# systems

unique_id: 5e301b68e2e32a0e01ea960fb254a943
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbS/Nb2S2-08e1b8d03139", "uid": "2NbS-5", "olduid": "Nb2S2-08e1b8d03139", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.723750175738246, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.553154808273933, "efermi": -5.061306307223137, "minhessianeig": -1.2135294050117273, "dyn_stab": "No", "alphax_el": 47.78684389394146, "alphay_el": 47.73350404765689, "alphaz_el": 0.5947628745475064, "plasmafrequency_x": 4.66901698312998, "plasmafrequency_y": 4.678572935688061, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5600426733832653, "hform": -0.48526591511137696}


unique_id: 5d93e4cfe22df2e3b937dd13eca5bf56
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbS/Nb2S2-31254123feb9", "uid": "2NbS-2", "olduid": "Nb2S2-31254123feb9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.44997077729072, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.994448388628672, "efermi": -3.8425433431046776, "minhessianeig": -1.56116325817233e-14, "dyn_stab": "Yes", "alphax_el": 12.809831263628794, "alphay_el": 13.060590203092188, "alphaz_el": 0.3814092058860411, "plasmafrequency_x": 4.557555910366351, "plasmafrequency_y": 4.581190311976449, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3226019810467373, "hform": -0.7227066074479049}


unique_id: eb23e2e7566eb5e35da2418b9995daad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbS/Nb2S2-58c4219ecbbe", "uid": "2NbS-4", "olduid": "Nb2S2-58c4219ecbbe", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.3444103951524236, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.9557364622889772, "efermi": -5.036193488074225, "minhessianeig": -2.752735165536039, "dyn_stab": "No", "alphax_el": 9.953372024604093, "alphay_el": 10.028873055419755, "alphaz_el": 0.4075879544395015, "plasmafrequency_x": 10.487548902081004, "plasmafrequency_y": 10.49037170288726, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.476923104272847, "hform": -0.5683854842217952}


unique_id: 223de780d0f5f180f5ef4c5fe84cc7ff
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbS/Nb2S2-9de6bc41c8d9", "uid": "2NbS-3", "olduid": "Nb2S2-9de6bc41c8d9", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.22230348143957, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.806039985506155, "efermi": -5.396258901754995, "minhessianeig": -1.2621354681204946e-13, "dyn_stab": "No", "alphax_el": 8.194505673003569, "alphay_el": 8.22588847642572, "alphaz_el": 4.605611672637975, "plasmafrequency_x": 8.429164320939865, "plasmafrequency_y": 8.54982034750167, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.40178887730403945, "hform": -0.6435197111906028}


unique_id: 54974b245ebd8c23bcc838e4ed988cc3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbS/Nb2S2-a03ba939c8ac", "uid": "2NbS-6", "olduid": "Nb2S2-a03ba939c8ac", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 5.848936671244747, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.649619115497872, "efermi": -5.298284965458256, "minhessianeig": -2.6427902345231034, "dyn_stab": "No", "alphax_el": 15.479135805801949, "alphay_el": 15.479135805801954, "alphaz_el": 0.8848670075793716, "plasmafrequency_x": 7.7185511245656375, "plasmafrequency_y": 7.71855112456564, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5797102869521988, "hform": -0.4655983015424434}


unique_id: 365ef5ea73937c3b7156805c700a4f8e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/NbS/Nb2S2-7aeab9fbea15", "uid": "2NbS-1", "olduid": "Nb2S2-b1c194e98ed0", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.601103876181136, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2758829720357121, "hform": -0.7694256164589302}


unique_id: 262736d1aa6c998ad500d7a6458933ce
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BiTl/Bi2Tl2-d6f31e6279ba", "uid": "2BiTl-1", "olduid": "Bi2Tl2-59c216a8b2f6", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.972190658478967, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.28899874280573146, "hform": 0.2784545863776158}


unique_id: 1b7fdbfb406b616dd0c5267c823918f2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AlSe/Al2Se2-129a514b51ad", "uid": "2AlSe-1", "olduid": "Al2Se2-129a514b51ad", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.922811148608773, "label": "original03-18", "gap": 1.9974652951471374, "gap_dir": 2.6448826490880077, "gap_dir_nosoc": 2.651033198227314, "evac": 3.819684972526627, "efermi": -4.826839292555775, "vbm": -5.825571940129343, "cbm": -3.8281066449822063, "minhessianeig": -3.314325001228525e-14, "dyn_stab": "Yes", "gap_hse": 2.7205808004028356, "gap_dir_hse": 3.4351333171241505, "efermi_hse": -4.636720861825675, "vbm_hse": -6.313186709574252, "cbm_hse": -3.592605909171416, "gap_gw": 3.537264053076093, "gap_dir_gw": 4.205609647164935, "efermi_gw": -5.263535863461243, "vbm_gw": -7.03216788999929, "cbm_gw": -3.4949038369231964, "E_B": 1.0958523121949413, "alphax_el": 3.6306191382170043, "alphay_el": 3.6306191382170057, "alphaz_el": 0.5167602991161515, "alphax_lat": 1.737603220545311, "alphax": 5.368222358762315, "alphay_lat": 1.7371873745475943, "alphay": 5.3678065127646, "alphaz_lat": 0.021461063311878116, "alphaz": 0.5382213624280296, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -0.7172024744747607}


unique_id: 38b8a3c8c207295a4cf1eab65db331dd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AlSe/Al2Se2-136900211245", "uid": "2AlSe-2", "olduid": "Al2Se2-136900211245", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.899027927013968, "label": "original03-18", "gap": 2.137777777170184, "gap_dir": 2.7104650308828626, "gap_dir_nosoc": 2.724873450252308, "evac": 3.79988180645023, "efermi": -4.723297202653855, "vbm": -5.792186091238947, "cbm": -3.6544083140687627, "minhessianeig": -1.2150314771264516e-14, "dyn_stab": "Yes", "gap_hse": 2.8660345473104964, "gap_dir_hse": 3.51450775281799, "efermi_hse": -4.472016202098089, "vbm_hse": -6.282708539700728, "cbm_hse": -3.416673992390232, "gap_gw": 3.7381853048320366, "gap_dir_gw": 4.349373339245651, "efermi_gw": -4.543385229741459, "vbm_gw": -7.035508766177793, "cbm_gw": -3.2973234613457567, "alphax_el": 3.4857715066033688, "alphay_el": 3.486328360916741, "alphaz_el": 0.5158813326838716, "alphax_lat": 1.8126205119558887, "alphax": 5.298392018559257, "alphay_lat": 1.8124576909024916, "alphay": 5.298786051819232, "alphaz_lat": 0.021131338002991, "alphaz": 0.5370126706868626, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.005796817010574884, "hform": -0.7114056574641858}


unique_id: d84df8b4eb6b72eade5478eeb534f885
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AlSe/Al2Se2-abdd54f8c191", "uid": "2AlSe-5", "olduid": "Al2Se2-abdd54f8c191", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 1.1597656168760295e-10, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.1644544558423227, "efermi": -3.4926972807689305, "minhessianeig": -0.2518815901555668, "dyn_stab": "No", "alphax_el": 1.6069369272746532, "alphay_el": 1.6069369272746532, "alphaz_el": 0.22267960279019938, "plasmafrequency_x": 10.456208640452473, "plasmafrequency_y": 10.456208640452473, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5739368181102984, "hform": -0.1432656563644623}


unique_id: 596c63c9b6a93d3fcdb0c95727926914
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AlSe/Al2Se2-22f91230bb3e", "uid": "2AlSe-3", "olduid": "Al2Se2-812d7e985061", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.220616332112046, "label": "Lyngby22_LDP", "gap": 1.642134436613111, "gap_dir": 2.5840197946479107, "gap_dir_nosoc": 2.5983589241632297, "evac": 1.4635605838832055, "efermi": -4.336831755539498, "vbm": -5.157898973846052, "cbm": -3.5157645372329416, "minhessianeig": -3.7885915191857835e-15, "dyn_stab": "Yes", "gap_hse": 2.3560852780180976, "gap_dir_hse": 3.360401540454757, "efermi_hse": -4.411088455165688, "vbm_hse": -5.589131094174737, "cbm_hse": -3.233045816156639, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03188077272013423, "hform": -0.6853217017546265}


unique_id: 53d7c09e4ebc2b0fc5380f4285011be5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AlSe/Al2Se2-b3656a73d6f6", "uid": "2AlSe-4", "olduid": "Al2Se2-f7ceac809dc4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.953803825843927, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.35739558315538655, "hform": -0.35980689131937416}


unique_id: ee92b1c9b3fa52db4249e34404c6f9b6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GeH/Ge2H2-c6017e131897", "uid": "2GeH-1", "olduid": "Ge2H2-c6017e131897", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.861693496019293, "label": "original03-18", "gap": 0.9200963558790143, "gap_dir": 0.9200963558790143, "gap_dir_nosoc": 1.0181530608387537, "evac": 1.9646242544393955, "efermi": -4.414320845646151, "vbm": -4.8743690235856585, "cbm": -3.954272667706644, "minhessianeig": -3.8086693207031755e-14, "dyn_stab": "Yes", "gap_hse": 1.4883506343670962, "gap_dir_hse": 1.4883506343670962, "efermi_hse": -4.460965640608771, "vbm_hse": -5.2182371804629035, "cbm_hse": -3.729886546095807, "gap_gw": 2.35348848688352, "gap_dir_gw": 2.35348848688352, "efermi_gw": -4.5561251841700745, "vbm_gw": -5.732869427612135, "cbm_gw": -3.3793809407286153, "E_B": 0.3852096920160507, "alphax_el": 2.8289630453028285, "alphay_el": 2.8289630453059367, "alphaz_el": 0.2834318236597737, "alphax_lat": 0.7125738584652245, "alphax": 3.541536903768053, "alphay_lat": 0.7143463308576187, "alphay": 3.5433093761635552, "alphaz_lat": 0.00557830241106255, "alphaz": 0.28901012607083626, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "doi": "10.1021/nn4009406", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08242257688746202, "hform": 0.08242257688746202}


unique_id: e02b381952e3494364bceb4c845dcb7d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/CaS/Ca2S2-37daed95967f", "uid": "2CaS-1", "olduid": "Ca2S2-ed84aad52293", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.9786537831718256, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.19239961578895493, "hform": -1.9850409577751518}


unique_id: 1200b92cbdea405eaa18dcf0f3a6add3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrZr/Br2Zr2-f703da1e62c8", "uid": "2BrZr-4", "olduid": "Br2Zr2-f703da1e62c8", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.016833141434535, "label": "original03-18", "gap": 0.04498351427892122, "gap_dir": 0.04498351427892888, "gap_dir_nosoc": 0.0, "evac": 3.52706282521755, "efermi": -2.7993690879260016, "vbm": -2.821860845065462, "cbm": -2.776877330786541, "minhessianeig": -0.30595374169754114, "dyn_stab": "No", "gap_hse": 0.0445888995147109, "gap_dir_hse": 0.0445888995147109, "efermi_hse": -2.668230242260197, "vbm_hse": -2.6905246920175525, "cbm_hse": -2.6459357925028417, "alphax_el": 34.743218252079004, "alphay_el": 34.85775702469495, "alphaz_el": 0.4362099734344713, "plasmafrequency_x": 0.1971954123371104, "plasmafrequency_y": 0.5573516659385226, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.6974054785742654, "hform": -0.34142210193301903}


unique_id: f3a244e7ef781a9bc958da4ae4151af8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrZr/Br2Zr2-842b657648e3", "uid": "2BrZr-3", "olduid": "Br2Zr2-842b657648e3", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.9896780058001466, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.44373124292785, "efermi": -3.820420035501818, "minhessianeig": -0.6773863195659621, "dyn_stab": "No", "alphax_el": 11.29533925725581, "alphay_el": 11.295339257255804, "alphaz_el": 0.39105427664338915, "plasmafrequency_x": 7.094636035855267, "plasmafrequency_y": 7.094636035855267, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.45510381672035916, "hform": -0.5837237637869253}


unique_id: af0350faa47215f44bb8b4061e9141a0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Zr2Br2", "uid": "2BrZr-2", "olduid": "Br2Zr2-f379db2a4682", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.35385683061048, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.968501703525953, "efermi": -4.084454852174773, "minhessianeig": -7.0925437832105e-15, "dyn_stab": "Yes", "alphax_el": 31.36515088823024, "alphay_el": 31.45469041670149, "alphaz_el": 0.6083600875020988, "plasmafrequency_x": 5.323682357292462, "plasmafrequency_y": 5.329196645620542, "icsd_id": 35700, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06769748797235664, "hform": -0.9711300925349278}


unique_id: 3e3859758dada3bdc9592b82d3689aeb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Zr6Br6", "uid": "2BrZr-1", "olduid": "Br2Zr2-9f1f7cc976e2", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.1195092714397035, "label": "exfoliated02-21", "gap": 0.00022248063182539468, "gap_dir": 0.04491230934841417, "gap_dir_nosoc": 0.0, "evac": 2.8290355633991693, "efermi": -3.462688431731373, "vbm": -3.4627996720472853, "cbm": -3.46257719141546, "minhessianeig": -2.605160245313254e-15, "dyn_stab": "Yes", "alphax_el": 65.34279469348377, "alphay_el": 65.34279469348378, "alphaz_el": 0.58687539566236, "plasmafrequency_x": 1.5291213067852745, "plasmafrequency_y": 1.5291213067852751, "cod_id": 4343762, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.0, "hform": -1.0388275805072844}


unique_id: 277b21737103cadab2134b7767c7f206
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoI/Co2I2-8ae8bdf96f94", "uid": "2CoI-2", "olduid": "Co2I2-8ae8bdf96f94", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.1118867656252105, "label": "original03-18", "gap": 0.03661711474733276, "gap_dir": 0.04227761906839622, "gap_dir_nosoc": 0.0, "evac": 4.135032417042138, "efermi": -3.8544360549387666, "vbm": -3.872744612312433, "cbm": -3.8361274975651005, "minhessianeig": -6.983838249596181e-15, "dyn_stab": "Yes", "alphax_el": 74.6608371206941, "alphay_el": 71.71309651339375, "alphaz_el": 0.5843703725020443, "plasmafrequency_x": 1.5298297331781308, "plasmafrequency_y": 1.9195484235604512, "is_magnetic": true, "spin_axis": "x", "dE_zx": 1.8212108592194909, "dE_zy": 1.8156232223702773, "J": 99.72895569130458, "lam": -0.42644228313785487, "A": -0.6204760775858631, "spin": 1.0, "N_nn": 3, "topology": "C=2", "ehull": 0.282909550893398, "hform": 0.19091253157164356}


unique_id: 6a0a672b9ffbc0735c507fdbe0a3b9b6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoI/Co2I2-87e7bd18d379", "uid": "2CoI-3", "olduid": "Co2I2-87e7bd18d379", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.428960991305865, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.521499918466784, "efermi": -3.5693425347439, "minhessianeig": -1.7090957263917732, "dyn_stab": "No", "is_magnetic": true, "spin_axis": "y", "dE_zx": 4.517322077788322, "dE_zy": 4.517689459447638, "J": 67.53626963605086, "lam": -1.2216998525680367, "A": 0.2600149900757742, "spin": 1.0, "N_nn": 4, "ehull": 0.3230596926852186, "hform": 0.2310626733634642}


unique_id: 31837c80bc623fd82d761976c5187bdd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/CoI/Co2I2-548f3e6e97c4", "uid": "2CoI-1", "olduid": "Co2I2-d545c814f2b9", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 3.3951504993965322, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.27950018473878957, "hform": 0.18750316541703516}


unique_id: 4ee9422d0d0d156f054fb45ecb603a4b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FTl/F4Tl4-f2f19bbb02e3", "uid": "4FTl-1", "olduid": "F4Tl4-6a959b02eb34", "international": "Pbcm", "number": 57, "has_inversion_symmetry": true, "lgnum": 45, "layergroup": "pbma", "bravais_type": "Rectangular (op)", "thickness": 3.136668189993763, "label": "Wang23", "gap": 3.571153345821566, "gap_dir": 3.605767962475068, "gap_dir_nosoc": 3.801472876001209, "evac": 2.5984519384536173, "efermi": -4.012572660615317, "vbm": -5.7981493335261, "cbm": -2.2269959877045338, "minhessianeig": -1.278068303822465e-13, "dyn_stab": "Yes", "gap_hse": 4.709213540407857, "gap_dir_hse": 4.8070624180720785, "efermi_hse": -4.300081721902986, "vbm_hse": -6.654688492106915, "cbm_hse": -1.945474951699058, "alphax_el": 1.230216231897672, "alphay_el": 1.2619401323688808, "alphaz_el": 0.36155741016078485, "alphax_lat": 6.446424120155082, "alphax": 7.676640352052754, "alphay_lat": 15.797857136014747, "alphay": 17.059797268383626, "alphaz_lat": 0.12216972514202086, "alphaz": 0.4837271353028057, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.00021296500795608964, "hform": -1.8236673085823676}


unique_id: afc5ac620585a5326f25bea5206ad90e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FTl/F4Tl4-83de36157de4", "uid": "4FTl-4", "olduid": "F4Tl4-576650d57fba", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 4.716534886057231, "label": "Wang23", "gap": 2.209189951105005, "gap_dir": 2.5517863735776904, "gap_dir_nosoc": 2.770820026897793, "evac": 2.729448574132924, "efermi": -4.268743635842213, "vbm": -5.373338611394716, "cbm": -3.164148660289711, "minhessianeig": -0.04261516035976376, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08553693932072237, "hform": -1.7383433342696013}


unique_id: 18ee2d97b4fd7c4c03151b4d9c5a562d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FTl/F4Tl4-6ad709d22584", "uid": "4FTl-3", "olduid": "F4Tl4-014bd9c8303b", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 7.03271765006809, "label": "Wang23", "gap": 1.9941985048265591, "gap_dir": 1.9941985048265591, "gap_dir_nosoc": 2.19540746373415, "evac": 3.0259274381560877, "efermi": -3.898909461927367, "vbm": -4.896008714340647, "cbm": -2.901810209514088, "minhessianeig": -0.03479053559521341, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07226806520292195, "hform": -1.7516122083874017}


unique_id: bf869dd501e0d3adf11ca327a7e05e50
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FTl/F4Tl4-fa34a458490d", "uid": "4FTl-2", "olduid": "F4Tl4-0fe197dbcc29", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.261794001880234, "label": "Wang23", "gap": 3.3617870093509437, "gap_dir": 3.5449580974891335, "gap_dir_nosoc": 3.7155754814818387, "evac": 2.501764007761995, "efermi": -3.8847505012494863, "vbm": -5.565644005924958, "cbm": -2.2038569965740145, "minhessianeig": -1.3430884293983633e-14, "dyn_stab": "Yes", "gap_hse": 4.473610776909267, "gap_dir_hse": 4.644726602271548, "efermi_hse": -4.203606166956179, "vbm_hse": -6.440411555410813, "cbm_hse": -1.966800778501546, "alphax_el": 1.1451485500744263, "alphay_el": 1.266296260430805, "alphaz_el": 0.35741127909933956, "alphax_lat": 6.719693102301732, "alphax": 7.864841652376159, "alphay_lat": 12.683438788940368, "alphay": 13.949735049371172, "alphaz_lat": 0.11627557163424972, "alphaz": 0.4736868507335893, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0173497067477415, "hform": -1.8065305668425822}


unique_id: a2fa6d6064bf8813e576ca9048f6d041
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbO/Nb2O2-63e4447584bc", "uid": "2NbO-3", "olduid": "Nb2O2-63e4447584bc", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.364654554011782, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.2851553430933698, "efermi": -4.726828755181426, "minhessianeig": -7.80699069633139, "dyn_stab": "No", "alphax_el": 8.4116838924334, "alphay_el": 8.45016984061753, "alphaz_el": 0.3441507080539333, "plasmafrequency_x": 9.348571476074573, "plasmafrequency_y": 9.356297235520127, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.0626487630866581, "hform": -1.0181287244298023}


unique_id: e571f11f6ff9ce47ba51b90308b0f1ca
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbO/Nb2O2-b9c0d505df57", "uid": "2NbO-1", "olduid": "Nb2O2-b9c0d505df57", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.488563698125585, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.721207892815845, "efermi": -4.754000227952693, "minhessianeig": -6.983276053339813, "dyn_stab": "No", "alphax_el": 22.437067739483393, "alphay_el": 22.437067739483396, "alphaz_el": 0.9703999086359452, "plasmafrequency_x": 7.267382226758858, "plasmafrequency_y": 7.26738222675886, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5520235803652689, "hform": -1.5287539071511915}


unique_id: 31a9e7e2d15b9d96203d90cc2bbcdfbc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NbO/Nb2O2-d6da6b621fc8", "uid": "2NbO-2", "olduid": "Nb2O2-d6da6b621fc8", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 2.1564636346452906, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.0050279199590597, "efermi": -4.616389210343325, "minhessianeig": -2.5139369725446245e-11, "dyn_stab": "Yes", "alphax_el": 39.31083231223743, "alphay_el": 15.587600032616496, "alphaz_el": 0.29768059638784217, "plasmafrequency_x": 2.6974363744671117, "plasmafrequency_y": 3.103330646247513, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7758941779996782, "hform": -1.3048833095167822}


unique_id: cba8cde31223c1b2681b1cd397d55d7d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgBi/Ag4Bi4-319fe56f5c2b", "uid": "4AgBi-1", "olduid": "Ag4Bi4-9815b75867da", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 5.385972939014781, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.10487962596979461, "hform": 0.10487962596979461}


unique_id: fac178b90c165b396686619cc4efcdad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaTe/Ga2Te2-1b0b43b113f5", "uid": "2GaTe-2", "olduid": "Ga2Te2-1b0b43b113f5", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.988653740665915, "label": "original03-18", "gap": 1.2693666930958636, "gap_dir": 1.3207061728188871, "gap_dir_nosoc": 1.487682495200204, "evac": 3.600902097626183, "efermi": -4.529080102858032, "vbm": -5.163763449405964, "cbm": -3.8943967563101003, "minhessianeig": -2.5248570972316723e-14, "dyn_stab": "Yes", "gap_hse": 1.8364742891137533, "gap_dir_hse": 1.9307896521541197, "efermi_hse": -4.572290788281563, "vbm_hse": -5.525671511785472, "cbm_hse": -3.689197222671719, "alphax_el": 5.627289009884733, "alphay_el": 5.599743787997959, "alphaz_el": 0.5687377497547602, "alphax_lat": 2.120308805486589, "alphax": 7.747597815371322, "alphay_lat": 2.120699770844865, "alphay": 7.720443558842824, "alphaz_lat": 0.010041550096903154, "alphaz": 0.5787792998516633, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.005824670797448583, "hform": -0.3679536880770309}


unique_id: 999755271d956d2f8f3b334a074f54f7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaTe/Ga2Te2-55c23ca88a05", "uid": "2GaTe-1", "olduid": "Ga2Te2-55c23ca88a05", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 5.019914359803075, "label": "original03-18", "gap": 1.2966556208609772, "gap_dir": 1.4868972274631593, "gap_dir_nosoc": 1.681190139068233, "evac": 3.7699526120241966, "efermi": -4.520218014792186, "vbm": -5.168545825222674, "cbm": -3.8718902043616974, "minhessianeig": -2.5825396535733543e-13, "dyn_stab": "Yes", "gap_hse": 1.861535360406339, "gap_dir_hse": 2.1165946214182263, "efermi_hse": -4.573928134993822, "vbm_hse": -5.531305005162865, "cbm_hse": -3.6697696447565264, "gap_gw": 2.617097678288353, "gap_dir_gw": 2.8586355921558457, "efermi_gw": -4.734654724161643, "vbm_gw": -6.043203563305819, "cbm_gw": -3.426105885017466, "E_B": 0.45391406785910116, "alphax_el": 5.547915483520541, "alphay_el": 5.547915483520548, "alphaz_el": 0.5705531342518667, "alphax_lat": 1.906212159938083, "alphax": 7.454127643458624, "alphay_lat": 1.906863502612079, "alphay": 7.454778986132627, "alphaz_lat": 0.011444891378141335, "alphaz": 0.581998025630008, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "icsd_id": 43328, "doi": "10.1088/2053-1583/2/3/035010", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0022034272881524264, "hform": -0.37157493158632704}


unique_id: 652a7a9e2bb0968d82e06a98066804fb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaTe/Ga2Te2-ad9124d494cc", "uid": "2GaTe-6", "olduid": "Ga2Te2-ad9124d494cc", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.181930274820388e-08, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.2659738253815673, "efermi": -4.405648589148614, "minhessianeig": -0.40519572542952265, "dyn_stab": "No", "alphax_el": 3.256900766749632, "alphay_el": 3.25690076674963, "alphaz_el": 0.22911781908143194, "plasmafrequency_x": 11.21524962839841, "plasmafrequency_y": 11.215249628398414, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.36225356578628604, "hform": -0.01152479308819343}


unique_id: 4313ac509d567399ece4328df7a78633
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaTe/Ga2Te2-d3869e6009c6", "uid": "2GaTe-5", "olduid": "Ga2Te2-d3869e6009c6", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.4326311977946586, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.8831494240135545, "efermi": -3.9645002673632534, "minhessianeig": -1.8514317415493026e-15, "dyn_stab": "No", "alphax_el": 5.038122510938456, "alphay_el": 5.036015083143969, "alphaz_el": 0.441430072336798, "plasmafrequency_x": 7.527865963829593, "plasmafrequency_y": 7.5496267188202655, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.20221839362017252, "hform": -0.17155996525430695}


unique_id: b3ddf9189bf31982768ce6efdb9ffe24
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GaTe/Ga2Te2-c56d3003cedd", "uid": "2GaTe-3", "olduid": "Ga2Te2-9ae091933425", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.5743499308913194, "label": "Lyngby22_LDP", "gap": 0.9459804335042952, "gap_dir": 1.2394770827378139, "gap_dir_nosoc": 1.3797647687695984, "evac": 1.5763837940235956, "efermi": -4.4673297311608895, "vbm": -4.940319947913037, "cbm": -3.9943395144087415, "minhessianeig": -6.140020250753951e-16, "dyn_stab": "Yes", "gap_hse": 1.41200798357865, "gap_dir_hse": 1.7879090074919106, "efermi_hse": -4.531798129322196, "vbm_hse": -5.237802121111521, "cbm_hse": -3.8257941375328715, "alphax_el": 3.810724208361498, "alphay_el": 3.9618534942499966, "alphaz_el": 0.42090604855190644, "alphax_lat": 1.9048998573441216, "alphax": 5.71562406570562, "alphay_lat": 3.4016044575666258, "alphay": 7.363457951816622, "alphaz_lat": 0.0070874847959835115, "alphaz": 0.42799353334789, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05291843479959618, "hform": -0.3208599240748833}


unique_id: db07b412c64178589caf9dadbbc14ec2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GaTe/Ga2Te2-8e0fad92bd13", "uid": "2GaTe-4", "olduid": "Ga2Te2-3b7fc020e482", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.346980182785728, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1615773318081189, "hform": -0.21220102706636057}


unique_id: ab476a6fa02b31cfb1751489e6268ea0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MnO/Mn2O2-2dbd604f46ed", "uid": "2MnO-1", "olduid": "Mn2O2-2dbd604f46ed", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 1.9338655421066244, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.381697063705597, "efermi": -5.1314774426847585, "minhessianeig": -3.2007821952433125e-11, "dyn_stab": "Yes", "alphax_el": 10.017698367675282, "alphay_el": 8.733254526695896, "alphaz_el": 0.2148426894120963, "plasmafrequency_x": 3.90828701652211, "plasmafrequency_y": 4.775463897526074, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.717167637503735, "dE_zy": -0.6009104356508033, "ehull": 0.2509578535049293, "hform": -1.0983069492904054}


unique_id: 7249155f561c060971bdc76b74b93d70
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MnO/Mn2O2-b2c73ae37da5", "uid": "2MnO-2", "olduid": "Mn2O2-b2c73ae37da5", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.5143311188910484, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.819975415128329, "efermi": -4.906510645594521, "minhessianeig": -1.0143936714896592e-14, "dyn_stab": "Yes", "alphax_el": 24.457701871585453, "alphay_el": 24.457701871585435, "alphaz_el": 2.6500462492832564, "plasmafrequency_x": 5.607108614353266, "plasmafrequency_y": 5.607108614353266, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.4051496023294021, "dE_zy": -0.40813651776261395, "J": 170.10286879622072, "lam": 0.8926034747673839, "A": 0.0, "spin": 0.5, "N_nn": 1, "ehull": 0.363693939267679, "hform": -0.9855708635276557}


unique_id: d6876ef14c7585b30c502153d40b6cac
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/MnO/Mn2O2-250174a5397c", "uid": "2MnO-4", "olduid": "Mn2O2-71f44fea532f", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 2.2969547972158155, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.6156487980457299, "hform": -0.7336160047496048}


unique_id: 425038ab54328d0986a48d722db04d31
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/MnO/Mn2O2-8a3fcf7c930d", "uid": "2MnO-3", "olduid": "Mn2O2-25ca8d317a00", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.529743238375352, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3669964408949695, "hform": -0.9822683619003652}


unique_id: 914bdb0f661f5811d6aca8a1912e4184
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OSc/O2Sc2-46ca18af9edd", "uid": "2OSc-2", "olduid": "O2Sc2-46ca18af9edd", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.5019179904979687, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.148423491620766, "efermi": -3.246749164674594, "minhessianeig": -1.388762670533458e-10, "dyn_stab": "Yes", "alphax_el": 2.2656777411588567, "alphay_el": 2.267319469748915, "alphaz_el": 0.34481193251832715, "plasmafrequency_x": 7.1599052442897335, "plasmafrequency_y": 7.160103531577036, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5009076963105881, "hform": -2.5122993833222056}


unique_id: 13738dd413a64559322ee9993ae49fb5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OSc/O2Sc2-b757b8efeeab", "uid": "2OSc-1", "olduid": "O2Sc2-b757b8efeeab", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.404667343912067, "label": "original03-18", "gap": 0.6998284919246344, "gap_dir": 0.7053659809578133, "gap_dir_nosoc": 0.7054852339745108, "evac": 3.281904488703134, "efermi": -3.413080919494154, "vbm": -3.7629951654564713, "cbm": -3.063166673531837, "minhessianeig": -0.03684484762054072, "dyn_stab": "No", "gap_hse": 1.1937239071608414, "gap_dir_hse": 1.1967542670067441, "efermi_hse": -3.0193069772747827, "vbm_hse": -3.638609600933437, "cbm_hse": -2.4448856937725956, "gap_gw": 1.354528487087474, "gap_dir_gw": 1.354528487087474, "efermi_gw": -3.1118262338700413, "vbm_gw": -3.8091472348775843, "cbm_gw": -2.4546187477901102, "E_B": 0.6395519652825769, "alphax_el": 9.789092471740004, "alphay_el": 9.789092471739993, "alphaz_el": 0.4144382287292992, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.249039059939546, "hform": -2.7641680196932477}


unique_id: edbbcb371675b023aaf1a23a684dbd22
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OSc/O2Sc2-b7d098851038", "uid": "2OSc-3", "olduid": "O2Sc2-b7d098851038", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 1.2053368387713022, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.8719746993991455, "efermi": -3.4626629044971144, "minhessianeig": -1.3957043330121457, "dyn_stab": "No", "alphax_el": 15.892883769052194, "alphay_el": 11.356071744071398, "alphaz_el": 0.26813552606700175, "plasmafrequency_x": 2.406356633164555, "plasmafrequency_y": 5.437873312671992, "is_magnetic": true, "spin_axis": "y", "dE_zx": 1.5288605936802924e-05, "dE_zy": 0.0002918937980211922, "ehull": 0.6614486355201454, "hform": -2.3517584441126482}


unique_id: 69575083673e7ec6bfe62c53df5c9944
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HgO/Hg2O2-fe912f39bb82", "uid": "2HgO-1", "olduid": "Hg2O2-32f2fdeb64d1", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.7769516264512717, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14501340248451394, "hform": -0.210967225659783}


unique_id: 5eec249342451321d5db8e44b53e4f93
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Pb4O4_1", "uid": "4OPb-1", "olduid": "O4Pb4-c8f752b55102", "international": "Pca2_1", "number": 29, "has_inversion_symmetry": false, "lgnum": 33, "layergroup": "pb2_1a", "bravais_type": "Rectangular (op)", "thickness": 2.652936986354062, "label": "exfoliated02-21", "gap": 2.614160573133381, "gap_dir": 2.892582437508321, "gap_dir_nosoc": 3.210877743400428, "evac": 1.5869107019911666, "efermi": -3.595051723652237, "vbm": -4.902132010218928, "cbm": -2.2879714370855466, "minhessianeig": 2.0147033205140058e-16, "dyn_stab": "Yes", "gap_hse": 3.730795456774873, "gap_dir_hse": 4.081273837683219, "efermi_hse": -3.8850427475552793, "vbm_hse": -5.750440475942716, "cbm_hse": -2.019645019167843, "alphax_el": 1.800330484576414, "alphay_el": 1.8969927070623178, "alphaz_el": 0.3749666315541823, "alphax_lat": 2.8961983522498507, "alphax": 4.696528836826265, "alphay_lat": 5.0456876376713025, "alphay": 6.9426803447336205, "alphaz_lat": 0.033239593207664536, "alphaz": 0.40820622476184687, "icsd_id": 36250, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 290.1196492018443, "ehull": 0.007039757632467003, "hform": -1.1560301137908757}


unique_id: 9d6426fbf32826d58c43b19c8a536925
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/OPb/O4Pb4-c8919b57ab6d", "uid": "4OPb-2", "olduid": "O4Pb4-23b6f3c3a21d", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 4.174759980976834, "label": "Wang23", "gap": 2.269346876271351, "gap_dir": 2.333921943818813, "gap_dir_nosoc": 2.6993778710183225, "evac": 3.0112374596369795, "efermi": -3.709736207868547, "vbm": -4.844409646004223, "cbm": -2.5750627697328716, "minhessianeig": -5.871344877583533e-16, "dyn_stab": "Yes", "gap_hse": 3.1248675320869603, "gap_dir_hse": 3.31687765600694, "efermi_hse": -3.945770535055702, "vbm_hse": -5.508204301099182, "cbm_hse": -2.383336769012222, "alphax_el": 2.1876741786517817, "alphay_el": 2.3356023292490127, "alphaz_el": 0.45021305649550747, "alphax_lat": 4.67777780222027, "alphax": 6.865451980872051, "alphay_lat": 3.8329504135785677, "alphay": 6.168552742827581, "alphaz_lat": 0.1200709784781773, "alphaz": 0.5702840349736847, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06442296718999363, "hform": -1.098646904233349}


unique_id: f9b33a8d95bf29e10e288eada8d7d795
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PbTe/Pb2Te2-fdc4a7cc1d0d", "uid": "2PbTe-1", "olduid": "Pb2Te2-fdc4a7cc1d0d", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.337912447723528, "label": "original03-18", "gap": 0.4453871101083335, "gap_dir": 0.4455763849017276, "gap_dir_nosoc": 1.2810990512202651, "evac": 3.7089573226190073, "efermi": -4.256460957170302, "vbm": -4.4791545122244685, "cbm": -4.033767402116135, "minhessianeig": -3.4908964354446634e-13, "dyn_stab": "Yes", "gap_hse": 0.8778946428416765, "gap_dir_hse": 0.8781854582243203, "efermi_hse": -4.283494740675585, "vbm_hse": -4.722442062096423, "cbm_hse": -3.8445474192547464, "gap_gw": 1.246060092501092, "gap_dir_gw": 1.2462525416102315, "efermi_gw": -4.479242885726426, "vbm_gw": -5.102272931976971, "cbm_gw": -3.8562128394758797, "E_B": 0.44163689105205295, "alphax_el": 12.15027436176089, "alphay_el": 12.138640684929292, "alphaz_el": 0.4548884787833583, "alphax_lat": 126.13315525525196, "alphax": 138.28342961701284, "alphay_lat": 127.11358152981738, "alphay": 139.25222221474667, "alphaz_lat": 0.02409517822180802, "alphaz": 0.4789836570051663, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "icsd_id": 648582, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.07499368598771872, "hform": -0.34610404769762626}


unique_id: 87ffe667f6c153a09a0fd4964b89ca27
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PbTe/Pb2Te2-538c4ff6b6b4", "uid": "2PbTe-3", "olduid": "Pb2Te2-538c4ff6b6b4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.1517233705685728, "label": "original03-18", "gap": 0.05005514879414186, "gap_dir": 0.46716644214007186, "gap_dir_nosoc": 0.8363672905178803, "evac": 2.601357333815603, "efermi": -4.719331437431769, "vbm": -4.74435901182884, "cbm": -4.6943038630346985, "minhessianeig": -0.8294303380242812, "dyn_stab": "No", "gap_hse": 0.3851114075572808, "gap_dir_hse": 0.9197046894620429, "efermi_hse": -4.756381842513023, "vbm_hse": -4.939023616444258, "cbm_hse": -4.5539122088869775, "E_B": 0.7173348330028528, "alphax_el": 4.622552458433972, "alphay_el": 4.621012425646044, "alphaz_el": 0.3634831001680692, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.26031855601075016, "hform": -0.16077917767459482}


unique_id: 4681903c8b4ea05406cfd3ef4a3d534d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PbTe/Pb2Te2-8541bd4f0edd", "uid": "2PbTe-2", "olduid": "Pb2Te2-8541bd4f0edd", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.3600942552335606, "label": "original03-18", "gap": 0.43407157947419783, "gap_dir": 1.0605187868002022, "gap_dir_nosoc": 1.8105965326712792, "evac": 2.7571083384466633, "efermi": -4.116054610318417, "vbm": -4.333090400055516, "cbm": -3.8990188205813183, "minhessianeig": -1.0766276897630454e-15, "dyn_stab": "No", "gap_hse": 0.8645070315508245, "gap_dir_hse": 1.5191769933744137, "efermi_hse": -4.138889923033624, "vbm_hse": -4.5711434388090355, "cbm_hse": -3.7066364072582108, "alphax_el": 4.278072586344092, "alphay_el": 4.284132610057628, "alphaz_el": 0.43394711723048546, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.16820425264917294, "hform": -0.25289348103617204}


unique_id: e3c45ea5604d25afc4c79b230f10907b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PbTe/Pb2Te2-ab2cf4e20fec", "uid": "2PbTe-5", "olduid": "Pb2Te2-ab2cf4e20fec", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 5.324113279422692, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.1281240397670995, "efermi": -5.107113733596117, "minhessianeig": -1.1507304103508278, "dyn_stab": "No", "alphax_el": 32.33731507577618, "alphay_el": 16.808440844834507, "alphaz_el": 0.5924394425185987, "plasmafrequency_x": 8.811662170874209, "plasmafrequency_y": 14.306515355091953, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4813216008565817, "hform": 0.060223867171236733}


unique_id: f350e5b1eeee68218fb7d714c4f50a4a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PbTe/Pb2Te2-dd0dba21843d", "uid": "2PbTe-4", "olduid": "Pb2Te2-dd0dba21843d", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 2.0630107400165798e-08, "label": "original03-18", "gap": 0.2712096819175829, "gap_dir": 0.41119859370923506, "gap_dir_nosoc": 0.15341050095781883, "evac": 2.2651461051539616, "efermi": -4.20204830468672, "vbm": -4.337653145645511, "cbm": -4.0664434637279285, "minhessianeig": -2.309279932823859, "dyn_stab": "No", "gap_hse": 0.2870910409180858, "gap_dir_hse": 0.2870910409180858, "efermi_hse": -4.357138039638044, "vbm_hse": -4.531577273574358, "cbm_hse": -4.244486232656272, "E_B": 0.3223093248114491, "alphax_el": 10.139738489966811, "alphay_el": 10.139738489966819, "alphaz_el": 0.23473544699735632, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "C_M=2", "ehull": 0.4292028017423357, "hform": 0.008105068056990739}


unique_id: 95e26850eaf4cb30078a9be6094ff833
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CuI/CuI-dcab076541e7", "uid": "1CuI-1", "olduid": "CuI-dcab076541e7", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 0.0, "label": "Lyngby22_LDP", "gap": 1.2670597944461095, "gap_dir": 1.2670597944461095, "gap_dir_nosoc": 1.3743817484090393, "evac": 1.00474627453796, "efermi": -4.127637055167065, "vbm": -4.761166952390119, "cbm": -3.4941071579440095, "minhessianeig": -0.13236079217254526, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08267076216550784, "hform": -0.08343510293596568}


unique_id: 48ad175dfbf8aaa91203fe77710e2eb0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FIn/F8In8-483aaca9da7f", "uid": "8FIn-1", "olduid": "F8In8-d5b4c7fbe546", "international": "Aem2", "number": 39, "has_inversion_symmetry": false, "lgnum": 36, "layergroup": "cm2e", "bravais_type": "Centered rectangular (oc)", "thickness": 3.073683289290689, "label": "Wang23", "gap": 1.6291407812426826, "gap_dir": 1.7464893005587716, "gap_dir_nosoc": 1.7552751622064329, "evac": 2.556524922341782, "efermi": -4.0063231016929315, "vbm": -4.820893492314273, "cbm": -3.1917527110715898, "minhessianeig": -0.3075975796543108, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.039667027086145445, "hform": -1.7232261366398198}


unique_id: f46336e2380f63a264568d146b44cd0c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FIn/F8In8-8cf0e2b72bcb", "uid": "8FIn-2", "olduid": "F8In8-6cd6e03be10e", "international": "Pma2", "number": 28, "has_inversion_symmetry": false, "lgnum": 31, "layergroup": "pm2a", "bravais_type": "Rectangular (op)", "thickness": 4.511002719498881, "label": "Wang23", "gap": 0.7978260967788955, "gap_dir": 0.7978260967788955, "gap_dir_nosoc": 0.8082113440353913, "evac": 2.105277546700038, "efermi": -4.0242734153984205, "vbm": -4.423186463787868, "cbm": -3.6253603670089722, "minhessianeig": -0.15595238696615513, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05731407937069122, "hform": -1.705579084355274}


unique_id: ca8de4dfe79791c3f8c03e5f9f9bcceb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClZr/Cl2Zr2-14bc47f10ec6", "uid": "2ClZr-4", "olduid": "Cl2Zr2-14bc47f10ec6", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.647061093100243, "label": "original03-18", "gap": 0.03645341801920854, "gap_dir": 0.03645341801921187, "gap_dir_nosoc": 0.0, "evac": 3.4255713622791024, "efermi": -2.4247815192321736, "vbm": -2.4430082282417778, "cbm": -2.4065548102225693, "minhessianeig": -0.20056581165574633, "dyn_stab": "No", "gap_hse": 0.03647860632743383, "gap_dir_hse": 0.03647860632743383, "efermi_hse": -2.259537267405908, "vbm_hse": -2.2777765705696247, "cbm_hse": -2.2412979642421913, "alphax_el": 28.175335968214934, "alphay_el": 28.50202263080146, "alphaz_el": 0.39167177351427485, "plasmafrequency_x": 0.2577118503957635, "plasmafrequency_y": 0.5345227792731363, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.7419945956190199, "hform": -0.5848613340553115}


unique_id: e7913d0df9ce33e85b1ff840858522df
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClZr/Cl2Zr2-9c9ff6500cae", "uid": "2ClZr-3", "olduid": "Cl2Zr2-9c9ff6500cae", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.660627812331338, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.387575286052292, "efermi": -4.038855964646998, "minhessianeig": -1.466655837287944, "dyn_stab": "No", "alphax_el": 11.472045733247606, "alphay_el": 11.472045733247612, "alphaz_el": 0.3392403294474519, "plasmafrequency_x": 7.284359270088907, "plasmafrequency_y": 7.284359270088907, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5854592371036498, "hform": -0.7413966925706816}


unique_id: 9f0728ed96398f57fede21bc2bca1252
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Zr2Cl2", "uid": "2ClZr-2", "olduid": "Cl2Zr2-b8382c030a92", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.104126995716161, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.019514524998357, "efermi": -4.455196824312468, "minhessianeig": -2.654710566980088e-15, "dyn_stab": "Yes", "alphax_el": 36.01582761402938, "alphay_el": 35.81631603407059, "alphaz_el": 0.5573416107149277, "plasmafrequency_x": 5.920461734636311, "plasmafrequency_y": 5.923549765676243, "icsd_id": 35701, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05597861119545833, "hform": -1.270877318478873}


unique_id: 67880c1d36f654ef850b5e4749609668
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Zr4Cl4", "uid": "2ClZr-1", "olduid": "Cl2Zr2-9add85fe5c1c", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.849986942393249, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.84033878483734, "efermi": -3.819947434306437, "minhessianeig": -1.2227810799675007e-14, "dyn_stab": "Yes", "alphax_el": 15.530959041784188, "alphay_el": 15.626321513394501, "alphaz_el": 0.5326760969511749, "plasmafrequency_x": 2.342936668040603, "plasmafrequency_y": 2.4270873106209687, "icsd_id": 868, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -1.3268559296743314}


unique_id: df1e60857435c8893f349eeb09655f7a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FHg/F2Hg2-ac16119902a3", "uid": "2FHg-1", "olduid": "F2Hg2-ac16119902a3", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.482320587431791, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7263614371382054, "efermi": -6.726327671123374, "minhessianeig": -0.15583750562381415, "dyn_stab": "No", "alphax_el": 6.695192590924528, "alphay_el": 7.058953047068431, "alphaz_el": 0.3750941150099431, "plasmafrequency_x": 3.70611952135146, "plasmafrequency_y": 3.762489277225647, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.19996254735894303, "hform": -1.1105316429466487}


unique_id: b4413139f9e1116cdec22b03fc3d22fc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClPd/Cl2Pd2-59df4d31e907", "uid": "2ClPd-2", "olduid": "Cl2Pd2-59df4d31e907", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.2196194783022705, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.842289024794139, "efermi": -5.6583741944879735, "minhessianeig": -0.07207058286288065, "dyn_stab": "No", "alphax_el": 24.535898346901362, "alphay_el": 27.294620434476858, "alphaz_el": 1.0903164035932458, "plasmafrequency_x": 4.311570857032791, "plasmafrequency_y": 4.314929942606108, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.35246415251615426, "hform": -0.033916862976797635}


unique_id: 9b9ff892866349405d1e8886794bd5fe
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClPd/Cl2Pd2-9086c24f93b7", "uid": "2ClPd-3", "olduid": "Cl2Pd2-9086c24f93b7", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.6422775533169522, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.311051995109576, "efermi": -6.365723528164904, "minhessianeig": -7.271687156804038, "dyn_stab": "No", "alphax_el": 10.276922094499046, "alphay_el": 10.276922094499053, "alphaz_el": 0.6560150104521961, "plasmafrequency_x": 3.7942897053489593, "plasmafrequency_y": 3.7942897053489593, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.45395132818483663, "hform": 0.06757031269188474}


unique_id: 5be41ff6f50e1d9b043d87505bbe1f66
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/ClPd/Cl2Pd2-84da3a9b5fbd", "uid": "2ClPd-1", "olduid": "Cl2Pd2-5ae6f8403434", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.060272728552911, "label": "Lyngby22_LDP", "gap": 0.15927074362907367, "gap_dir": 0.3236595207029409, "gap_dir_nosoc": 0.0, "evac": 3.9327621417958123, "efermi": -5.398134085858401, "vbm": -5.477769457672938, "cbm": -5.318498714043864, "minhessianeig": -2.4778471738045294e-15, "dyn_stab": "Yes", "alphax_el": 18.13238205908657, "alphay_el": 18.147039727067458, "alphaz_el": 0.4093771841213484, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.040046501990696814, "hform": -0.3463345135022551}


unique_id: 51d52f6a8f02f5488f253e2b47a09029
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgF/Ag2F2-0556adc9bc7b", "uid": "2AgF-3", "olduid": "Ag2F2-0556adc9bc7b", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.6543938582623081, "label": "original03-18", "gap": 0.5554658147731568, "gap_dir": 1.6923581662702372, "gap_dir_nosoc": 1.8522226223975848, "evac": 1.3587013066183662, "efermi": -4.80964424696052, "vbm": -5.087377154347099, "cbm": -4.531911339573941, "minhessianeig": -1.384069940052189, "dyn_stab": "No", "gap_hse": 2.4754459300139935, "gap_dir_hse": 3.7293994435251827, "efermi_hse": -5.3941055169556105, "vbm_hse": -6.631828482617978, "cbm_hse": -4.156382552603985, "E_B": 2.3697072743207555, "alphax_el": 0.7619680127022327, "alphay_el": 0.7619680127022326, "alphaz_el": 0.15188846611231763, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.10123339387538888, "hform": -0.9132591720415464}


unique_id: 746d37050dca5a9617397f24165b0807
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgF/Ag2F2-44f6ed525a5a", "uid": "2AgF-2", "olduid": "Ag2F2-44f6ed525a5a", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.1315490406593103, "label": "original03-18", "gap": 0.49761194632282413, "gap_dir": 1.4088078522136147, "gap_dir_nosoc": 1.4858922745395855, "evac": 2.514573388866954, "efermi": -5.664421111025402, "vbm": -5.913227084186815, "cbm": -5.41561513786399, "minhessianeig": -0.27144630928579644, "dyn_stab": "No", "gap_hse": 1.809729494697217, "gap_dir_hse": 2.9330787396931073, "efermi_hse": -6.303872944483211, "vbm_hse": -7.23211197064233, "cbm_hse": -5.422382475945113, "alphax_el": 1.4919525780054539, "alphay_el": 1.6047119262624812, "alphaz_el": 0.3121433901014561, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.048307299167720696, "hform": -0.9661852667492146}


unique_id: 12449de1ea622277711bd3b46376774c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgF/Ag2F2-5d59d14ec159", "uid": "2AgF-1", "olduid": "Ag2F2-b43c307e7840", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 3.086712009152307, "label": "Lyngby22_LDP", "gap": 0.09880325916460642, "gap_dir": 1.3726273238309181, "gap_dir_nosoc": 1.4984838404799543, "evac": 2.626433647830428, "efermi": -5.631179380519039, "vbm": -5.680581010101342, "cbm": -5.581777750936736, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.018823621490125397, "hform": -0.9956689444268099}


unique_id: 7d81c870e51ad4fd5a1d266bd22d5696
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IPd/I2Pd2-516f3462f6ca", "uid": "2IPd-2", "olduid": "I2Pd2-516f3462f6ca", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.116822286198041, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.897774227700909, "efermi": -4.605001676591524, "minhessianeig": -1.1536140389207368e-15, "dyn_stab": "Yes", "alphax_el": 68.20717101642923, "alphay_el": 64.25564933657101, "alphaz_el": 1.9027846118200251, "plasmafrequency_x": 3.8463486995931246, "plasmafrequency_y": 3.8735157496682437, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1916606462168986, "hform": 0.0011690646488196066}


unique_id: a56485478107157b9cc431e54235a63a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IPd/I2Pd2-9e3e15f8c78e", "uid": "2IPd-3", "olduid": "I2Pd2-9e3e15f8c78e", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.8400836867182164, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.540367690479202, "efermi": -4.762274917699346, "minhessianeig": -0.8982137524881034, "dyn_stab": "No", "is_magnetic": true, "spin_axis": "z", "dE_zx": -1.7453284604016517, "dE_zy": -1.7453325485803362, "J": 31.666963889051658, "lam": 0.7978804910067083, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.23835539020794427, "hform": 0.04786380863986528}


unique_id: cb8c25fbb2b7ecd554552f05e36ecdfe
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/IPd/I2Pd2-175cc4a33a38", "uid": "2IPd-1", "olduid": "I2Pd2-526baad1cb5e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.066839860267413, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.125804596806661, "efermi": -4.537002638427835, "minhessianeig": -2.0065861204059076e-15, "dyn_stab": "Yes", "alphax_el": 24.36832746009488, "alphay_el": 24.350478903400553, "alphaz_el": 0.4973965986778385, "plasmafrequency_x": 4.9195067864721675, "plasmafrequency_y": 4.920424925397118, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02072783471780837, "hform": -0.16976374685027062}


unique_id: c20fc4b29d8ce01dc3bc15c95776509b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClLi/Cl4Li4-7a3e5e8e9327", "uid": "4ClLi-1", "olduid": "Cl4Li4-7ba274a87072", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.8317939856983028, "label": "Wang23", "gap": 6.09656063132438, "gap_dir": 6.177659403082766, "gap_dir_nosoc": 6.197845037266664, "evac": 2.1402208009542925, "efermi": -4.6087357559224325, "vbm": -7.657016071584622, "cbm": -1.5604554402602422, "minhessianeig": -4.029549564377574e-14, "dyn_stab": "Yes", "gap_hse": 7.344284115112513, "gap_dir_hse": 7.422959102164059, "efermi_hse": -5.0047687187630405, "vbm_hse": -8.676910776319296, "cbm_hse": -1.3326266612067843, "alphax_el": 0.5768256022964786, "alphay_el": 0.5767610636504654, "alphaz_el": 0.2641630827160718, "alphax_lat": 0.8582030804772259, "alphax": 1.4350286827737047, "alphay_lat": 0.8433072437870103, "alphay": 1.4200683074374756, "alphaz_lat": 0.17500817430689358, "alphaz": 0.4391712570229654, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0111518802636148, "hform": -1.824791675249069}


unique_id: 7f4b470a2b9b5aa791b44cb674470420
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClLi/Cl4Li4-e8ebf1b16eca", "uid": "4ClLi-2", "olduid": "Cl4Li4-7fb6098f6c2a", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.0367127775068026, "label": "Wang23", "gap": 6.191885746579198, "gap_dir": 6.382923025542267, "gap_dir_nosoc": 6.418367292727274, "evac": 1.7871666098105141, "efermi": -4.8527736685428815, "vbm": -7.94871654183248, "cbm": -1.7568307952532825, "minhessianeig": -1.7291222287422579e-15, "dyn_stab": "Yes", "gap_hse": 7.446287004387182, "gap_dir_hse": 7.634616044056725, "efermi_hse": -5.249325912430266, "vbm_hse": -8.972469414623857, "cbm_hse": -1.526182410236675, "alphax_el": 0.4444339714797427, "alphay_el": 0.4444932430953501, "alphaz_el": 0.19965035594244984, "alphax_lat": 0.8557858978648463, "alphax": 1.300219869344589, "alphay_lat": 0.8498638075871638, "alphay": 1.294357050682514, "alphaz_lat": 0.07830501463917013, "alphaz": 0.27795537058161995, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.041049872933285325, "hform": -1.7948936825793984}


unique_id: 157971923d6f5e199977cb7645678a29
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ORe/O2Re2-339c0bfff32e", "uid": "2ORe-3", "olduid": "O2Re2-339c0bfff32e", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.413967256896364, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5199371004175646, "efermi": -5.2792242002939425, "minhessianeig": -10.46581840902413, "dyn_stab": "No", "alphax_el": 34.85964953796262, "alphay_el": 34.87261070509499, "alphaz_el": 0.49635819151686744, "plasmafrequency_x": 8.341777855114488, "plasmafrequency_y": 8.412966580756477, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.4942102315810564, "hform": 0.3496417760184798}


unique_id: 37a35ca9106f6e432ab9caa9556f91b3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ORe/O2Re2-e7c6b2cf5c48", "uid": "2ORe-1", "olduid": "O2Re2-e7c6b2cf5c48", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.419212839933298, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.22948656978798, "efermi": -5.2670232128358405, "minhessianeig": -2.195889056654137, "dyn_stab": "No", "gap_hse": 0.21568495730287565, "gap_dir_hse": 0.3067578088735633, "efermi_hse": -5.4354799080584355, "vbm_hse": -5.540204439726192, "cbm_hse": -5.324519482423316, "alphax_el": 11.577399358625216, "alphay_el": 11.577399358625213, "alphaz_el": 0.3998438621098561, "plasmafrequency_x": 0.6584691075509435, "plasmafrequency_y": 0.6584691075509438, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5627608217008246, "hform": -0.5818076338617519}


unique_id: 20e8cf82416be5a7466184402bfa2c96
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ORe/O2Re2-ac4f338003fe", "uid": "2ORe-2", "olduid": "O2Re2-ac4f338003fe", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 2.4947010880097773, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5563982027743823, "efermi": -5.791380699516461, "minhessianeig": -23.595988519536892, "dyn_stab": "No", "alphax_el": 47.38849976875663, "alphay_el": 20.95562723749369, "alphaz_el": 0.4948229521822474, "plasmafrequency_x": 5.611069544268936, "plasmafrequency_y": 8.560326819239407, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7773673066453801, "hform": -0.36720114891719646}


unique_id: e278085a022b8724259a95f91045a2ea
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SSn/SSn-f98da23471a1", "uid": "1SSn-1", "olduid": "SSn-f98da23471a1", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.4598471617338111, "label": "original03-18", "gap": 2.2886290308319213, "gap_dir": 2.5411860294963358, "gap_dir_nosoc": 2.6075949906927898, "evac": 2.6784617126214867, "efermi": -4.9369646270736744, "vbm": -6.0812791424896355, "cbm": -3.7926501116577143, "minhessianeig": -6.328624480386484e-15, "dyn_stab": "Yes", "gap_hse": 2.9777847514966638, "gap_dir_hse": 3.263470587594423, "efermi_hse": -5.0692525658911265, "vbm_hse": -6.5581449416409825, "cbm_hse": -3.5803601901443187, "gap_gw": 3.911720568080881, "gap_dir_gw": 4.195919212266006, "efermi_gw": -5.338574786779715, "vbm_gw": -7.2944350708197385, "cbm_gw": -3.3827145027388577, "alphax_el": 2.5642688087998797, "alphay_el": 2.5642688087998833, "alphaz_el": 0.29681382407418677, "alphax_lat": 1.8753878389661676, "alphax": 4.439656647766047, "alphay_lat": 1.87523153590335, "alphay": 4.439500344703234, "alphaz_lat": 0.0077595464257755676, "alphaz": 0.30457337049996236, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.11758074804436452, "hform": -0.33991759556240275}


unique_id: 1790c8484d7bf1bbdf3356ff5f918a55
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AlBi/Al2Bi2-b935c1a4cc02", "uid": "2AlBi-1", "olduid": "Al2Bi2-3ce4c5e53d32", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.775035741697094, "label": "Lyngby22_LDP", "gap": 0.09184506270781356, "gap_dir": 0.12374905570401706, "gap_dir_nosoc": 0.0, "evac": 1.73552856136003, "efermi": -3.559517493612059, "vbm": -3.605440024965966, "cbm": -3.513594962258152, "minhessianeig": -1.9065581995432865e-12, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08514277713250351, "hform": 0.08514277713250351}


unique_id: 8eb231d52d9774ff39e92e7357fb6bde
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/ClNa/Cl2Na2-de6ff5a7dea1", "uid": "2ClNa-1", "olduid": "Cl2Na2-0ac1374b904d", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.6245569080232585, "label": "Lyngby22_LDP", "gap": 4.966135273351533, "gap_dir": 4.990448665970513, "gap_dir_nosoc": 4.992980997397259, "evac": 0.9996808834809463, "efermi": -4.193874903985439, "vbm": -6.676942540661205, "cbm": -1.7108072673096726, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1331610513913173, "hform": -1.7048834603459981}


unique_id: 3b37f13c6ab5ad07f41f275932fb99e0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IIn/I2In2-9ab97b2e26fc", "uid": "2IIn-2", "olduid": "I2In2-9ab97b2e26fc", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.352464572879636, "label": "original03-18", "gap": 0.9878311967561447, "gap_dir": 1.9558470613523258, "gap_dir_nosoc": 2.116502327008182, "evac": 4.219480894660599, "efermi": -4.942203205153607, "vbm": -5.436118803531679, "cbm": -4.448287606775534, "minhessianeig": 7.038756559297887e-17, "dyn_stab": "Yes", "gap_hse": 1.3346357133035869, "gap_dir_hse": 2.4740577338835346, "efermi_hse": -5.056053500521549, "vbm_hse": -5.723371357173343, "cbm_hse": -4.388735643869756, "alphax_el": 3.9491761818861093, "alphay_el": 3.9397231652703173, "alphaz_el": 0.6548273633530439, "alphax_lat": 5.638879580533073, "alphax": 9.588055762419183, "alphay_lat": 5.65244292158376, "alphay": 9.592166086854078, "alphaz_lat": 0.06801166061829231, "alphaz": 0.7228390239713363, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08469212993897068, "hform": -0.4028569944548597}


unique_id: c704d2bb09d68cfb8d946a01175dfc4a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IIn/I2In2-3e7cf76994f4", "uid": "2IIn-3", "olduid": "I2In2-3e7cf76994f4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.2486066034737515, "label": "original03-18", "gap": 1.7871713456622946, "gap_dir": 2.0947340301313373, "gap_dir_nosoc": 2.1773678753982733, "evac": 1.6822296471741534, "efermi": -3.908057241277483, "vbm": -4.80164291410863, "cbm": -3.0144715684463357, "minhessianeig": -0.14882756755468615, "dyn_stab": "No", "gap_hse": 2.3465737617708307, "gap_dir_hse": 2.6415285756522384, "efermi_hse": -4.039484493020554, "vbm_hse": -5.144822013820124, "cbm_hse": -2.7982482520492935, "E_B": 1.1970714004368146, "alphax_el": 1.7716477746082455, "alphay_el": 1.7716477746082449, "alphaz_el": 0.25490263159780835, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.12468802967431092, "hform": -0.36286109471951944}


unique_id: 303c4658723c8d86af1b0fe691fe0a1e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/IIn/I2In2-487f6022affb", "uid": "2IIn-1", "olduid": "I2In2-f047a516a150", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 4.500606577588087, "label": "Wang23", "gap": 0.8908209101587884, "gap_dir": 1.439586549757282, "gap_dir_nosoc": 1.5706689047576943, "evac": 3.324589430509655, "efermi": -4.578967255955366, "vbm": -5.024377711034759, "cbm": -4.133556800875971, "minhessianeig": -0.15336514201067858, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06854588916824067, "hform": -0.4190032352255897}


unique_id: a3dfd530943a0c36f81fc0a83d348ad2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CGa/CGa-14949db41c49", "uid": "1CGa-1", "olduid": "CGa-14949db41c49", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 9.769962616701378e-15, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.8041815712231215, "efermi": -5.065875506279851, "minhessianeig": -3.199137971768783e-10, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.452132982682885, "hform": 1.4484371752757994}


unique_id: 94485a5ee865bc1f8bd933b0d98ac924
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/BrIn/Br6In6-a36af883c8b1", "uid": "6BrIn-1", "olduid": "Br6In6-5cb323923b7a", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 6.488778594346906, "label": "Wang23", "gap": 2.2795230637418005, "gap_dir": 2.3062955755908097, "gap_dir_nosoc": 2.3712453286164945, "evac": 2.9371870877191455, "efermi": -4.540385261290879, "vbm": -5.6801467931617795, "cbm": -3.400623729419979, "minhessianeig": -0.15982075867809378, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.060654668373111655, "hform": -0.6343268401480774}


unique_id: 42786de0505e03ceac65508a970db470
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Cu2Br2", "uid": "1BrCu-1", "olduid": "BrCu-f5a69e52124a", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 0.0, "label": "exfoliated02-21", "gap": 1.0237021928664132, "gap_dir": 1.0237021928664132, "gap_dir_nosoc": 1.055350400762035, "evac": 0.8934349049811436, "efermi": -4.0992385583269755, "vbm": -4.611089654760182, "cbm": -3.587387461893769, "minhessianeig": -0.27953129982774116, "dyn_stab": "No", "icsd_id": 30092, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08855246477102652, "hform": -0.2157033834667157}


unique_id: 5a913c43c5953d548b9933e44d6dcd3d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/FNa/F2Na2-d6de0b3683ec", "uid": "2FNa-2", "olduid": "F2Na2-56c91c4eee30", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.6245922216283812, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1546790555164037, "hform": -2.6631344160287904}


unique_id: eb8439c1d92a7801110454ec01cac7bb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FNa/F2Na2-1f7c4937a12f", "uid": "2FNa-1", "olduid": "F2Na2-2c75270e181c", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.3979020376775138, "label": "Wang23", "gap": 5.589937102425832, "gap_dir": 5.589937102425832, "gap_dir_nosoc": 5.608908455720904, "evac": 1.4078818688761894, "efermi": -3.980021892650562, "vbm": -6.774990443863478, "cbm": -1.1850533414376463, "minhessianeig": 8.032501337603858e-14, "dyn_stab": "Yes", "gap_hse": 7.694500527868119, "gap_dir_hse": 7.694500527868119, "efermi_hse": -4.803148774417671, "vbm_hse": -8.650399038351729, "cbm_hse": -0.9558985104836114, "alphax_el": 0.3108748068537353, "alphay_el": 0.3110714696546987, "alphaz_el": 0.1847481982695697, "alphax_lat": 0.98106811425016, "alphax": 1.2919429211038953, "alphay_lat": 0.9815915701819633, "alphay": 1.292663039836662, "alphaz_lat": 0.26733515456242807, "alphaz": 0.45208335283199774, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07637928068678779, "hform": -2.7414341908584063}


unique_id: eff0e0c25d61ea9153e9c77e7182c085
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/OZr/OZr-e0be15489d9f", "uid": "1OZr-1", "olduid": "OZr-6bd54e324d10", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 7.474065104151606e-05, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.9903885705338262, "hform": -1.6914153728029682}


unique_id: ce3c6958e750ba7bb29e990711bfb999
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClCr/Cl2Cr2-3fef6584c791", "uid": "2ClCr-2", "olduid": "Cl2Cr2-3fef6584c791", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.4580198503127537, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.581023762890487, "efermi": -3.997467344641547, "minhessianeig": -7.181285178161294, "dyn_stab": "No", "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.5488700129205881, "dE_zy": -0.548871877754209, "J": -124.77092387953448, "lam": 0.06794051983050053, "A": 0.31510566181225386, "spin": 1.0, "N_nn": 4, "ehull": 0.8262742898665559, "hform": 0.04723991019690388}


unique_id: 3ebd2f2d27def1da6dcd3e6258f3272e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/ClCr/Cl2Cr2-de644ecf40fa", "uid": "2ClCr-1", "olduid": "Cl2Cr2-d91c7b1b202d", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.1654485540686395, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.641690386344744, "hform": -0.1373439933249081}


unique_id: 565c4a1ebf53bc7f3620cc41ff04abb6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AuCa/Au2Ca2-ce0909bf8468", "uid": "2AuCa-1", "olduid": "Au2Ca2-df0d4267124d", "international": "P6/mmm", "number": 191, "has_inversion_symmetry": true, "lgnum": 80, "layergroup": "p6/mmm", "bravais_type": "Hexagonal (hp)", "thickness": 3.2680953507564254, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4097880979016093, "hform": -0.43318934677095244}


unique_id: 304584282f0ff6556e971294ef331a47
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag6I6-247215335ee7", "uid": "6AgI-4", "olduid": "Ag6I6-fe03a589ad73", "international": "Pcc2", "number": 27, "has_inversion_symmetry": false, "lgnum": 30, "layergroup": "pb2b", "bravais_type": "Rectangular (op)", "thickness": 4.67980228437702, "label": "Wang23", "gap": 2.074005746324425, "gap_dir": 2.074005746324425, "gap_dir_nosoc": 2.1792174004628735, "evac": 2.5977112306692005, "efermi": -4.6681475729362365, "vbm": -5.705150446098449, "cbm": -3.6311446997740235, "minhessianeig": -0.12400628989700332, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0584933223688063, "hform": -0.21041795356317294}


unique_id: 14f1cb8179b7546eb7a32b457e6f148d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag6I6-443ea2ad95a0", "uid": "6AgI-1", "olduid": "Ag6I6-358f0b92a506", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.998710886433984, "label": "Wang23", "gap": 1.503712873122047, "gap_dir": 1.503712873122047, "gap_dir_nosoc": 1.7549041242840264, "evac": 3.363251135935103, "efermi": -4.725154925046048, "vbm": -5.477011361607071, "cbm": -3.9732984884850238, "minhessianeig": -8.408578898870805e-16, "dyn_stab": "Yes", "gap_hse": 2.4958995320762383, "gap_dir_hse": 2.4958995320762383, "efermi_hse": -4.976270184363328, "vbm_hse": -6.224219950401446, "cbm_hse": -3.7283204183252083, "alphax_el": 2.478927422683363, "alphay_el": 2.478927422231479, "alphaz_el": 0.45057174328858407, "alphax_lat": 2.582352916236584, "alphax": 5.061280338919947, "alphay_lat": 2.599501187143705, "alphay": 5.078428609375184, "alphaz_lat": 0.05548850013626164, "alphaz": 0.5060602434248457, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02599409594398942, "hform": -0.2429171799879898}


unique_id: 632f6ce897f124331eff4c4b0ac3a12d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag6I6-8810bf8a8d87", "uid": "6AgI-3", "olduid": "Ag6I6-68546b29b7f8", "international": "P6mm", "number": 183, "has_inversion_symmetry": false, "lgnum": 77, "layergroup": "p6mm", "bravais_type": "Hexagonal (hp)", "thickness": 3.9905771041257374, "label": "Wang23", "gap": 1.2803115476380036, "gap_dir": 1.2803115476380036, "gap_dir_nosoc": 1.540264939419169, "evac": 2.8988257952163377, "efermi": -4.885597616061298, "vbm": -5.5257533898802995, "cbm": -4.245441842242296, "minhessianeig": -0.10866019085863192, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.052112443704550815, "hform": -0.21679883222742843}


unique_id: c84baef69bc93c769e2f49271f8f9959
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag6I6-4efda52b9261", "uid": "6AgI-2", "olduid": "Ag6I6-c5560be6077c", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 5.399141256645839, "label": "Wang23", "gap": 1.7225053697553445, "gap_dir": 1.928150181720898, "gap_dir_nosoc": 2.0451975263615836, "evac": 2.951491813562292, "efermi": -4.63099171120384, "vbm": -5.492244396081512, "cbm": -3.7697390263261674, "minhessianeig": -0.2333415236212274, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04267323307653018, "hform": -0.22623804285544905}


unique_id: f471e337bf4958e11ea1e0fc669f8ecd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SZr/S2Zr2-8e309f5eccc0", "uid": "2SZr-1", "olduid": "S2Zr2-8e309f5eccc0", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.32786171611162, "label": "original03-18", "gap": 0.13219634500597266, "gap_dir": 0.13614491493284986, "gap_dir_nosoc": 0.1352403221988693, "evac": 3.5779927291357687, "efermi": -3.5429829507340713, "vbm": -3.6090811232370577, "cbm": -3.476884778231085, "minhessianeig": -4.3930956537853754e-15, "dyn_stab": "Yes", "gap_hse": 0.06661219911602256, "gap_dir_hse": 0.06661219911602256, "efermi_hse": -3.369570618663536, "vbm_hse": -3.402876718221547, "cbm_hse": -3.3362645191055247, "alphax_el": 80.34394647448991, "alphay_el": 80.1619409968243, "alphaz_el": 0.3981400935058075, "alphax_lat": 6306.4143143114825, "alphax": 6386.758260785972, "alphay_lat": 3028.124463305703, "alphay": 3108.2864043025274, "alphaz_lat": 0.028073924048293564, "alphaz": 0.42621401755410104, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.2595261599823777, "hform": -1.1540360663976168}


unique_id: 3e21d8c11d4dfe07636d7e461c20dd02
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SZr/S2Zr2-23924b3c18e9", "uid": "2SZr-4", "olduid": "S2Zr2-23924b3c18e9", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 5.665131790102309, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.864157663215078, "efermi": -4.895515838317642, "minhessianeig": -0.47427762814559354, "dyn_stab": "No", "alphax_el": 22.787689759131023, "alphay_el": 22.787689759131027, "alphaz_el": 0.5668567437089905, "plasmafrequency_x": 4.630834097453906, "plasmafrequency_y": 4.630834097453907, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4882251465340026, "hform": -0.9253370798459919}


unique_id: 84cb30092a836bb9ea985fe9db99579b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SZr/S2Zr2-6765bdaaaa9a", "uid": "2SZr-2", "olduid": "S2Zr2-6765bdaaaa9a", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.563928123427025, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.0506475376774946, "efermi": -4.026941679830517, "minhessianeig": -6.256834035956879e-11, "dyn_stab": "No", "alphax_el": 18.53260142643633, "alphay_el": 18.32081010699832, "alphaz_el": 0.2985252539819937, "plasmafrequency_x": 7.368110819431174, "plasmafrequency_y": 7.372758300787627, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3876181553872309, "hform": -1.0259440709927636}


unique_id: f911660960d35ca7a8797cc43ee37a0f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SZr/S2Zr2-6a28060acfbf", "uid": "2SZr-5", "olduid": "S2Zr2-6a28060acfbf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.699664770937428, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.826683566522814, "efermi": -4.978555351392857, "minhessianeig": -0.21665159208421939, "dyn_stab": "No", "alphax_el": 52.81556139775167, "alphay_el": 52.846976944872615, "alphaz_el": 0.5689316584526678, "plasmafrequency_x": 7.105741432887487, "plasmafrequency_y": 7.107236137042768, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5010138915406088, "hform": -0.9125483348393857}


unique_id: c1c9fb6d2dc70e3822735e4208180420
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SZr/S2Zr2-7b1251030e56", "uid": "2SZr-3", "olduid": "S2Zr2-7b1251030e56", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.3054712138549744, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6343012101501406, "efermi": -5.204743783554536, "minhessianeig": -0.9071110573458735, "dyn_stab": "No", "alphax_el": 10.163960670128432, "alphay_el": 10.207015137852622, "alphaz_el": 0.5363432385056477, "plasmafrequency_x": 8.934888609357166, "plasmafrequency_y": 8.935792923192084, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.45335460182593845, "hform": -0.9602076245540561}


unique_id: 6691f6aad41ac17faadc0da09f5aa68d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag6Cl6-5f3e3241f6c3", "uid": "6AgCl-2", "olduid": "Ag6Cl6-6d6e8f8a481a", "international": "Pccm", "number": 49, "has_inversion_symmetry": true, "lgnum": 38, "layergroup": "pmaa", "bravais_type": "Rectangular (op)", "thickness": 6.110453952995483, "label": "Wang23", "gap": 1.3561169759777598, "gap_dir": 1.3594873276288422, "gap_dir_nosoc": 1.3796964727819994, "evac": 3.845233124773311, "efermi": -4.937812266031056, "vbm": -5.6158707540199355, "cbm": -4.259753778042176, "minhessianeig": -0.8029980372695876, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.01273835662212619, "hform": -0.42587839529671623}


unique_id: a8d5352ff931f4fadeb44b91aa7d14ca
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag6Cl6-54fe0d1aa008", "uid": "6AgCl-1", "olduid": "Ag6Cl6-1df61b975992", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 5.319976355664123, "label": "Wang23", "gap": 1.938944880057074, "gap_dir": 2.458625395901115, "gap_dir_nosoc": 2.486535638292218, "evac": 2.7223950507539154, "efermi": -4.981039014700862, "vbm": -5.9505114547294, "cbm": -4.011566574672325, "minhessianeig": -0.022946723647684106, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.006060724875801189, "hform": -0.43255602704304125}


unique_id: 7c7c5c245cdd9ef4b5641eea9dda9192
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag6Cl6-5ea4d453fd49", "uid": "6AgCl-4", "olduid": "Ag6Cl6-a5b7b152a4a3", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 5.818275795941135, "label": "Wang23", "gap": 2.3976363187139875, "gap_dir": 2.4971095456066803, "gap_dir_nosoc": 2.530339629234875, "evac": 2.2087528623213926, "efermi": -5.452081420677079, "vbm": -6.650899580034072, "cbm": -4.253263261320084, "minhessianeig": -0.002106622741054211, "dyn_stab": "Yes", "gap_hse": 3.7051005319075325, "gap_dir_hse": 3.8245477387599593, "efermi_hse": -5.899803843666419, "vbm_hse": -7.752354109620185, "cbm_hse": -4.047253577712652, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.018598631497161122, "hform": -0.4200181204216813}


unique_id: 355a8bb3366c549cbc2ae55413c13ef5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag6Cl6-250af62aa86b", "uid": "6AgCl-3", "olduid": "Ag6Cl6-3ee8a156518c", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.8233918650088103, "label": "Wang23", "gap": 2.307656004568463, "gap_dir": 2.361440436160015, "gap_dir_nosoc": 2.3850645845069787, "evac": 2.2704697629157806, "efermi": -5.324550082710515, "vbm": -6.4783780849947465, "cbm": -4.170722080426284, "minhessianeig": -0.018181644755774065, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.017793904767427666, "hform": -0.42082284715141477}


unique_id: c6a87a036f23b4324266de6e3ffbc957
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoTe/Co2Te2-58378d931a56", "uid": "2CoTe-5", "olduid": "Co2Te2-58378d931a56", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.779626802351485, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.9416748876006644, "efermi": -4.632948425479726, "minhessianeig": -0.2812632487421583, "dyn_stab": "No", "alphax_el": 44.637800330502095, "alphay_el": 44.211741493413506, "alphaz_el": 1.5218046779244325, "plasmafrequency_x": 9.380625528480719, "plasmafrequency_y": 9.38910408294263, "is_magnetic": true, "spin_axis": "y", "dE_zx": 0.10275101944046128, "dE_zy": 0.12151376087388144, "J": 52.209725520981465, "lam": -0.607950263542989, "A": 0.0, "spin": 0.5, "N_nn": 1, "ehull": 0.4406130093107974, "hform": 0.27381622889975255}


unique_id: 15b44817df5993a8e72e181d9100e778
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoTe/Co2Te2-043e7be1d702", "uid": "2CoTe-2", "olduid": "Co2Te2-043e7be1d702", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.391148702253054, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.832472311075637, "efermi": -4.100321617088012, "minhessianeig": -2.4151354399715315e-14, "dyn_stab": "Yes", "alphax_el": 39.86448029514284, "alphay_el": 39.68285090673622, "alphaz_el": 0.5796658561188782, "plasmafrequency_x": 7.441405575682545, "plasmafrequency_y": 7.472095499043146, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.13996790608565401, "hform": -0.026828874325390828}


unique_id: 39d00e771f8f056f9939e1f72f34b27d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoTe/Co2Te2-85a66e92575f", "uid": "2CoTe-1", "olduid": "Co2Te2-85a66e92575f", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.258186213001494, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.919232552285275, "efermi": -4.086365277870603, "minhessianeig": -1.9087944909296184e-11, "dyn_stab": "Yes", "alphax_el": 13.578703450993073, "alphay_el": 13.574847368304084, "alphaz_el": 0.5058399923501794, "plasmafrequency_x": 5.9808944470102645, "plasmafrequency_y": 5.994533276947817, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07911458351574119, "hform": -0.08768219689530365}


unique_id: 5f2f74903c3c05376b229875b751f7d5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoTe/Co2Te2-f185156f82d3", "uid": "2CoTe-3", "olduid": "Co2Te2-f185156f82d3", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.476132253875324, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.233341885656669, "efermi": -4.3731137919920915, "minhessianeig": -0.44122476308747494, "dyn_stab": "No", "alphax_el": 31.943012055102884, "alphay_el": 31.810140297026344, "alphaz_el": 0.5474113338666353, "plasmafrequency_x": 4.6707402628006465, "plasmafrequency_y": 4.7263655330175425, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.15779180148683025, "hform": -0.00900497892421459}


unique_id: b0c98c8c7f29042b01745a82cae71d29
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoTe/Co2Te2-b175e1067088", "uid": "2CoTe-4", "olduid": "Co2Te2-b175e1067088", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.4755075660114887, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.845027113359789, "efermi": -4.455343408877116, "minhessianeig": -3.2834832792567016e-14, "dyn_stab": "Yes", "alphax_el": 18.259569485178165, "alphay_el": 18.259569485178172, "alphaz_el": 0.5590039623494776, "plasmafrequency_x": 7.487582907213849, "plasmafrequency_y": 7.487582907213849, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.17836145970306916, "dE_zy": -0.1759923413544584, "J": 41.30853412377178, "lam": 0.025925377855173792, "A": 0.0, "spin": 0.5, "N_nn": 1, "ehull": 0.419467434455278, "hform": 0.25267065404423317}


unique_id: ee6fb847b59fa3933c4fe225a979af4a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Bi3O3", "uid": "1BiO-1", "olduid": "BiO-1d74f1a36b90", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 0.8476238260476165, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.314989576978006, "efermi": -4.7564124858558845, "minhessianeig": -1.8650534690289984, "dyn_stab": "No", "icsd_id": 30361, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6359594719763859, "hform": -0.3980854090704824}


unique_id: f72b53253eab57f4a3c8b203db381ca8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/BiO/BiO-6fc5dd8a1d7a", "uid": "1BiO-2", "olduid": "BiO-3304af73db57", "international": "Cm", "number": 8, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 0.019786328666135944, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.6429066460698662, "hform": -0.39113823497700206}


unique_id: 2c2b4e328df6ba450027e73098ac75a2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgS/Ag6S6-1fc7a408deeb", "uid": "6AgS-1", "olduid": "Ag6S6-625f82e111a1", "international": "P2", "number": 3, "has_inversion_symmetry": false, "lgnum": 3, "layergroup": "p112", "bravais_type": "Oblique (mp)", "thickness": 3.872281902387911, "label": "Wang23", "gap": 2.0956933457740825, "gap_dir": 2.097693667663542, "gap_dir_nosoc": 2.0996722152372596, "evac": 2.1506867920611397, "efermi": -4.465031348058228, "vbm": -5.512878020945269, "cbm": -3.4171846751711867, "minhessianeig": -0.00986084698025465, "dyn_stab": "Yes", "gap_hse": 3.09733550028635, "gap_dir_hse": 3.097703156632217, "efermi_hse": -4.659197882130871, "vbm_hse": -6.207865632274046, "cbm_hse": -3.1105301319876966, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08589456756433937, "hform": 0.029458486509952902}


unique_id: 10ec895cef7a53cb445cf0d9f3a2374c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CdO/Cd2O2-256ad60da1bd", "uid": "2CdO-1", "olduid": "Cd2O2-428eba6d1677", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.5101310869598183, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11980153268222216, "hform": -0.9181464534930082}


unique_id: b1ae6682665afbb0eaf66b8eb1763d3b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/SeSi/SeSi-44cb9eda20af", "uid": "1SeSi-1", "olduid": "SeSi-49d317da58bb", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.419709546085424, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.38372396239736917, "hform": 0.045980164931697765}


unique_id: f0f6f7bced2c07acbefb954899af8b7d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgS/Ag2S2-ca95bca41f95", "uid": "2AgS-1", "olduid": "Ag2S2-ca95bca41f95", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 2.441156192185421, "label": "original03-18", "gap": 0.9615159891823399, "gap_dir": 1.3551047223572876, "gap_dir_nosoc": 1.363846395368598, "evac": 2.3430577044815823, "efermi": -5.718389719063631, "vbm": -6.199147713654801, "cbm": -5.237631724472461, "minhessianeig": -3.682560729424971e-12, "dyn_stab": "Yes", "gap_hse": 1.5571749165959718, "gap_dir_hse": 1.890754593708441, "efermi_hse": -6.064798292776249, "vbm_hse": -6.83817559350725, "cbm_hse": -5.281000676911278, "E_B": 1.1865186850880332, "alphax_el": 4.557067691869342, "alphay_el": 2.091168366422025, "alphaz_el": 0.2840181678123754, "alphax_lat": 0.6491531898324804, "alphax": 5.206220881701823, "alphay_lat": 0.01984165465055773, "alphay": 2.1110100210725826, "alphaz_lat": 0.0016207332054711334, "alphaz": 0.2856389010178465, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.11986448394664562, "hform": 0.06342840289225915}


unique_id: 6fb25ceecb8cb12487a9158f808188f0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgS/Ag2S2-b9a16934b03e", "uid": "2AgS-3", "olduid": "Ag2S2-b9a16934b03e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.085709606619986, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.066196992336484, "efermi": -5.738391463235535, "minhessianeig": -1.1832644411654174e-14, "dyn_stab": "Yes", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.28877741754991604, "hform": 0.23234133649552957}


unique_id: b9badd2033e668e81d019da33a892aea
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgS/Ag2S2-0805abe49e36", "uid": "2AgS-6", "olduid": "Ag2S2-f9b12b3a5eb6", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.577481646082928, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.35923490714539996, "hform": 0.3027988260910135}


unique_id: 5d87f8fecb3f294ec268b792ea76f682
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgS/Ag2S2-17e05f65307d", "uid": "2AgS-5", "olduid": "Ag2S2-fc669cf7a0bd", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.4540561861847845, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3390968767836595, "hform": 0.28266079572927305}


unique_id: d26c9636bddb4d4593bb967b4f3605e9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgS/Ag2S2-7c0d9bd00fef", "uid": "2AgS-4", "olduid": "Ag2S2-a24214ef0b25", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 3.872999694818507, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.307748957701365, "hform": 0.25131287664697854}


unique_id: 62b58d07f05fdc233ba3e6e53a4b7164
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgS/Ag2S2-ada5d8ba4852", "uid": "2AgS-2", "olduid": "Ag2S2-faeac08286c5", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.89542190398169, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.17839205280234216, "hform": 0.1219559717479557}


unique_id: f8764a1db72d506a3be4361a09e6e28a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CrS/Cr2S2-885c9dcb98ad", "uid": "2CrS-2", "olduid": "Cr2S2-885c9dcb98ad", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.0756853311769996, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.620419070519672, "efermi": -4.494544130490052, "minhessianeig": -1.6164257430107086e-14, "dyn_stab": "Yes", "alphax_el": 26.052361188146097, "alphay_el": 25.966709001219165, "alphaz_el": 1.1201973062337336, "plasmafrequency_x": 5.314756190245614, "plasmafrequency_y": 5.3452540952435585, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.04065892568405616, "dE_zy": -0.04037111142451977, "J": 86.37273179753417, "lam": 0.03570943217331054, "A": 0.0, "spin": 0.5, "N_nn": 3, "ehull": 0.17729963376659974, "hform": -0.43951455454878285}


unique_id: ef72ef3b2a901540868ebd264d63d94b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CrS/Cr2S2-a86ede8e3bf1", "uid": "2CrS-1", "olduid": "Cr2S2-8ea17a69dafd", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.0646103277720655, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7321122814559624, "efermi": -5.008247671415301, "dyn_stab": "Unknown", "is_magnetic": true, "spin_axis": "y", "dE_zx": 0.01804283681394736, "dE_zy": 0.018042977757204426, "ehull": 0.12375472520124298, "hform": -0.4930594631141396}


unique_id: 4c55ff970f07e74bc3512d38fbc81d4b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CrS/Cr2S2-e0defd1e7a47", "uid": "2CrS-3", "olduid": "Cr2S2-83f03560e393", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.2270805501415483, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3459480810635771, "hform": -0.2708661072518055}


unique_id: 2c7c926e3e9e999499e3cc0fdb07b35e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/BrIn/Br8In8-139e78d18493", "uid": "8BrIn-1", "olduid": "Br8In8-8ae55472532a", "international": "Aem2", "number": 39, "has_inversion_symmetry": false, "lgnum": 36, "layergroup": "cm2e", "bravais_type": "Centered rectangular (oc)", "thickness": 6.286992702218789, "label": "Wang23", "gap": 1.3319213863351604, "gap_dir": 1.4230188551951106, "gap_dir_nosoc": 1.4676718403734592, "evac": 2.7201817934283206, "efermi": -4.292130550341601, "vbm": -4.958091243509181, "cbm": -3.6261698571740206, "minhessianeig": -0.130411419556874, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0894303326884085, "hform": -0.6055511758327805}


unique_id: c0723d064578cd3ba00b98eaa3eb1842
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CdSe/Cd2Se2-442a78096a21", "uid": "2CdSe-3", "olduid": "Cd2Se2-442a78096a21", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 1.2398732529561585e-07, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.292318171397639, "efermi": -4.91003036713577, "minhessianeig": -9.246572579628582, "dyn_stab": "No", "alphax_el": 2.5805508548174276, "alphay_el": 2.5805508548174276, "alphaz_el": 0.2155830253426852, "plasmafrequency_x": 6.256782309576457, "plasmafrequency_y": 6.256782309576457, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.42154164581194165, "hform": -0.20895413224016002}


unique_id: 21d4c9f44e2827b04ee6cf1790f7140c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CdSe/Cd2Se2-6e69c77cf8fc", "uid": "2CdSe-1", "olduid": "Cd2Se2-6e69c77cf8fc", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.588591616256241, "label": "original03-18", "gap": 1.4023876086837297, "gap_dir": 1.4023876086837297, "gap_dir_nosoc": 1.5231706687392368, "evac": 3.2479359851487564, "efermi": -5.14099701399437, "vbm": -5.842190818336235, "cbm": -4.439803209652505, "minhessianeig": -9.041898510738931e-18, "dyn_stab": "Yes", "gap_hse": 2.197360631023562, "gap_dir_hse": 2.197360631023562, "efermi_hse": -5.318844067182311, "vbm_hse": -6.417524382694092, "cbm_hse": -4.22016375167053, "alphax_el": 3.4125110133817804, "alphay_el": 3.390159813774177, "alphaz_el": 0.42539135803313266, "alphax_lat": 2.175656875849451, "alphax": 5.588167889231231, "alphay_lat": 2.1746563107325296, "alphay": 5.564816124506707, "alphaz_lat": 0.0611795793671906, "alphaz": 0.48657093740032326, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.10955293934923382, "hform": -0.5209428387028678}


unique_id: 7e9692f9a3123c80d1081e1cf7cee458
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CdSe/Cd2Se2-90ae5f5d162d", "uid": "2CdSe-2", "olduid": "Cd2Se2-d0d1fb245e3f", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.470771849164634, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.24597774725407318, "hform": -0.3845180307980285}


unique_id: ad904796b5c70604afb1fde8158fc473
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AsSb/AsSb-c855428644c0", "uid": "1AsSb-1", "olduid": "AsSb-5f0b466f7a74", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.512579713942805, "label": "Wang23", "gap": 1.2617898760063389, "gap_dir": 1.5281539770450838, "gap_dir_nosoc": 1.7443934225259452, "evac": 2.723698394249692, "efermi": -4.342161229101711, "vbm": -4.973056167104881, "cbm": -3.711266291098542, "minhessianeig": -4.353696562998552e-14, "dyn_stab": "Yes", "gap_hse": 1.744939826923439, "gap_dir_hse": 2.1266154366485504, "efermi_hse": -4.390995156169918, "vbm_hse": -5.263465069631637, "cbm_hse": -3.5185252427081983, "alphax_el": 4.7184231555836185, "alphay_el": 4.7193765160443615, "alphaz_el": 0.32030431262111064, "alphax_lat": 0.18262537575826082, "alphax": 4.901048531341879, "alphay_lat": 0.1829887457640554, "alphay": 4.902365261808417, "alphaz_lat": 0.00013185205384834366, "alphaz": 0.320436164674959, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03904695079059284, "hform": 0.03904695079059284}


unique_id: c1328a26292eb363c8008d1816e8a6ab
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HMn/H2Mn2-ccdb924ec001", "uid": "2HMn-1", "olduid": "H2Mn2-ab85ba141af6", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.929598145422889, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.10073737195184229, "hform": 0.10073737195184229}


unique_id: e237111df459a3e83ae689a0b740fc64
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/FN/F2N2-63dc7bea357c", "uid": "2FN-1", "olduid": "F2N2-3632c0a267d8", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.988975622310475, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5894587688067041, "hform": 0.5894587688067041}


unique_id: 410556e407bc0f6453a3d0426e05e41e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FNb/F2Nb2-ac1683e0f5db", "uid": "2FNb-2", "olduid": "F2Nb2-ac1683e0f5db", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.834240246152448, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.1315116203215645, "efermi": -4.1230715097807655, "minhessianeig": -4.27524487548993, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.230852306089119, "hform": -0.8074587288511532}


unique_id: e4a32e2541998a30f05f0c12542f3590
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FNb/F2Nb2-ba6248010874", "uid": "2FNb-1", "olduid": "F2Nb2-ba6248010874", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.320847609090489, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.4814401178977015, "efermi": -4.500351721121887, "minhessianeig": -0.4694160473496996, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.15435823303395857, "hform": -1.8839528019063136}


unique_id: 6c81e6d5af3c3554ff141be28cccbc53
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Pd2O2", "uid": "1OPd-1", "olduid": "OPd-95e9ba90cac5", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 0.0, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.1687549569901796, "efermi": -5.402471497587687, "minhessianeig": -2.571893797834083, "dyn_stab": "No", "icsd_id": 41617, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.513361687175883, "hform": 0.03477598899057366}


unique_id: 599fbb3a4fb498b99974b7566f1348e9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/INa/I2Na2-ff6ca8f5ef64", "uid": "2INa-3", "olduid": "I2Na2-ef6db3e0cd77", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.535456767779376, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.10219483355078562, "hform": -1.194036016324238}


unique_id: 8d1fc3d459ad0286b9386a7903111794
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/INa/I2Na2-0ddf60a0c323", "uid": "2INa-1", "olduid": "I2Na2-9d38cae28918", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.565544801974471, "label": "Wang23", "gap": 3.5922221358166775, "gap_dir": 3.5922221358166775, "gap_dir_nosoc": 3.936259883672921, "evac": 2.4807165930582364, "efermi": -4.063066336439525, "vbm": -5.859177404347864, "cbm": -2.2669552685311865, "minhessianeig": -1.7671502905623988e-14, "dyn_stab": "Yes", "gap_hse": 4.48550493787608, "gap_dir_hse": 4.48550493787608, "efermi_hse": -4.269937752069683, "vbm_hse": -6.512690221007722, "cbm_hse": -2.0271852831316424, "alphax_el": 1.0861420594793125, "alphay_el": 1.0893362286972692, "alphaz_el": 0.3670809418533659, "alphax_lat": 2.2464949417055915, "alphax": 3.332637001184904, "alphay_lat": 2.2831020358204017, "alphay": 3.3724382645176707, "alphaz_lat": 0.18043781355966612, "alphaz": 0.5475187554130321, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04211649779822535, "hform": -1.2541143520767983}


unique_id: 9fa565d7ed600ed6d57b5630822b19b6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/INa/I2Na2-2da98b500a23", "uid": "2INa-2", "olduid": "I2Na2-9e4c1b64cc51", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.590029477265519, "label": "Wang23", "gap": 3.961232148966284, "gap_dir": 4.001485866194244, "gap_dir_nosoc": 4.320825945983868, "evac": 1.7611265315408278, "efermi": -4.43739076692, "vbm": -6.418006841403141, "cbm": -2.4567746924368574, "minhessianeig": -1.1412620461366905e-13, "dyn_stab": "Yes", "gap_hse": 4.881403333889766, "gap_dir_hse": 4.921722792244656, "efermi_hse": -4.668029097661011, "vbm_hse": -7.108730764605895, "cbm_hse": -2.2273274307161284, "alphax_el": 0.6144385818449386, "alphay_el": 0.6146299039683957, "alphaz_el": 0.2567557087398962, "alphax_lat": 0.8749735799355386, "alphax": 1.4894121617804772, "alphay_lat": 0.859629762820973, "alphay": 1.4742596667893686, "alphaz_lat": 0.09465020694233121, "alphaz": 0.35140591568222745, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08465476054405574, "hform": -1.211576089330968}


unique_id: 2dcf5e7cb92badbef9aa78c560a919a5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/INa/I6Na6-90bcbb67a1d5", "uid": "6INa-1", "olduid": "I6Na6-8ecaa265b042", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 6.723895322207881, "label": "Wang23", "gap": 3.450948325913317, "gap_dir": 3.450948325913317, "gap_dir_nosoc": 3.8263730710674206, "evac": 3.0579839022956046, "efermi": -3.9471208114710503, "vbm": -5.672594974427708, "cbm": -2.2216466485143918, "minhessianeig": -2.8498160604003187e-15, "dyn_stab": "Yes", "gap_hse": 4.338775146733397, "gap_dir_hse": 4.338775146733397, "efermi_hse": -4.152643981698663, "vbm_hse": -6.322031555065362, "cbm_hse": -1.9832564083319641, "alphax_el": 1.6163268779191038, "alphay_el": 1.6161238697257685, "alphaz_el": 0.5469809241548855, "alphax_lat": 3.411796137890665, "alphax": 5.0281230158097685, "alphay_lat": 3.485427104415873, "alphay": 5.101550974141642, "alphaz_lat": 0.41297137527167577, "alphaz": 0.9599522994265612, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03188683751175736, "hform": -1.2643440123632663}


unique_id: c302ce015db2b34831ad9b26088843ec
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgI/Ag2I2-0c52f79478e2", "uid": "2AgI-1", "olduid": "Ag2I2-0c52f79478e2", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.146719195634597, "label": "original03-18", "gap": 1.7684724011775892, "gap_dir": 1.7684724011775892, "gap_dir_nosoc": 2.0694817663445333, "evac": 3.342291050183256, "efermi": -4.530712395328195, "vbm": -5.41494859591699, "cbm": -3.646476194739401, "minhessianeig": -1.016029311202534e-15, "dyn_stab": "Yes", "gap_hse": 2.7818495819334284, "gap_dir_hse": 2.7818495819334284, "efermi_hse": -4.766130973738997, "vbm_hse": -6.157055764705712, "cbm_hse": -3.3752061827722835, "alphax_el": 2.183399270373048, "alphay_el": 2.1806098408483736, "alphaz_el": 0.46117858038278126, "alphax_lat": 2.473191110744064, "alphax": 4.6565903811171125, "alphay_lat": 2.458133131439455, "alphay": 4.638742972287829, "alphaz_lat": 0.04834684210498523, "alphaz": 0.5095254224877664, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 2105342, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.009961411810699483, "hform": -0.25894986412127974}


unique_id: b3f8685625fd7ac2ee120b9038aa3179
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgI/Ag2I2-d7506967a8d5", "uid": "2AgI-2", "olduid": "Ag2I2-d7506967a8d5", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.698973580214296, "label": "original03-18", "gap": 1.8740187751727029, "gap_dir": 1.8740187751727029, "gap_dir_nosoc": 2.1531926136412, "evac": 2.943899642743692, "efermi": -4.522961960946195, "vbm": -5.459971348532546, "cbm": -3.5859525733598434, "minhessianeig": -6.465003714959282e-12, "dyn_stab": "No", "gap_hse": 2.921885453642047, "gap_dir_hse": 2.921885453642047, "efermi_hse": -4.765253443419269, "vbm_hse": -6.22619617098695, "cbm_hse": -3.304310717344903, "E_B": 1.082457627330174, "alphax_el": 1.8792362356461678, "alphay_el": 1.879236235646167, "alphaz_el": 0.4152723461108175, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 1509387, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.016088031142700354, "hform": -0.25282324478927887}


unique_id: d75639f1a111c7568b7c0c7ff008cd84
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgI/Ag2I2-b63dea680da2", "uid": "2AgI-3", "olduid": "Ag2I2-e6b38b9ed7b6", "international": "Cmme", "number": 67, "has_inversion_symmetry": true, "lgnum": 48, "layergroup": "cmme", "bravais_type": "Centered rectangular (oc)", "thickness": 3.7625811277824663, "label": "Lyngby22_LDP", "gap": 2.508540348052807, "gap_dir": 2.508540348052807, "gap_dir_nosoc": 2.5823706846718446, "evac": 1.487256768101088, "efermi": -4.435186451087439, "vbm": -5.689456625113842, "cbm": -3.1809162770610353, "minhessianeig": -0.16278371317901613, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.051140804214701296, "hform": -0.21777047171727792}


unique_id: 36c89ab268398c612110ea0128c48a2c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag2I2-702d0967c2e9", "uid": "2AgI-4", "olduid": "Ag2I2-d2d339ac43d5", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.325505596950499, "label": "Wang23", "gap": 1.1459910352475586, "gap_dir": 1.1459910352475586, "gap_dir_nosoc": 1.3479807669772994, "evac": 3.120855800645601, "efermi": -4.891798710762506, "vbm": -5.464794228386285, "cbm": -4.318803193138727, "minhessianeig": -0.1517636723711229, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07529827559065, "hform": -0.19361300034132922}


unique_id: 316aa691fc27515a3fdb4602724590b5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClHf/Cl2Hf2-048380adb48d", "uid": "2ClHf-2", "olduid": "Cl2Hf2-048380adb48d", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.781205293630989, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.4581614711733955, "efermi": -3.962856414865628, "minhessianeig": -2.086972068598071, "dyn_stab": "No", "alphax_el": 6.992758597603745, "alphay_el": 6.9927585976037445, "alphaz_el": 0.343815756716877, "plasmafrequency_x": 7.3819329082285225, "plasmafrequency_y": 7.3819329082285225, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7131515004306728, "hform": -0.4685036748699254}


unique_id: 764d56d209b2dbb080c1ed1c767359ce
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClHf/Cl2Hf2-f352d5b19fd4", "uid": "2ClHf-1", "olduid": "Cl2Hf2-f352d5b19fd4", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.072265615331275, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.888159728137245, "efermi": -4.280824551619043, "minhessianeig": -2.304044554192418e-15, "dyn_stab": "Yes", "alphax_el": 27.883213893383342, "alphay_el": 28.14450431749064, "alphaz_el": 0.5417628329222691, "plasmafrequency_x": 6.628277544494134, "plasmafrequency_y": 6.683281612144594, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -1.1816551753005982}


unique_id: ad43a5f37a47f339b6cf04141a5167a8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AsTe/As2Te2-67fb99b5a1c6", "uid": "2AsTe-1", "olduid": "As2Te2-a6cfc731ed2a", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 2.4484413341696616, "label": "Lyngby22_LDP", "gap": 0.9338499007824226, "gap_dir": 1.1130422052579787, "gap_dir_nosoc": 1.1753054825008902, "evac": 2.689050251444379, "efermi": -4.540002580296321, "vbm": -5.006927530687532, "cbm": -4.073077629905109, "minhessianeig": -5.24677106183012e-15, "dyn_stab": "Yes", "gap_hse": 1.496138577144052, "gap_dir_hse": 1.6108740992774504, "efermi_hse": -4.6033008727492435, "vbm_hse": -5.351370161321269, "cbm_hse": -3.8552315841772176, "alphax_el": 5.84610315717875, "alphay_el": 4.010124079036771, "alphaz_el": 0.3650989427289691, "alphax_lat": 0.08845189882108165, "alphax": 5.934555055999832, "alphay_lat": 6.551027739745058, "alphay": 10.561151818781829, "alphaz_lat": 0.02785184114577312, "alphaz": 0.3929507838747422, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06055017543067972, "hform": 0.04650248352446651}


unique_id: 8e6c1d91cd558a4241ac30983b6f3f7a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AsTe/As2Te2-b5cc7bbf1cd7", "uid": "2AsTe-2", "olduid": "As2Te2-7e867ff7b0ea", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.31750313941046, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.24746725442578107, "hform": 0.23341956251956786}


unique_id: 4ad3bfbeedf47b9745ad2353c6a2ef47
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FOs/F2Os2-00bd077ea76c", "uid": "2FOs-3", "olduid": "F2Os2-00bd077ea76c", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.649007828461695, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.953494024400916, "efermi": -7.438151935086371, "minhessianeig": -20.910033033547723, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.746136779170011, "hform": 0.6702687682616766}


unique_id: 67ff405d0fe5eeba84e09f6c3d260062
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FOs/F2Os2-63abc51956be", "uid": "2FOs-1", "olduid": "F2Os2-63abc51956be", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.82776844855205, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.895883555463859, "efermi": -8.358455687091247, "minhessianeig": -3.1560956358632932e-15, "dyn_stab": "Yes", "alphax_el": 21.554871727929203, "alphay_el": 20.44082062803584, "alphaz_el": 0.507047619686218, "plasmafrequency_x": 14.343239211456844, "plasmafrequency_y": 14.90129314403426, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.13610830224705417, "hform": -0.9397597086612803}


unique_id: b17000b799797619ab02b219517a6a86
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/FOs/F2Os2-b99728c5cf91", "uid": "2FOs-2", "olduid": "F2Os2-898e2ee6f858", "international": "C2", "number": 5, "has_inversion_symmetry": false, "lgnum": 10, "layergroup": "c211", "bravais_type": "Centered rectangular (oc)", "thickness": 5.378148184834872, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3438373098861254, "hform": -0.7320307010222091}


unique_id: 43c0a2ba906e091fb73d8cf49992aada
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/SbSn/SbSn-65b7c67daef7", "uid": "1SbSn-1", "olduid": "SbSn-bc5b65fd15b6", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.2882186249592982, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.342100033053633, "hform": 0.342100033053633}


unique_id: be5fc6f6c3939e7d91512fcf2c64bcfa
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FeSe/Fe4Se4-69879f6ea92d", "uid": "4FeSe-1", "olduid": "Fe4Se4-3a7cdf8fe36b", "international": "Pbcm", "number": 57, "has_inversion_symmetry": true, "lgnum": 45, "layergroup": "pbma", "bravais_type": "Rectangular (op)", "thickness": 3.449353354789097, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.114396258288721, "efermi": -4.444941152002498, "minhessianeig": -5.407166952606506e-13, "dyn_stab": "Yes", "alphax_el": 16.601335409831588, "alphay_el": 19.0269989050329, "alphaz_el": 0.5799351392448192, "plasmafrequency_x": 4.020957775074145, "plasmafrequency_y": 4.430440943923019, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.6857700822138213, "dE_zy": -2.810588688362259, "halfmetal_gap": 0.0, "halfmetal_gap_dir": 0.0, "ehull": 0.07976701145716003, "hform": -0.19026033887018645}


unique_id: 8aece213560afbb9eec1663fff2d2f2c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/IIn/I4In4-40af53b1166e", "uid": "4IIn-1", "olduid": "I4In4-906858ec8464", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 6.993195882952771, "label": "Wang23", "gap": 1.4027583133670771, "gap_dir": 1.8072494322886883, "gap_dir_nosoc": 1.9201320650548943, "evac": 2.8028076687435703, "efermi": -3.776453614973763, "vbm": -4.477832771657302, "cbm": -3.0750744582902243, "minhessianeig": -1.8473804504621995e-14, "dyn_stab": "Yes", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06420052957083255, "hform": -0.4233485948229978}


unique_id: 2051ab0dfd22dc997ae522b0017a8a88
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IZr/I2Zr2-b7a9ed5caed5", "uid": "2IZr-2", "olduid": "I2Zr2-b7a9ed5caed5", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.3577225643720325, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.8403724581291443, "efermi": -3.575358575541727, "minhessianeig": -2.091347623944415e-11, "dyn_stab": "No", "alphax_el": 10.894995724794864, "alphay_el": 10.89499572479487, "alphaz_el": 0.46457572978444234, "plasmafrequency_x": 6.896578583681237, "plasmafrequency_y": 6.896578583681237, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.28971567400306864, "hform": -0.39351784742560003}


unique_id: 975186dcb22c172ea98fd20f88b974d0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IZr/I2Zr2-cbda059bd535", "uid": "2IZr-3", "olduid": "I2Zr2-cbda059bd535", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.391832659667396, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.957562282428989, "efermi": -3.077092208251204, "minhessianeig": -0.34478557708087215, "dyn_stab": "No", "gap_hse": 0.019936039883756473, "gap_dir_hse": 0.05475237458007698, "efermi_hse": -3.0216314290622552, "vbm_hse": -3.0315994490041334, "cbm_hse": -3.0116634091203767, "plasmafrequency_x": 1.2429903939741715, "plasmafrequency_y": 1.2696192407743898, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5928209176392754, "hform": -0.09041260378939331}


unique_id: 54d5058124f1107f822b1ece078873e3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/IZr/I2Zr2-2883c2f55825", "uid": "2IZr-1", "olduid": "I2Zr2-50316e2e0c20", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.606944764359904, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14150961795776063, "hform": -0.541723903470908}


unique_id: 486912ce01005a1f338aa56d126a2c2f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HNi/H2Ni2-8413cadfb9fc", "uid": "2HNi-1", "olduid": "H2Ni2-94c5b9bab62f", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.881891627244637, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.3141725116841716, "efermi": -5.223320870388433, "minhessianeig": -4.068129830368221e-15, "dyn_stab": "Yes", "alphax_el": 20.681200503301294, "alphay_el": 20.680879420613, "alphaz_el": 0.5937070877836286, "plasmafrequency_x": 9.329790248087619, "plasmafrequency_y": 9.33026667489315, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.053397585933762315, "hform": 0.01093133204084129}


unique_id: bb17798fbe865a982e2e5a5d3b5a92cc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OsS/Os2S2-1ddb7546fbf9", "uid": "2OsS-5", "olduid": "Os2S2-1ddb7546fbf9", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 3.5523829417442903, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.48045065522113, "efermi": -4.857245771690504, "minhessianeig": -12.376586142283035, "dyn_stab": "No", "alphax_el": 53.400620105486624, "alphay_el": 59.99805899466154, "alphaz_el": 0.48371135489714956, "plasmafrequency_x": 5.538132290818363, "plasmafrequency_y": 6.889204233341237, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6585375765731634, "hform": 0.37316325801643657}


unique_id: 765efb04f742e366573be2b08ceac2bc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OsS/Os2S2-4e6196794cbf", "uid": "2OsS-1", "olduid": "Os2S2-4e6196794cbf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.174456941240211, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.603858269002565, "efermi": -4.467899478337752, "minhessianeig": -2.398170802503718, "dyn_stab": "No", "alphax_el": 68.83477149822768, "alphay_el": 68.9038623616284, "alphaz_el": 1.2803962692308648, "plasmafrequency_x": 7.302577913833652, "plasmafrequency_y": 7.325481198559541, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.34647746155564363, "hform": 0.06110314299891684}


unique_id: 2d437338cb78d0771c2d4bb3031f8b12
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OsS/Os2S2-7c016e30f7e2", "uid": "2OsS-2", "olduid": "Os2S2-7c016e30f7e2", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.531714934482043, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.649562362561676, "efermi": -4.335608701394236, "minhessianeig": -6.01638948597268e-13, "dyn_stab": "Yes", "alphax_el": 10.15802294137506, "alphay_el": 10.306850860192261, "alphaz_el": 0.33582820844101474, "plasmafrequency_x": 7.286043971581025, "plasmafrequency_y": 7.304282459753061, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.362731203410509, "hform": 0.07735688485378223}


unique_id: 5d8e4ad20f3f2976eed8fe67ace49a3a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OsS/Os2S2-7f569ffa2458", "uid": "2OsS-3", "olduid": "Os2S2-7f569ffa2458", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.5580789946093505, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.096854491801401, "efermi": -4.423333201893846, "minhessianeig": -0.21839145449488181, "dyn_stab": "No", "alphax_el": 42.380006062875815, "alphay_el": 42.3242258317013, "alphaz_el": 0.573668183703986, "plasmafrequency_x": 10.945625268279521, "plasmafrequency_y": 10.947895326838147, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4467059725280782, "hform": 0.1613316539713514}


unique_id: ab052a5457af6f31895180cae4cbbec9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OsS/Os2S2-f33f76148f2b", "uid": "2OsS-4", "olduid": "Os2S2-f33f76148f2b", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.9956180112688475, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.5732062392022765, "efermi": -4.225630540383669, "minhessianeig": -0.019218340253379342, "dyn_stab": "No", "alphax_el": 18.24354226461351, "alphay_el": 18.243542264613506, "alphaz_el": 0.5814729638221243, "plasmafrequency_x": 9.708273985845235, "plasmafrequency_y": 9.708273985845235, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5455142600377973, "hform": 0.26013994148107056}


unique_id: d6c65130f5c19899ad7a27381bd5a917
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrHg/Br2Hg2-a392b9ac27a5", "uid": "2BrHg-3", "olduid": "Br2Hg2-a392b9ac27a5", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.324867149778242, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.0969106377304523, "efermi": -6.058555629967802, "minhessianeig": -2.5311818040614966, "dyn_stab": "No", "alphax_el": 2.479739930793401, "alphay_el": 2.4797399307934005, "alphaz_el": 0.4467253029908131, "plasmafrequency_x": 4.197130091053439, "plasmafrequency_y": 4.197130091053439, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.41390491442045674, "hform": -0.05120426333385186}


unique_id: e66daec1760a45c816fe8a39a587bf05
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrHg/Br2Hg2-af8820ebee08", "uid": "2BrHg-2", "olduid": "Br2Hg2-af8820ebee08", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.53244489209254, "label": "original03-18", "gap": 0.19286050560713308, "gap_dir": 0.19286050560713308, "gap_dir_nosoc": 0.0, "evac": 4.181729893458218, "efermi": -6.038860295875816, "vbm": -6.135290548679383, "cbm": -5.94243004307225, "minhessianeig": -1.146491251529729, "dyn_stab": "No", "gap_hse": 0.18958052067329234, "gap_dir_hse": 0.18958052067329234, "efermi_hse": -6.20383766032298, "vbm_hse": -6.2986279206596265, "cbm_hse": -6.109047399986334, "alphax_el": 19.613743702520292, "alphay_el": 19.632178104803536, "alphaz_el": 0.5575652619085446, "plasmafrequency_x": 0.15414335217802028, "plasmafrequency_y": 0.5951925700360453, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.21563596477738645, "hform": -0.24947321297692215}


unique_id: a6577786262cbe2585581f3efb2a7738
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BrHg/Br2Hg2-0477dbece68c", "uid": "2BrHg-1", "olduid": "Br2Hg2-915289d04444", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.769652273160982, "label": "Lyngby22_LDP", "gap": 1.5219565887362576, "gap_dir": 1.6349950427850792, "gap_dir_nosoc": 1.7208642109324, "evac": 3.817131703594473, "efermi": -6.0259874977829995, "vbm": -6.786965792151127, "cbm": -5.26500920341487, "minhessianeig": -3.7342948362287164e-16, "dyn_stab": "Yes", "gap_hse": 2.2368706866724466, "gap_dir_hse": 2.396556519354644, "efermi_hse": -6.248348860767605, "vbm_hse": -7.366784204103828, "cbm_hse": -5.1299135174313815, "alphax_el": 2.7124766662345148, "alphay_el": 2.7003746930849, "alphaz_el": 0.5713022810844269, "alphax_lat": 7.889951723792219, "alphax": 10.602428390026734, "alphay_lat": 7.897526635380447, "alphay": 10.597901328465348, "alphaz_lat": 0.07100876852339785, "alphaz": 0.6423110496078248, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.028083545550077416, "hform": -0.4370256322042312}


unique_id: 2d36a7213aae052ad7c8ed085615c331
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/INi/I2Ni2-2909bd3bb3fd", "uid": "2INi-1", "olduid": "I2Ni2-2909bd3bb3fd", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.8361532171609394, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.745405551955237, "efermi": -4.182421043873166, "minhessianeig": -1.3558877111869344e-15, "dyn_stab": "Yes", "alphax_el": 12.513318565023589, "alphay_el": 12.290608845135766, "alphaz_el": 0.5270369144385358, "plasmafrequency_x": 3.9292361016937503, "plasmafrequency_y": 3.9373725293231527, "is_magnetic": true, "spin_axis": "y", "dE_zx": 6.292270212611584, "dE_zy": 6.3150065561785595, "J": 78.30987898690485, "lam": -4.755704682641711, "A": 0.0, "spin": 0.5, "N_nn": 3, "ehull": 0.18404642962829687, "hform": 0.08677611932355589}


unique_id: 6917f09da37492d746f1e1dafd3eb4c2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/INi/I2Ni2-eef6595d4c78", "uid": "2INi-2", "olduid": "I2Ni2-eef6595d4c78", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.452203938468556, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.4190065590296843, "efermi": -3.9330777695548065, "minhessianeig": -1.3160765713294888e-11, "dyn_stab": "Yes", "alphax_el": 15.06377301229323, "alphay_el": 15.063773012293238, "alphaz_el": 0.4799905163593629, "plasmafrequency_x": 2.0231971221809353, "plasmafrequency_y": 2.0231971221809353, "is_magnetic": true, "spin_axis": "x", "dE_zx": 2.1302469560851023, "dE_zy": 2.130233491243416, "J": 111.90820497705545, "lam": -1.4439895780355982, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.19225777228079366, "hform": 0.09498746197605268}


unique_id: 53fde174883957267b0e277f0b53e92b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrCu/Br2Cu2-1d4af93f2f8f", "uid": "2BrCu-1", "olduid": "Br2Cu2-1d4af93f2f8f", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.633128232622054, "label": "original03-18", "gap": 1.5220541658489855, "gap_dir": 1.523285671843003, "gap_dir_nosoc": 1.6085393482040113, "evac": 3.0624233520746955, "efermi": -4.49958783405669, "vbm": -5.260614916981183, "cbm": -3.738560751132198, "minhessianeig": -9.577987751097137e-16, "dyn_stab": "Yes", "gap_hse": 3.4233528965141344, "gap_dir_hse": 3.4233528965141344, "efermi_hse": -5.175254673569288, "vbm_hse": -6.886931121826356, "cbm_hse": -3.4635782253122214, "gap_gw": 3.253356328474494, "gap_dir_gw": 3.346863905664347, "efermi_gw": -4.761203083588245, "vbm_gw": -6.387881247825492, "cbm_gw": -3.134524919350998, "alphax_el": 2.015821224574361, "alphay_el": 2.012359998354518, "alphaz_el": 0.41197483019883635, "alphax_lat": 5.254663069496395, "alphax": 7.270484294070757, "alphay_lat": 5.19623164902087, "alphay": 7.208591647375388, "alphaz_lat": 0.042779382588223384, "alphaz": 0.45475421278705974, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.023692280776995922, "hform": -0.2805635674607463}


unique_id: 8bbfbb5ae87e843a65e2737d8a7c7b9b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrCu/Br2Cu2-c8531601b146", "uid": "2BrCu-3", "olduid": "Br2Cu2-c8531601b146", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.2828909017101067, "label": "original03-18", "gap": 1.496000284097117, "gap_dir": 1.496000284097117, "gap_dir_nosoc": 1.5518378188060913, "evac": 2.8267634927723035, "efermi": -4.470430596282938, "vbm": -5.218430738331497, "cbm": -3.72243045423438, "minhessianeig": -2.9071189991863904e-12, "dyn_stab": "Yes", "gap_hse": 3.4752210215370996, "gap_dir_hse": 3.4752210215370996, "efermi_hse": -5.143659276869103, "vbm_hse": -6.881269789813791, "cbm_hse": -3.4060487682766913, "gap_gw": 3.317619448513526, "gap_dir_gw": 3.317619448513526, "efermi_gw": -4.774444793830301, "vbm_gw": -6.433254518056513, "cbm_gw": -3.1156350695429875, "E_B": 1.2710565754193874, "alphax_el": 1.811528363877703, "alphay_el": 1.811528363877704, "alphaz_el": 0.3754157153863409, "alphax_lat": 7.012876141402453, "alphax": 8.824404505280157, "alphay_lat": 6.9840112695399394, "alphay": 8.795539633417643, "alphaz_lat": 0.03440655315659799, "alphaz": 0.4098222685429389, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 9013931, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0298248033084465, "hform": -0.2744310449292957}


unique_id: 464ab4cf9e8c9b79ce6e7b2c3158c13b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BrCu/Br2Cu2-f16de2ef7954", "uid": "2BrCu-2", "olduid": "Br2Cu2-28b953f16d33", "international": "Cmme", "number": 67, "has_inversion_symmetry": true, "lgnum": 48, "layergroup": "cmme", "bravais_type": "Centered rectangular (oc)", "thickness": 3.773395206342208, "label": "Lyngby22_LDP", "gap": 2.3920960744193502, "gap_dir": 2.3920960744193502, "gap_dir_nosoc": 2.4075823762695503, "evac": 1.4537505472523597, "efermi": -4.248621515261477, "vbm": -5.444669552471153, "cbm": -3.0525734780518015, "minhessianeig": -0.19537951644230747, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.027793241908293798, "hform": -0.2764626063294484}


unique_id: 34bcd43f192d06fde188c0c0530baac8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FK/F2K2-1a3c550a375a", "uid": "2FK-1", "olduid": "F2K2-1a3c550a375a", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.629703278769222, "label": "original03-18", "gap": 4.964089527280328, "gap_dir": 4.964089527280328, "gap_dir_nosoc": 4.986635259282483, "evac": 0.9369678834475096, "efermi": -3.5711898150139314, "vbm": -6.053234578654096, "cbm": -1.0891450513737675, "minhessianeig": -0.07879268892214103, "dyn_stab": "No", "gap_hse": 7.021843569419415, "gap_dir_hse": 7.021843569419415, "efermi_hse": -4.398830718658938, "vbm_hse": -7.909752506052102, "cbm_hse": -0.8879089366326867, "E_B": 2.3858035488452924, "alphax_el": 0.2277441744476993, "alphay_el": 0.2277441744476995, "alphaz_el": 0.11536324450669913, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.14695954729393002, "hform": -2.6565775783354066}


unique_id: 2cec5b2fe643868523d753dd04a09e79
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AuI/Au3I3-3f6c1551a2e1", "uid": "3AuI-1", "olduid": "Au3I3-878242511f90", "international": "P2", "number": 3, "has_inversion_symmetry": false, "lgnum": 8, "layergroup": "p211", "bravais_type": "Rectangular (op)", "thickness": 4.138119080070736, "label": "Wang23", "gap": 1.8983904485378702, "gap_dir": 1.942775773554829, "gap_dir_nosoc": 2.2091271763749143, "evac": 2.3131052746037257, "efermi": -4.651437490473009, "vbm": -5.600632714741945, "cbm": -3.702242266204074, "minhessianeig": -0.07536838849630387, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06348822927781302, "hform": -0.034760730842412414}


unique_id: e85712d4f144206a1b05bd6645c204c0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AuI/Au3I3-a6c58a19e698", "uid": "3AuI-2", "olduid": "Au3I3-561d26d62051", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 4, "layergroup": "p11m", "bravais_type": "Oblique (mp)", "thickness": 5.256347456615965, "label": "Wang23", "gap": 1.430193225565541, "gap_dir": 1.8663099806020844, "gap_dir_nosoc": 2.0628492885946685, "evac": 2.7451675270095457, "efermi": -4.580951109889008, "vbm": -5.296047722671778, "cbm": -3.8658544971062376, "minhessianeig": -0.010484426272243346, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07362764195136018, "hform": -0.024621318168865258}


unique_id: 36613d4447b905ab7361fadfe71f18e2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReS/Re2S2-1c04b3436460", "uid": "2ReS-2", "olduid": "Re2S2-1c04b3436460", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.4369755014041887, "label": "original03-18", "gap": 0.23667333554301437, "gap_dir": 0.31049781410451016, "gap_dir_nosoc": 0.0, "evac": 4.008530433341778, "efermi": -3.7255352504664434, "vbm": -3.8438719182379506, "cbm": -3.607198582694936, "minhessianeig": -1.4267411886478893e-14, "dyn_stab": "Yes", "gap_hse": 0.31937587787650706, "gap_dir_hse": 0.31937587787650706, "efermi_hse": -3.591340208732106, "vbm_hse": -3.715001481025664, "cbm_hse": -3.395625603149157, "alphax_el": 17.741443990529255, "alphay_el": 18.22653676921658, "alphaz_el": 0.3904437453419938, "alphax_lat": 2534.331730335012, "alphax": 2552.073174325541, "alphay_lat": 1182.889824775078, "alphay": 1201.1163615442947, "alphaz_lat": 0.0005608830888994357, "alphaz": 0.39100462843089323, "plasmafrequency_x": 0.20869410501385016, "plasmafrequency_y": 0.6857620331644961, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.5459736091169995, "hform": 0.10125975940854559}


unique_id: fcd7794ca023429eb01e042617db0948
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReS/Re2S2-08a0bb8cd5c7", "uid": "2ReS-1", "olduid": "Re2S2-08a0bb8cd5c7", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 5.8606394973579485, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.377474541263995, "efermi": -4.895499883760392, "minhessianeig": -1.7592745997140056, "dyn_stab": "No", "alphax_el": 32.19223340279182, "alphay_el": 32.19223340279185, "alphaz_el": 0.7105840318116018, "plasmafrequency_x": 10.337108219314832, "plasmafrequency_y": 10.337108219314832, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.45810593669396305, "hform": 0.013392086985509088}


unique_id: 64933906913f297d8ee995f0650b4613
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReS/Re2S2-0bc42d14e488", "uid": "2ReS-3", "olduid": "Re2S2-0bc42d14e488", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.935075131274832, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.884487377893394, "efermi": -4.473221344915355, "minhessianeig": -3.103795835602942e-13, "dyn_stab": "No", "alphax_el": 10.058260537028655, "alphay_el": 10.290997546743167, "alphaz_el": 0.5214260706863609, "plasmafrequency_x": 8.31851488372321, "plasmafrequency_y": 8.598836717007016, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5470936258611214, "hform": 0.10237977615266747}


unique_id: afbf6e6b0adbcd06f62d345c13982e12
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReS/Re2S2-3f7843d31734", "uid": "2ReS-4", "olduid": "Re2S2-3f7843d31734", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 3.364640508695662, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.4890685945184625, "efermi": -4.653590421599711, "minhessianeig": -14.078651579915071, "dyn_stab": "No", "alphax_el": 31.15558964169383, "alphay_el": 29.542856588071807, "alphaz_el": 0.4287067659766679, "plasmafrequency_x": 5.934550836961524, "plasmafrequency_y": 6.639342762310749, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.614801106757767, "hform": 0.17008725704931305}


unique_id: 67ed0ad2e77bcdf8a1d7d04a8551e458
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IY/I2Y2-c51c0bd4fcd5", "uid": "2IY-2", "olduid": "I2Y2-c51c0bd4fcd5", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.577344786553816, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.4132384357075587, "efermi": -3.715445672713491, "minhessianeig": -0.17209147235858113, "dyn_stab": "No", "alphax_el": 5.845357239723393, "alphay_el": 5.845357239723396, "alphaz_el": 0.45826846031392704, "plasmafrequency_x": 6.467696931052284, "plasmafrequency_y": 6.467696931052284, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.10310146910796902, "dE_zy": -0.10306246247182571, "J": 36.493409128524945, "lam": 0.0702002030834592, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.4237852163486626, "hform": -0.5573201998450292}


unique_id: 7be5f26039a2046e96ef498a8574e69a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Y2I2", "uid": "2IY-1", "olduid": "I2Y2-fabecc900154", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 7.064170691777369, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.791402826275677, "efermi": -4.087461532086484, "minhessianeig": -2.2845286710652173e-15, "dyn_stab": "Yes", "alphax_el": 20.546302326887943, "alphay_el": 20.6568818293899, "alphaz_el": 0.6899502563976285, "plasmafrequency_x": 4.768285631588419, "plasmafrequency_y": 4.786705183047962, "icsd_id": 151974, "is_magnetic": true, "spin_axis": "y", "dE_zx": 0.3132234709255499, "dE_zy": 0.31327548140325234, "J": 37.91696958023749, "lam": -0.07427223216735811, "A": 0.0, "spin": 0.5, "N_nn": 9, "halfmetal_gap": 0.0, "halfmetal_gap_dir": 0.0, "ehull": 0.09363845296357098, "hform": -0.8874669632301209}


unique_id: c550e1c6c28357e67eaf8a88359a1962
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/AsGe/AsGe-f73ad965f847", "uid": "1AsGe-1", "olduid": "AsGe-7404692e6127", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 1.814597408237078, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.39721030311079125, "hform": 0.34925460695018185}


unique_id: f1cc0649401f41fbc27b08b03143700d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaO/Ga2O2-16c96094d1a0", "uid": "2GaO-1", "olduid": "Ga2O2-16c96094d1a0", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.0116335709628, "label": "original03-18", "gap": 1.5563983376369386, "gap_dir": 2.067345049283366, "gap_dir_nosoc": 2.0675948680550187, "evac": 3.733334407296101, "efermi": -6.335183895959014, "vbm": -7.113383064777484, "cbm": -5.556984727140545, "minhessianeig": -2.4183190847897587e-14, "dyn_stab": "Yes", "gap_hse": 2.471979283336589, "gap_dir_hse": 3.27092932064087, "efermi_hse": -6.296825959286707, "vbm_hse": -7.7948304476863575, "cbm_hse": -5.3228511643497685, "gap_gw": 3.8514748749556778, "gap_dir_gw": 4.388454318098576, "efermi_gw": -6.444326508412005, "vbm_gw": -8.370063945889843, "cbm_gw": -4.518589070934166, "E_B": 1.2876569925848194, "alphax_el": 2.1958183890444833, "alphay_el": 2.1958183890444873, "alphaz_el": 0.38965411523163446, "alphax_lat": 1.721170742995002, "alphax": 3.916989132039485, "alphay_lat": 1.7143216365021223, "alphay": 3.9101400255466094, "alphaz_lat": 0.08266461872280428, "alphaz": 0.47231873395443874, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.060050468515000066, "hform": -1.4504072317143537}


unique_id: 5e5e157d401a8058aa7302ae0cc7a287
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaO/Ga2O2-484864d3132e", "uid": "2GaO-4", "olduid": "Ga2O2-484864d3132e", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 1.4139877180241456e-07, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.9120256613511448, "efermi": -3.159824020895221, "minhessianeig": -18.216816152630336, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6975802794076462, "hform": -0.8128774208217076}


unique_id: 7ea3a048e6fffbfa476335827131f820
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GaO/Ga2O2-3bf9eee1b419", "uid": "2GaO-3", "olduid": "Ga2O2-4722a1f617a7", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.2929826745569013, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5959782988907141, "hform": -0.9144794013386397}


unique_id: 68ed1c4752a236b0a925774c29d3f160
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GaO/Ga2O2-77bd91409bbb", "uid": "2GaO-2", "olduid": "Ga2O2-246f99de7589", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.014362454387992, "label": "Lyngby22_LDP", "gap": 1.4675908708128733, "gap_dir": 1.9852487304756616, "gap_dir_nosoc": 1.9854962372528284, "evac": 3.408111713885857, "efermi": -6.340589088664849, "vbm": -7.074384524071286, "cbm": -5.606793653258412, "minhessianeig": -2.3940295102426852e-14, "dyn_stab": "Yes", "gap_hse": 2.4233230846756006, "gap_dir_hse": 3.185195266637219, "efermi_hse": -6.5915783135600226, "vbm_hse": -7.803239855897822, "cbm_hse": -5.379916771222222, "alphax_el": 2.13380844214552, "alphay_el": 2.133693441812693, "alphaz_el": 0.3908393447362973, "alphax_lat": 1.7143584724183507, "alphax": 3.848166914563871, "alphay_lat": 1.7141179369107256, "alphay": 3.847811378723419, "alphaz_lat": 0.0703967763212175, "alphaz": 0.46123612105751477, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06105586278337727, "hform": -1.4494018374459765}


unique_id: 3ecafbee8cb1a545bd248d07e0da3bbd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CoH/Co2H2-f226a8753906", "uid": "2CoH-1", "olduid": "Co2H2-6b2a557ac435", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.8743787336122235, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7398637778500357, "efermi": -4.85614400104772, "dyn_stab": "Unknown", "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.10806993601875092, "dE_zy": -0.10052048627073873, "ehull": 0.08344815162756092, "hform": 0.08344815162756092}


unique_id: 55268706431f51298f6f7f1ace0c4d75
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeTa/Se2Ta2-253d7a90999f", "uid": "2SeTa-4", "olduid": "Se2Ta2-253d7a90999f", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.268531049774321, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.916089127238781, "efermi": -4.963466471770834, "minhessianeig": -1.9466923857298657, "dyn_stab": "No", "alphax_el": 49.13268764163482, "alphay_el": 49.18567552765944, "alphaz_el": 0.6505628862579808, "plasmafrequency_x": 6.140523657745797, "plasmafrequency_y": 6.142207245681167, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5500375212843621, "hform": -0.1265071911111999}


unique_id: 8513db42cb4abfde662116ae452f2922
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeTa/Se2Ta2-38b6000dcfef", "uid": "2SeTa-2", "olduid": "Se2Ta2-38b6000dcfef", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.706691183552736, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.171037069652888, "efermi": -4.614717609607643, "minhessianeig": -3.897735596483872, "dyn_stab": "No", "alphax_el": 20.47628824184881, "alphay_el": 21.271018459965394, "alphaz_el": 0.6570341701349545, "plasmafrequency_x": 11.185936860509237, "plasmafrequency_y": 11.199872357454675, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.33422992916777805, "hform": -0.34231478322778397}


unique_id: ef9a06f576785805d6b8a713924568b7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeTa/Se2Ta2-a09ba42284b7", "uid": "2SeTa-3", "olduid": "Se2Ta2-a09ba42284b7", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.836519607165134, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.196504943603015, "efermi": -3.786276915943773, "minhessianeig": -1.7174593713986053e-14, "dyn_stab": "No", "alphax_el": 9.43444251017288, "alphay_el": 9.500835486632083, "alphaz_el": 0.42032175034000474, "plasmafrequency_x": 5.558614599614485, "plasmafrequency_y": 5.6035339264249755, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.37571873048226856, "hform": -0.30082598191329346}


unique_id: d02a6a3d298e0a9e48a32965d13033e7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeTa/Se2Ta2-cfa7477c5e85", "uid": "2SeTa-1", "olduid": "Se2Ta2-cfa7477c5e85", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.7418770350867616, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.16700011429867, "efermi": -5.384743245527172, "minhessianeig": -14.251155151294412, "dyn_stab": "No", "alphax_el": 105.75804797771755, "alphay_el": 101.44896722459976, "alphaz_el": 0.4669710392619461, "plasmafrequency_x": 7.781591911592874, "plasmafrequency_y": 7.854658682745111, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2979114144579392, "hform": -0.3786332979376228}


unique_id: a851b61e3dcbd066c95fce1b69651e9d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeTa/Se2Ta2-d1a2e3b69ba5", "uid": "2SeTa-5", "olduid": "Se2Ta2-d1a2e3b69ba5", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 6.405651028517327, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.078962603484294, "efermi": -5.152426102258351, "minhessianeig": -1.955970093608171, "dyn_stab": "No", "alphax_el": 22.728752976385792, "alphay_el": 22.728752976385792, "alphaz_el": 0.7301833355270558, "plasmafrequency_x": 6.647990770548834, "plasmafrequency_y": 6.647990770548834, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.554774659486733, "hform": -0.12177005290882903}


unique_id: fd774f2acbe2ac7a2216ee9337ff0b10
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClRe/Cl2Re2-739cb2a0975e", "uid": "2ClRe-2", "olduid": "Cl2Re2-739cb2a0975e", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.457387838704842, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.480322442108736, "efermi": -5.357858088814093, "minhessianeig": -26.361338322377478, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.457902898164365, "hform": 0.9933221955594522}


unique_id: 67e7f00aa58aa85635d0099b49938d1f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClRe/Cl2Re2-77bb3039eb7b", "uid": "2ClRe-1", "olduid": "Cl2Re2-77bb3039eb7b", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.226276963155097, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.6747519634032475, "efermi": -4.924499733009943, "minhessianeig": -3.3543081940149894e-15, "dyn_stab": "No", "alphax_el": 194.18431588538945, "alphay_el": 222.86143664497618, "alphaz_el": 0.6645121197796777, "plasmafrequency_x": 3.4251396777998906, "plasmafrequency_y": 3.6758900597187836, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.493036655834092, "hform": 0.028455953229179265}


unique_id: ffbb85b97ab6de177b88b2fd35905803
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeSn/Se2Sn2-5236d993e815", "uid": "2SeSn-5", "olduid": "Se2Sn2-5236d993e815", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 9.89810591445206e-06, "label": "original03-18", "gap": 0.08432201573168774, "gap_dir": 0.14916898252757815, "gap_dir_nosoc": 0.0, "evac": 2.1765170663546076, "efermi": -3.9847669675702853, "vbm": -4.026927975436129, "cbm": -3.9426059597044416, "minhessianeig": -4.6682117326580315, "dyn_stab": "No", "gap_hse": 0.0861501021490938, "gap_dir_hse": 0.1723286851442658, "efermi_hse": -3.865790943434515, "vbm_hse": -3.8862508021808315, "cbm_hse": -3.8001007000317375, "E_B": 0.30537393450425754, "alphax_el": 8.229089743796726, "alphay_el": 8.229089743796733, "alphaz_el": 0.22326988529740563, "plasmafrequency_x": 3.467162581771534, "plasmafrequency_y": 3.467162581771534, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "C_M=2", "ehull": 0.40688341917239956, "hform": -0.024837113917320686}


unique_id: 3b60189f61bc8b0c184432ba571e63e2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeSn/Se2Sn2-95443c1cf2fb", "uid": "2SeSn-1", "olduid": "Se2Sn2-95443c1cf2fb", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 2.75852688229722, "label": "original03-18", "gap": 0.9225352561217924, "gap_dir": 0.9874670769332978, "gap_dir_nosoc": 1.0425914479022689, "evac": 3.3942099688054945, "efermi": -3.9140826646886246, "vbm": -4.375350292749521, "cbm": -3.452815036627728, "minhessianeig": -3.143899171742627e-12, "dyn_stab": "Yes", "gap_hse": 1.3454340184755553, "gap_dir_hse": 1.4169145611392542, "efermi_hse": -3.95368482700139, "vbm_hse": -4.632561045142301, "cbm_hse": -3.2871270266667456, "gap_gw": 1.6285283424022705, "gap_dir_gw": 1.6434787576924266, "efermi_gw": -4.202741566537135, "vbm_gw": -5.01700573773827, "cbm_gw": -3.3884773953359995, "E_B": 0.44438732182753515, "alphax_el": 9.348809833975318, "alphay_el": 9.72622883286518, "alphaz_el": 0.41478672861263616, "alphax_lat": 25.835218774092148, "alphax": 35.184028608067464, "alphay_lat": 57.85793563056302, "alphay": 67.5841644634282, "alphaz_lat": 0.02706043879172225, "alphaz": 0.4418471674043584, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 1537675, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 218.95055996001187, "ehull": 0.04291684954166897, "hform": -0.3888036835480513}


unique_id: ac0fc977044c75392e3a29274ca6ed31
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/adhoc_materials/Sn2Se2", "uid": "2SeSn-2", "olduid": "Se2Sn2-fdc2b9533037", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 2.05025548887435, "label": "adhoc_material", "gap": 1.5895129483586574, "gap_dir": 1.7950897822131988, "gap_dir_nosoc": 1.8613576995672716, "evac": 2.5875529674720372, "efermi": -4.224405868804258, "vbm": -5.019162342983587, "cbm": -3.4296493946249296, "minhessianeig": -1.2211277309678142e-13, "dyn_stab": "Yes", "gap_hse": 2.221719185623071, "gap_dir_hse": 2.4467737462251, "efermi_hse": -4.333968813151081, "vbm_hse": -5.444828405962616, "cbm_hse": -3.2231092203395457, "alphax_el": 6.2411074749898425, "alphay_el": 2.86596255484596, "alphaz_el": 0.3426458810191232, "alphax_lat": 51.71479420931309, "alphax": 57.95590168430293, "alphay_lat": 2.2870461885324342, "alphay": 5.153008743378394, "alphaz_lat": 0.014174287640085877, "alphaz": 0.35682016865920907, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 106.730121153698, "ehull": 0.0708486545084348, "hform": -0.36087187858128544}


unique_id: d49f29394019d673a5e3b71d7911bf49
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/SeSn/Se2Sn2-3f36131e8188", "uid": "2SeSn-4", "olduid": "Se2Sn2-2c8234924fe5", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.927079894652735, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3066620756154079, "hform": -0.12505845747431232}


unique_id: cabaed2a66947bd0dedaf06bcac4f457
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/SeSn/Se2Sn2-fbbf9f3a12c8", "uid": "2SeSn-3", "olduid": "Se2Sn2-565a6a2c9ecf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.7793914498144368, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14576260572617006, "hform": -0.2859579273635502}


unique_id: f40d9d4c88b9291ef1150dedc377fdcb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SSi/S2Si2-69702d06a33e", "uid": "2SSi-2", "olduid": "S2Si2-69702d06a33e", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 9.325873406851315e-14, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.3266529297481187, "efermi": -4.244355958831963, "minhessianeig": -4.629988434286033, "dyn_stab": "No", "alphax_el": 3.586825538272204, "alphay_el": 3.5868255382722034, "alphaz_el": 0.21328522504544922, "plasmafrequency_x": 11.778122300409375, "plasmafrequency_y": 11.778122300409375, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.9126326404622733, "hform": 0.40982389100151373}


unique_id: 529251dedb84d4afcc59ee4d57e6550e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SSi/S2Si2-0726c763a59a", "uid": "2SSi-1", "olduid": "S2Si2-0726c763a59a", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 2.5105958882838832, "label": "original03-18", "gap": 1.4165294564125812, "gap_dir": 1.5485506024186666, "gap_dir_nosoc": 1.5492377384138512, "evac": 3.0863693065460867, "efermi": -4.635806293813062, "vbm": -5.344071022019353, "cbm": -3.927541565606772, "minhessianeig": -1.0118221510471356e-11, "dyn_stab": "Yes", "gap_hse": 2.1383677372253835, "gap_dir_hse": 2.2852201527069194, "efermi_hse": -4.722911138509624, "vbm_hse": -5.776810401748737, "cbm_hse": -3.638442664523353, "gap_gw": 2.8837959286969523, "gap_dir_gw": 3.038629819429393, "efermi_gw": -5.013758738865106, "vbm_gw": -6.455656703213582, "cbm_gw": -3.57186077451663, "E_B": 0.9085979803221904, "alphax_el": 3.3555875945405425, "alphay_el": 3.3663185416395525, "alphaz_el": 0.35744023765479055, "alphax_lat": 1.83011090436341, "alphax": 5.185698498903952, "alphay_lat": 1.493905584593013, "alphay": 4.860224126232565, "alphaz_lat": 0.020306852292350484, "alphaz": 0.377747089947141, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.44640914189441405, "hform": -0.056399607566345544}


unique_id: 5216c5c1c912d6cb754b5144f38cd8a8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag3Cl3-c781581c544a", "uid": "3AgCl-4", "olduid": "Ag3Cl3-2a5c47b9c5bb", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 2.5767879209535796, "label": "Wang23", "gap": 1.9449018809911696, "gap_dir": 2.058576353857797, "gap_dir_nosoc": 2.1410514809286365, "evac": 1.9408262935707299, "efermi": -5.313870378621723, "vbm": -6.286321319117308, "cbm": -4.341419438126138, "minhessianeig": -0.04334256302027225, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.039052268291747204, "hform": -0.39956448362709523}


unique_id: 6db807d05db4e62ef4c5a6694bcad706
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag3Cl3-b57fe3cdff10", "uid": "3AgCl-1", "olduid": "Ag3Cl3-ba44b1cf68bb", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 4.875876623708263, "label": "Wang23", "gap": 1.9371204282959207, "gap_dir": 1.9371204282959207, "gap_dir_nosoc": 1.9609247334443023, "evac": 2.731313181865079, "efermi": -5.46125280533515, "vbm": -6.42981301948311, "cbm": -4.492692591187189, "minhessianeig": -0.0020015091500502156, "dyn_stab": "Yes", "gap_hse": 3.209367309002789, "gap_dir_hse": 3.209367309002789, "efermi_hse": -5.974198313629597, "vbm_hse": -7.578881968130991, "cbm_hse": -4.369514659128203, "alphax_el": 1.4300515362517165, "alphay_el": 1.6182686105899642, "alphaz_el": 0.3865755791066979, "alphax_lat": 2.2533527422481794, "alphax": 3.683404278499896, "alphay_lat": 2.6853801038183045, "alphay": 4.3036487144082685, "alphaz_lat": 0.0874375869848168, "alphaz": 0.47401316609151467, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -0.4386167519188424}


unique_id: 27943ffc112e956b4e7a75e3f928ddfb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag3Cl3-3c0b21bcdaa0", "uid": "3AgCl-3", "olduid": "Ag3Cl3-594ff0e9887a", "international": "P2", "number": 3, "has_inversion_symmetry": false, "lgnum": 8, "layergroup": "p211", "bravais_type": "Rectangular (op)", "thickness": 4.653556156158656, "label": "Wang23", "gap": 2.496559741287616, "gap_dir": 2.5087762307454953, "gap_dir_nosoc": 2.528542607505899, "evac": 2.276863772645151, "efermi": -5.244169840621838, "vbm": -6.492449711265646, "cbm": -3.99588996997803, "minhessianeig": -0.02722499908094746, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.01891050590596007, "hform": -0.41970624601288237}


unique_id: e76fae3375e38a610e7ea39145a74901
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgCl/Ag3Cl3-6a8b159ad800", "uid": "3AgCl-2", "olduid": "Ag3Cl3-c0b6a59f2b19", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 6.1384504810514375, "label": "Wang23", "gap": 1.1736266458257285, "gap_dir": 1.2077995296251456, "gap_dir_nosoc": 1.2587286481105446, "evac": 3.577774050972173, "efermi": -5.261535934761364, "vbm": -5.8483492576742275, "cbm": -4.6747226118485, "minhessianeig": -0.3736197694677481, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.012190455661227043, "hform": -0.42642629625761536}


unique_id: 84f99439011b4439688da6abd7f3346e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrIr/Br2Ir2-8e5284c4968c", "uid": "2BrIr-1", "olduid": "Br2Ir2-8e5284c4968c", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.136404440514304, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.136665559858988, "efermi": -4.594776689414045, "minhessianeig": -1.1897382303763417, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7310967729227471, "hform": 0.5052837526564495}


unique_id: 6b4c4ad7794eb46b33ef5e14c37ca416
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrIr/Br2Ir2-21b3adf2fac8", "uid": "2BrIr-2", "olduid": "Br2Ir2-21b3adf2fac8", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.425242144134604, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.243303880818896, "efermi": -5.308886307944491, "minhessianeig": -8.699648805051599, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.064835754907449, "hform": 0.8390227346411514}


unique_id: 1a4b86b30e0fc0d609b1872cf0ca5de9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeSn/SeSn-d59c96fdfda1", "uid": "1SeSn-1", "olduid": "SeSn-d59c96fdfda1", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.55862068872782, "label": "original03-18", "gap": 2.176639794741175, "gap_dir": 2.3901642737233493, "gap_dir_nosoc": 2.460382949311417, "evac": 2.654797474236564, "efermi": -4.653390912887351, "vbm": -5.741710810257938, "cbm": -3.5650710155167635, "minhessianeig": -7.290196371168731e-15, "dyn_stab": "Yes", "gap_hse": 2.7880554455028292, "gap_dir_hse": 3.0448602518542045, "efermi_hse": -4.459502385321434, "vbm_hse": -6.168206312267722, "cbm_hse": -3.3801508667648927, "gap_gw": 3.6645807157786874, "gap_dir_gw": 3.885267701328339, "efermi_gw": -5.039636361245005, "vbm_gw": -6.871926719134349, "cbm_gw": -3.2073460033556613, "alphax_el": 2.9253105732337303, "alphay_el": 2.9253105732337294, "alphaz_el": 0.31347089411484513, "alphax_lat": 1.5381642250910816, "alphax": 4.463474798324812, "alphay_lat": 1.5816169450530548, "alphay": 4.506927518286784, "alphaz_lat": 0.00532603882111078, "alphaz": 0.3187969329359559, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09833069070445521, "hform": -0.33338984238526503}


unique_id: 1d52b0948202f15f51b5f28c4df07704
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgSb/Ag4Sb4-0e3e5d56aa72", "uid": "4AgSb-1", "olduid": "Ag4Sb4-079d2d6762f5", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 5.172724006515619, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1942109132683223, "hform": 0.1942109132683223}


unique_id: 3071affb5b2cf0afa02389d4a326370a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AuSb/Au4Sb4-56a35e13d41d", "uid": "4AuSb-1", "olduid": "Au4Sb4-efdda4315ea1", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 5.244074868836893, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2169520240994589, "hform": 0.14897066707415085}


unique_id: 5d83fa30ddce89a4d7a91a2afdad3d8b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoSe/Co2Se2-17ef6bf46fb6", "uid": "2CoSe-2", "olduid": "Co2Se2-17ef6bf46fb6", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.0842128926616237, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6471073585977205, "efermi": -4.416230114734846, "minhessianeig": -5.943686092828204e-15, "dyn_stab": "Yes", "alphax_el": 37.84072593541255, "alphay_el": 37.391465612736816, "alphaz_el": 0.6341378288863546, "plasmafrequency_x": 7.60227169133713, "plasmafrequency_y": 7.655964793825161, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05783515346010776, "hform": -0.22470001333167122}


unique_id: 1c0d38aee9e9aab8135465bf3d2defcd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoSe/Co2Se2-270172f24fd5", "uid": "2CoSe-5", "olduid": "Co2Se2-270172f24fd5", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.7606917533042346, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.522191468647, "efermi": -4.376898450414608, "minhessianeig": -1.065322808778421, "dyn_stab": "No", "alphax_el": 19.659093073201785, "alphay_el": 19.659093073201788, "alphaz_el": 0.7285555647327294, "plasmafrequency_x": 6.082206691059639, "plasmafrequency_y": 6.08220669105964, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3830269845367377, "hform": 0.10049181774495874}


unique_id: 17b59a8726366c78a68c2d770971aac0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoSe/Co2Se2-377c23322ac6", "uid": "2CoSe-3", "olduid": "Co2Se2-377c23322ac6", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.14379945462594, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.8859997441506806, "efermi": -4.824546679934341, "minhessianeig": -0.1296496513318694, "dyn_stab": "No", "alphax_el": 32.175392063290246, "alphay_el": 31.70765379561386, "alphaz_el": 0.49291328180389926, "plasmafrequency_x": 4.18992704936814, "plasmafrequency_y": 4.2754444034766514, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.10949509460641699, "hform": -0.173040072185362}


unique_id: 4e53b78d57ba37b9fd7198ef86a972e5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoSe/Co2Se2-d69f7e092f3e", "uid": "2CoSe-4", "olduid": "Co2Se2-d69f7e092f3e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.8389752434264057, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.9752215535298614, "efermi": -4.863488088086886, "minhessianeig": -0.2136803414819397, "dyn_stab": "No", "alphax_el": 120.37638627202186, "alphay_el": 120.90300386414644, "alphaz_el": 1.3234821898414832, "plasmafrequency_x": 9.376401125274128, "plasmafrequency_y": 9.413845643454442, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.3469860513121148, "dE_zy": -0.3456526772254165, "J": 23.74759111575031, "lam": 0.50428086632337, "A": 0.0, "spin": 0.5, "N_nn": 1, "ehull": 0.3634108184081494, "hform": 0.08087565161637045}


unique_id: f3f522e5fb3e0c26184a8d81ffa1027f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CoSe/Co2Se2-fea733671062", "uid": "2CoSe-1", "olduid": "Co2Se2-fea733671062", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.866265506839375, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5396913938190293, "efermi": -4.2075035844847015, "minhessianeig": -3.130330565388572e-11, "dyn_stab": "Yes", "alphax_el": 33.57890935182446, "alphay_el": 34.88396243269291, "alphaz_el": 18.53344737554988, "plasmafrequency_x": 6.333298855773825, "plasmafrequency_y": 6.360501786368703, "icsd_id": 162902, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.01632877075435263, "hform": -0.26620639603742635}


unique_id: 433cad6c337dcab9dfd42479acd94428
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BiBr/Bi2Br2-50f3e7ee5bef", "uid": "2BiBr-3", "olduid": "Bi2Br2-50f3e7ee5bef", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.8402663469962, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5468854725407213, "efermi": -6.199449289682876, "minhessianeig": -3.169352469605995, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3813426909998868, "hform": -0.1462916336515252}


unique_id: 5fb3e610eaac4c1c31a1b8dcd53806ee
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BiBr/Bi2Br2-a71d673909fb", "uid": "2BiBr-2", "olduid": "Bi2Br2-a71d673909fb", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.159364088678264, "label": "original03-18", "gap": 0.8674938479998344, "gap_dir": 0.911613156862821, "gap_dir_nosoc": 0.0, "evac": 2.7063636917814455, "efermi": -5.6205039002944, "vbm": -6.054250824294318, "cbm": -5.1867569762944825, "minhessianeig": -0.05662523762524097, "dyn_stab": "No", "gap_hse": 1.0412832375677143, "gap_dir_hse": 1.666956595288283, "efermi_hse": -5.520214464062715, "vbm_hse": -6.040856082846572, "cbm_hse": -4.999572845278857, "alphax_el": 7.970431110083349, "alphay_el": 7.666870045924666, "alphaz_el": 0.4364867366534095, "plasmafrequency_x": 0.04517980194705994, "plasmafrequency_y": 0.3500299912408402, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.18028695125781946, "hform": -0.34734737339359256}


unique_id: c556403fe362f063982cfbe161fd9a09
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BiBr/Bi2Br2-3458feccd9a3", "uid": "2BiBr-1", "olduid": "Bi2Br2-1f34ea039545", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.976147667452123, "label": "Lyngby22_LDP", "gap": 0.739798825239544, "gap_dir": 0.7636146944970308, "gap_dir_nosoc": 0.06354238665756862, "evac": 3.100663585537362, "efermi": -5.393396859424444, "vbm": -5.763296272044215, "cbm": -5.023497446804671, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.15746593543555065, "hform": -0.37016838921586137}


unique_id: 7e82fe4cedbfc961721039d6648490b2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrTa/Br2Ta2-6c91c0079061", "uid": "2BrTa-1", "olduid": "Br2Ta2-6c91c0079061", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.933959313814641, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.959352251186581, "efermi": -3.8255768836426096, "minhessianeig": -0.9358956121775327, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3139589416246712, "hform": -0.3411445492964651}


unique_id: 84a615dcad61a2bacbd07f0905bd1590
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrTa/Br2Ta2-8b33be6af852", "uid": "2BrTa-2", "olduid": "Br2Ta2-8b33be6af852", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.748250911593095, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.567223287031261, "efermi": -2.839246554083397, "minhessianeig": -2.976615998212473, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.9192891567471567, "hform": 0.26418566582602043}


unique_id: f8423a3f90a3dbb3c0e068c200f84a69
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Re4N8", "uid": "2NRe-1", "olduid": "N2Re2-083c18fce710", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 4.094561678603863, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.7539300878862467, "efermi": -5.419740743986095, "dyn_stab": "Unknown", "icsd_id": 187447, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.35678702417997066, "hform": 0.3147704667815301}


unique_id: 93f7246c77763d7710e9d9a6909fc2b7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/HSn/H2Sn2-2d3c4b88b3c3", "uid": "2HSn-1", "olduid": "H2Sn2-2d3c4b88b3c3", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.292932468594123, "label": "original03-18", "gap": 0.23630577341464232, "gap_dir": 0.23630577341464232, "gap_dir_nosoc": 0.47372876845885514, "evac": 1.9733986537290904, "efermi": -4.6600179155258274, "vbm": -4.778170802233149, "cbm": -4.541865028818506, "minhessianeig": -9.119943595051856e-15, "dyn_stab": "Yes", "gap_hse": 0.6848042591506873, "gap_dir_hse": 0.6848042591506873, "efermi_hse": -4.704338360155714, "vbm_hse": -5.051280745858286, "cbm_hse": -4.366476486707599, "gap_gw": 1.0427597920880034, "gap_dir_gw": 1.0427597920880034, "efermi_gw": -4.973162482688107, "vbm_gw": -5.494755052931223, "cbm_gw": -4.451995260843219, "E_B": 0.28818097252181113, "alphax_el": 7.293685866655401, "alphay_el": 7.293685866652054, "alphaz_el": 0.30104112605493405, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.17119145366178845, "hform": 0.17119145366178845}


unique_id: 51c33d97f41928cadfb29cbe5f11747d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FeSe/Fe2Se2-13ce8be7f1b2", "uid": "2FeSe-3", "olduid": "Fe2Se2-13ce8be7f1b2", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.3322421617632454, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7858172297303128, "efermi": -4.852389370870297, "minhessianeig": -1.2363043151965962, "dyn_stab": "No", "alphax_el": 46.30603952570855, "alphay_el": 46.94749859159589, "alphaz_el": 0.48891119874695127, "plasmafrequency_x": 5.333162661833263, "plasmafrequency_y": 5.338709787908491, "is_magnetic": true, "spin_axis": "x", "dE_zx": 1.5836248231266836, "dE_zy": 1.580168901284651, "ehull": 0.11462997475924741, "hform": -0.15539737556809907}


unique_id: 8d79c1301ab6382dd7cfb1c68a6689ec
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FeSe/Fe2Se2-2554d003ac74", "uid": "2FeSe-5", "olduid": "Fe2Se2-2554d003ac74", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.6880299969755015, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.947608918253362, "efermi": -4.682683139748756, "minhessianeig": -0.28524599880140794, "dyn_stab": "No", "alphax_el": 29.557847905958095, "alphay_el": 29.557847905958074, "alphaz_el": 0.6088590598940952, "plasmafrequency_x": 6.292437038510096, "plasmafrequency_y": 6.292437038510097, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.41736279359905737, "hform": 0.1473354432717109}


unique_id: 2261cc241069bab43feb37fb8e3defd7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FeSe/Fe2Se2-27b05fa87486", "uid": "2FeSe-4", "olduid": "Fe2Se2-27b05fa87486", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.766878534643647, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.981093265763199, "efermi": -4.7677443279526, "minhessianeig": -0.09712473075731554, "dyn_stab": "No", "alphax_el": 92.43678268846541, "alphay_el": 108.39710065284606, "alphaz_el": 0.7317992785372806, "plasmafrequency_x": 7.308421294096636, "plasmafrequency_y": 7.3121100383765505, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.3157310991923623, "dE_zy": -0.3157181177471102, "J": 18.256541661514802, "lam": 0.6649575005326369, "A": 0.0, "spin": 0.5, "N_nn": 1, "ehull": 0.3909951681742161, "hform": 0.12096781784686961}


unique_id: a9822e2ce82a16d9e586aa2cf8241f10
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FeSe/Fe2Se2-b3b26e5a47a2", "uid": "2FeSe-2", "olduid": "Fe2Se2-b3b26e5a47a2", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.6205878587899685, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.9573022251502143, "efermi": -4.816520681300107, "minhessianeig": -8.349545174097128e-15, "dyn_stab": "Yes", "alphax_el": 21.66072003604367, "alphay_el": 21.693001350407958, "alphaz_el": 0.6290333030783098, "plasmafrequency_x": 5.838908648244122, "plasmafrequency_y": 5.856707431640758, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.9881174808015203, "dE_zy": 0.9736276220735363, "J": 19.861857506951022, "lam": 0.01410333897587811, "A": -0.37600450240423317, "spin": 1.5, "N_nn": 3, "ehull": 0.06839730358205287, "hform": -0.2016300467452936}


unique_id: 4124483715986a11ea77048aacef75e2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Fe2Se2", "uid": "2FeSe-1", "olduid": "Fe2Se2-d648819188b2", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.7963768928920043, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.8758802000530652, "efermi": -4.378739227574077, "minhessianeig": -1.400798584707131e-12, "dyn_stab": "Yes", "alphax_el": 20.805574426703853, "alphay_el": 20.80557442670381, "alphaz_el": 0.4541631783370541, "plasmafrequency_x": 5.020533398203625, "plasmafrequency_y": 5.020533398203625, "cod_id": 4002154, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.00854751690344635, "hform": -0.26147983342390013}


unique_id: 4a424fbc737ace67d48c94b91c2aeb22
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Fe2Se2_1", "uid": "2FeSe-6", "olduid": "Fe2Se2-68f49d21740d", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.18121467742482267, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.1207065694543057, "efermi": -4.321070869836571, "dyn_stab": "Unknown", "icsd_id": 633480, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.9501002305967177, "dE_zy": 0.9501002305967177, "ehull": 0.6502849163896531, "hform": 0.38025756606230665}


unique_id: 43330388d801b68189f4ef9f29f3efb8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/SSn/S4Sn4-47a8179e914e", "uid": "4SSn-1", "olduid": "S4Sn4-aedf8642b265", "international": "Pca2_1", "number": 29, "has_inversion_symmetry": false, "lgnum": 33, "layergroup": "pb2_1a", "bravais_type": "Rectangular (op)", "thickness": 2.8356175493323352, "label": "Lyngby22_LDP", "gap": 1.737077338774285, "gap_dir": 1.8664300833876493, "gap_dir_nosoc": 1.9017865190417989, "evac": 1.723413812924534, "efermi": -3.9953938348633136, "vbm": -4.863932504250456, "cbm": -3.126855165476171, "minhessianeig": -2.100647047759433e-15, "dyn_stab": "Yes", "gap_hse": 2.4262673045041216, "gap_dir_hse": 2.50544934426291, "efermi_hse": -4.116660303013065, "vbm_hse": -5.329793955265126, "cbm_hse": -2.903526650761004, "alphax_el": 4.37460180654305, "alphay_el": 4.835919660795416, "alphaz_el": 0.4012496572419922, "alphax_lat": 9.218086228357006, "alphax": 13.592688034900057, "alphay_lat": 17.65459886720858, "alphay": 22.490518528003996, "alphaz_lat": 0.025955305544185306, "alphaz": 0.4272049627861775, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.036588494874824795, "hform": -0.4209098487319425}


unique_id: 514666a58ec7fd5b3f1f6ce261903d05
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SiTe/Si2Te2-0864146ccb4e", "uid": "2SiTe-1", "olduid": "Si2Te2-0864146ccb4e", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 2.9136190748474267, "label": "original03-18", "gap": 0.38812028370822893, "gap_dir": 0.5180347020592064, "gap_dir_nosoc": 0.5350026777722772, "evac": 3.562718267672245, "efermi": -3.5818429141470056, "vbm": -3.7759030560011198, "cbm": -3.387782772292891, "minhessianeig": -0.26437468695096916, "dyn_stab": "No", "gap_hse": 0.5500558213742411, "gap_dir_hse": 0.5799315716490829, "efermi_hse": -3.4805986077906006, "vbm_hse": -3.7326979362994166, "cbm_hse": -3.1826421149251756, "gap_gw": 0.7718439762387611, "gap_dir_gw": 0.992216016386394, "efermi_gw": -3.817246416478968, "vbm_gw": -4.209773437472527, "cbm_gw": -3.437929461233766, "E_B": 0.4838308957795255, "alphax_el": 22.632420531596825, "alphay_el": 29.586076477665646, "alphaz_el": 0.423390164641332, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.28858820752873265, "hform": 0.25098345695080315}


unique_id: 77218ab2d9016e9362a2738641b6ebc1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SiTe/Si2Te2-a214b74d83d7", "uid": "2SiTe-2", "olduid": "Si2Te2-a214b74d83d7", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 4.618527782440651e-14, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.4703693659356185, "efermi": -4.475235413222412, "minhessianeig": -3.592613396665617, "dyn_stab": "No", "alphax_el": 4.4734200055912305, "alphay_el": 4.473420005591231, "alphaz_el": 0.2788548349880958, "plasmafrequency_x": 13.483064768207838, "plasmafrequency_y": 13.48306476820784, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6894893853623847, "hform": 0.6518846347844551}


unique_id: 33ab37df49dcad87357c7161f0639d34
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BaI/Ba2I2-c9f5818e4801", "uid": "2BaI-1", "olduid": "Ba2I2-c9f5818e4801", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.444143922684713, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.1260856493366274, "efermi": -2.429639455774625, "minhessianeig": -0.16248426545293046, "dyn_stab": "No", "alphax_el": 7.058588174471145, "alphay_el": 7.058588174471138, "alphaz_el": 0.4201069044090773, "plasmafrequency_x": 5.182120750083879, "plasmafrequency_y": 5.182120750083879, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.34569692338752245, "hform": -1.0319538047683237}


unique_id: b9abeaa25fb41a2f80c2299b7ad27c9b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Cu4Sr4", "uid": "2CuSr-1", "olduid": "Cu2Sr2-69c86d040523", "international": "P6/mmm", "number": 191, "has_inversion_symmetry": true, "lgnum": 80, "layergroup": "p6/mmm", "bravais_type": "Hexagonal (hp)", "thickness": 3.9729906587189188, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.7612328388975844, "efermi": -2.912857756752597, "minhessianeig": -9.855865620179489e-13, "dyn_stab": "Yes", "alphax_el": 31.018797729017393, "alphay_el": 31.169587550247254, "alphaz_el": 0.7183400358332946, "plasmafrequency_x": 10.19763235568105, "plasmafrequency_y": 10.242674753571617, "icsd_id": 629306, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.12919681081727763, "hform": 0.005205312897642589}


unique_id: 2633eae2694c8ea027ae8e389fa46806
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SV/S2V2-0faeeec6440a", "uid": "2SV-2", "olduid": "S2V2-0faeeec6440a", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.0123327640547846, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5050176159344817, "efermi": -5.226804969832219, "minhessianeig": 1.9667159099747318e-13, "dyn_stab": "No", "alphax_el": 28.035123343228893, "alphay_el": 28.20160724062345, "alphaz_el": 1.429433116385099, "plasmafrequency_x": 6.420642618814947, "plasmafrequency_y": 6.424358018270346, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.02338608692298294, "dE_zy": 0.02338516230793175, "J": 8.426407723277407, "lam": -0.0015881183230703755, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.2486882189090759, "hform": -0.7132445013423983}


unique_id: 9f81dba41367a4ed594766ddb99db72e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SV/S2V2-48ba4259c709", "uid": "2SV-5", "olduid": "S2V2-48ba4259c709", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.647052104306807, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.432668764301985, "efermi": -4.872900441876671, "minhessianeig": -0.5163898098596035, "dyn_stab": "No", "alphax_el": 143.07300103292158, "alphay_el": 143.96054373709302, "alphaz_el": 0.5350272880142372, "plasmafrequency_x": 3.3429193509000563, "plasmafrequency_y": 3.427417067721448, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5843389289591002, "hform": -0.3775937912923739}


unique_id: c1d0319925328f00f80be51bec37fa2a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SV/S2V2-49eafce1be2b", "uid": "2SV-1", "olduid": "S2V2-49eafce1be2b", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.2951513683504894, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7015066851693765, "efermi": -4.334806148632577, "minhessianeig": -4.141855914600418e-14, "dyn_stab": "Yes", "alphax_el": 13.495609670789198, "alphay_el": 13.534210288065582, "alphaz_el": 0.37598036201716817, "plasmafrequency_x": 4.707836435638608, "plasmafrequency_y": 4.7168220739100555, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.19392156755984014, "hform": -0.768011152691634}


unique_id: 1b9054f220cf48e124d01abde07a7d73
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SV/S2V2-605c732d5111", "uid": "2SV-4", "olduid": "S2V2-605c732d5111", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.183137185137573, "label": "original03-18", "gap": 0.21353359169884856, "gap_dir": 0.325956464592991, "gap_dir_nosoc": 0.3492645293538482, "evac": 4.097805751855583, "efermi": -5.0363749980521995, "vbm": -5.1431417939016235, "cbm": -4.929608202202775, "minhessianeig": -0.8720742601735156, "dyn_stab": "No", "gap_hse": 0.6417681651128815, "gap_dir_hse": 0.667157601635464, "efermi_hse": -4.580130229131163, "vbm_hse": -4.820330831868418, "cbm_hse": -4.1785626667555364, "gap_gw": 0.36601747340687923, "gap_dir_gw": 0.36601747340687923, "efermi_gw": -4.505505898279862, "vbm_gw": -4.621849687128078, "cbm_gw": -4.255832213721199, "E_B": 0.3930394459885652, "alphax_el": 24.183853153687974, "alphay_el": 24.183853153687966, "alphaz_el": 0.43622226029260547, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.5339029268719241, "hform": -0.42802979337955005}


unique_id: 321651ea9ffc06c6d0a8e18a8fd826ba
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SV/S2V2-e957b397f401", "uid": "2SV-3", "olduid": "S2V2-e957b397f401", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.2582135086969064, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.791346009674995, "efermi": -5.299982482815795, "minhessianeig": -2.2919564143379465, "dyn_stab": "No", "alphax_el": 10.041359005950627, "alphay_el": 10.085837376778905, "alphaz_el": 0.5136958204604924, "plasmafrequency_x": 8.814844285838044, "plasmafrequency_y": 8.820600410711672, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3717441969959513, "hform": -0.5901885232555228}


unique_id: 2cdaa7c62ef7f2978e08af3eb4d8f8f1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/OsS/OsS-6f933998904f", "uid": "1OsS-1", "olduid": "OsS-efb8a79319b3", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.4854633407607771, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 1.0828090854489174, "hform": 0.7974347668921906}


unique_id: b0265fbfbca9e9dd66cf4284e5647c8e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OZr/O2Zr2-07b2083c5881", "uid": "2OZr-3", "olduid": "O2Zr2-07b2083c5881", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 1.8209285017647208, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.603874498583438, "efermi": -3.9346269966989667, "minhessianeig": -0.26832797336246594, "dyn_stab": "No", "alphax_el": 22.53271741825945, "alphay_el": 11.739199304127336, "alphaz_el": 0.2842116417044782, "plasmafrequency_x": 4.8553932406687785, "plasmafrequency_y": 6.193159476481275, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.1781983845603463, "dE_zy": 0.11883812248925096, "ehull": 0.7270984950775197, "hform": -1.9547054482592747}


unique_id: 5b4f8808b797dc2225c4c8804095ba2c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OZr/O2Zr2-13ecd0da4a2d", "uid": "2OZr-1", "olduid": "O2Zr2-13ecd0da4a2d", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.3622052281574115, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.058220779879486, "efermi": -3.163879373264318, "minhessianeig": -1.8299600982168898, "dyn_stab": "No", "alphax_el": 11.065626587358402, "alphay_el": 11.06562658735841, "alphaz_el": 0.5637317940514242, "plasmafrequency_x": 6.76517111684839, "plasmafrequency_y": 6.765171116848392, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.45029483892717925, "hform": -2.231509104409615}


unique_id: a83cba2ca70f82414bbccbbf90291b88
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OZr/O2Zr2-afc70c664605", "uid": "2OZr-4", "olduid": "O2Zr2-afc70c664605", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.2607550072068072, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.765843157027601, "efermi": -3.8691172979147934, "minhessianeig": -5.741820872627221, "dyn_stab": "No", "alphax_el": 9.935178105837613, "alphay_el": 9.869680414420865, "alphaz_el": 0.33392955369607347, "plasmafrequency_x": 8.56887970996452, "plasmafrequency_y": 8.745817040067331, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.8739462120166688, "hform": -1.8078577313201256}


unique_id: 6ac8d112e01136020b30dc1c85655b3c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/OZr/O2Zr2-2dd73c23afed", "uid": "2OZr-2", "olduid": "O2Zr2-40137f0e77e8", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.6884101142654426, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.6327898338825455, "hform": -2.049014109454249}


unique_id: 4d164a46124db6bac597b45904d3b06f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrZn/Br2Zn2-ed01a64ff592", "uid": "2BrZn-3", "olduid": "Br2Zn2-ed01a64ff592", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.23800602918388, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.16096187029509, "efermi": -5.606413451229714, "minhessianeig": -3.760713165605601, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6337162629793593, "hform": -0.05908238407508071}


unique_id: b9e6cf4beb043e1aa1c5f30bc610c07b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrZn/Br2Zn2-fd6e16689b77", "uid": "2BrZn-2", "olduid": "Br2Zn2-fd6e16689b77", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.247040345801126, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.936847630559682, "efermi": -5.369728278352675, "minhessianeig": -1.9962534788616013, "dyn_stab": "No", "alphax_el": 18.345892634366134, "alphay_el": 18.719098564020413, "alphaz_el": 0.5346262657535871, "plasmafrequency_x": 3.512678225591633, "plasmafrequency_y": 3.586011316967896, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.34831900801084204, "hform": -0.344479639043598}


unique_id: a0342843f9cbb37739a2e9e164a26168
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BrZn/Br2Zn2-1f7395a44b15", "uid": "2BrZn-1", "olduid": "Br2Zn2-9dc6c43e2ca6", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.146939886435724, "label": "Lyngby22_LDP", "gap": 2.3717724951912045, "gap_dir": 2.661774661367707, "gap_dir_nosoc": 2.696591862658442, "evac": 3.462414949677884, "efermi": -4.957083432810398, "vbm": -6.142969680406001, "cbm": -3.7711971852147963, "minhessianeig": -1.211166207456158e-15, "dyn_stab": "Yes", "gap_hse": 3.2336547727754317, "gap_dir_hse": 3.5854761898351817, "efermi_hse": -5.104636113450536, "vbm_hse": -6.7214634998382525, "cbm_hse": -3.4878087270628204, "alphax_el": 2.2997881781204836, "alphay_el": 2.3014161813522, "alphaz_el": 0.5097075328856058, "alphax_lat": 4.4839397869515025, "alphax": 6.783727965071986, "alphay_lat": 4.449226529572922, "alphay": 6.750642710925122, "alphaz_lat": 0.06824195956572336, "alphaz": 0.5779494924513291, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09041149519888014, "hform": -0.6023871518555599}


unique_id: a765c872db22c3a7926a72f788bd806a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CdS/Cd2S2-d9ca01c61c76", "uid": "2CdS-1", "olduid": "Cd2S2-d9ca01c61c76", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.237408403847354, "label": "original03-18", "gap": 1.785819903757046, "gap_dir": 1.785819903757046, "gap_dir_nosoc": 1.7946897806385422, "evac": 3.085295521115939, "efermi": -5.224477716738752, "vbm": -6.117387668617274, "cbm": -4.331567764860229, "minhessianeig": 4.1647271908201084e-16, "dyn_stab": "Yes", "gap_hse": 2.6959230246938475, "gap_dir_hse": 2.6959230246938475, "efermi_hse": -5.442837728584974, "vbm_hse": -6.790799240931897, "cbm_hse": -4.09487621623805, "alphax_el": 2.6949664295189413, "alphay_el": 2.683064300400672, "alphaz_el": 0.38734719945913015, "alphax_lat": 1.8060594425304974, "alphax": 4.501025872049439, "alphay_lat": 1.804401319888223, "alphay": 4.487465620288894, "alphaz_lat": 0.11170506887297825, "alphaz": 0.4990522683321084, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.13404780981308928, "hform": -0.5323871871921289}


unique_id: 40dac1d5b914dcbf92274d99289cc57f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CdS/Cd2S2-d7f9557e8b3a", "uid": "2CdS-2", "olduid": "Cd2S2-d7f9557e8b3a", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 6.199503133075268e-08, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.216844685545943, "efermi": -4.822090407609626, "minhessianeig": -14.61674710991767, "dyn_stab": "No", "gap_hse": 0.10175826543748068, "gap_dir_hse": 1.5384453698793426, "efermi_hse": -5.017764743183053, "vbm_hse": -5.092075573988143, "cbm_hse": -4.990317308550662, "alphax_el": 1.9683255395456634, "alphay_el": 1.9683255395456654, "alphaz_el": 0.20483228807531825, "plasmafrequency_x": 4.833436501348313, "plasmafrequency_y": 4.833436501348313, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.42503845832292075, "hform": -0.24139653868229738}


unique_id: f8f0dc93244b577e34815c30dcea0cad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GeSe/GeSe-211bcb7f05d6", "uid": "1GeSe-1", "olduid": "GeSe-211bcb7f05d6", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.4473597337136095, "label": "original03-18", "gap": 2.2175112051577077, "gap_dir": 2.4232433974292844, "gap_dir_nosoc": 2.5514921959859294, "evac": 2.6271581982992607, "efermi": -4.651636188694805, "vbm": -5.760391791273659, "cbm": -3.5428805861159516, "minhessianeig": -4.80633411928062e-15, "dyn_stab": "Yes", "gap_hse": 2.9145192404726146, "gap_dir_hse": 3.1454774297719807, "efermi_hse": -4.897925764637797, "vbm_hse": -6.222464666525756, "cbm_hse": -3.307945426053141, "gap_gw": 3.7198919865320663, "gap_dir_gw": 4.035696084181859, "efermi_gw": -4.959747131934254, "vbm_gw": -6.819693125200287, "cbm_gw": -3.099801138668221, "alphax_el": 3.030437259059756, "alphay_el": 3.0304372590597572, "alphaz_el": 0.2976710738700949, "alphax_lat": 1.1571457648771128, "alphax": 4.1875830239368685, "alphay_lat": 1.1429309692775433, "alphay": 4.173368228337301, "alphaz_lat": 0.0034519981525746053, "alphaz": 0.3011230720226695, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0398665982389943, "hform": -0.19021310313115247}


unique_id: f202bbdf2623c8e8941650aa56a8a12d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Li4B4", "uid": "2BLi-1", "olduid": "B2Li2-a4e8bc74cfee", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 40, "layergroup": "pmam", "bravais_type": "Rectangular (op)", "thickness": 0.0, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 0.8184256051249708, "efermi": -4.2399664788219145, "dyn_stab": "Unknown", "icsd_id": 236961, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.014436918542539, "hform": 0.8541749070882987}


unique_id: da89fed7aa14adfd981b93b32abb0b26
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeZn/Te2Zn2-4e0f8a77aaf0", "uid": "2TeZn-1", "olduid": "Te2Zn2-4e0f8a77aaf0", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.759747366147356, "label": "original03-18", "gap": 0.5445857993032709, "gap_dir": 0.5445857993032709, "gap_dir_nosoc": 0.8679726385158183, "evac": 3.3606899511694843, "efermi": -4.516010942871949, "vbm": -4.788303842523585, "cbm": -4.243718043220314, "minhessianeig": -1.9466322960794112e-15, "dyn_stab": "Yes", "gap_hse": 1.2938448405431962, "gap_dir_hse": 1.2938448405431962, "efermi_hse": -4.604956829210185, "vbm_hse": -5.251879249481783, "cbm_hse": -3.9580344089385866, "alphax_el": 4.456869207937927, "alphay_el": 4.420474823128176, "alphaz_el": 0.4687150816696784, "alphax_lat": 2.0574607465929198, "alphax": 6.514329954530846, "alphay_lat": 2.059649985706271, "alphay": 6.4801248088344465, "alphaz_lat": 0.025891821898243843, "alphaz": 0.49460690356792225, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.09373334812987794, "hform": -0.3784983714810912}


unique_id: c52ed430813b6d850cef93aa96067cb3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeZn/Te2Zn2-8456b714e245", "uid": "2TeZn-3", "olduid": "Te2Zn2-8456b714e245", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 1.7259999447460928e-06, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.3368273797084727, "efermi": -5.142394630791138, "minhessianeig": -6.778502158631207, "dyn_stab": "No", "alphax_el": 2.9537477971361956, "alphay_el": 2.953747797136194, "alphaz_el": 0.23063511310946927, "plasmafrequency_x": 9.63726615329739, "plasmafrequency_y": 9.63726615329739, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4986686316370113, "hform": 0.026436912026042148}


unique_id: 3a583542b23438c50d879b641d2640aa
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/TeZn/Te2Zn2-7a1680446420", "uid": "2TeZn-2", "olduid": "Te2Zn2-0d9475b799c9", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.3567291986261303, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.12438993399243242, "hform": -0.34784178561853674}


unique_id: 4bf888c7802b793426532301828b1bae
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrSr/Br2Sr2-74061bb3ffe4", "uid": "2BrSr-2", "olduid": "Br2Sr2-74061bb3ffe4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.9993175431824, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.7496919381859988, "efermi": -2.557302499792903, "minhessianeig": -0.12578103161400267, "dyn_stab": "No", "alphax_el": 1.8015811837138809, "alphay_el": 1.8015811837138815, "alphaz_el": 0.4089754346842418, "plasmafrequency_x": 6.154935790334158, "plasmafrequency_y": 6.154935790334159, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5082599420615925, "hform": -1.1212670258903374}


unique_id: b3ae8414926cbe82cd3e43e1fe02f3c6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/BrSr/Br2Sr2-24553a702aee", "uid": "2BrSr-1", "olduid": "Br2Sr2-10b48d6f43df", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.786508600125929, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.11283834639223755, "hform": -1.5166886215596924}


unique_id: 4f6e5b71f90ba3879c5e4e5e0cb03d92
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GeS/Ge2S2-ecbb7c185669", "uid": "2GeS-1", "olduid": "Ge2S2-ecbb7c185669", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 2.563643507963084, "label": "original03-18", "gap": 1.7137806305009027, "gap_dir": 1.8776844478634713, "gap_dir_nosoc": 1.8828832241323463, "evac": 3.106553200420141, "efermi": -4.234496320144407, "vbm": -5.0913866353948585, "cbm": -3.3776060048939556, "minhessianeig": -1.937320873014907e-13, "dyn_stab": "Yes", "gap_hse": 2.3721251930701546, "gap_dir_hse": 2.60653855461745, "efermi_hse": -4.31952307701317, "vbm_hse": -5.5055856733088735, "cbm_hse": -3.1334604802387194, "gap_gw": 3.0302791852589452, "gap_dir_gw": 3.3223745612573916, "efermi_gw": -4.549462988445124, "vbm_gw": -6.064602581074597, "cbm_gw": -3.034323395815651, "E_B": 0.9436144488339844, "alphax_el": 3.782199787002352, "alphay_el": 3.7495519050031705, "alphaz_el": 0.3651068469359676, "alphax_lat": 2.659931867742748, "alphax": 6.442131654745101, "alphay_lat": 4.302594915537337, "alphay": 8.052146820540507, "alphaz_lat": 0.024988463201113125, "alphaz": 0.39009531013708076, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 2107064, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 489.7615815765543, "ehull": 0.03086125998168132, "hform": -0.24642142247277476}


unique_id: d094fe08ce038ae48aedd4b4b0ecbfdd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GeS/Ge2S2-28faaa3699d4", "uid": "2GeS-4", "olduid": "Ge2S2-28faaa3699d4", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 8.402167850363185e-13, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.1435065706458927, "efermi": -4.218924252912709, "minhessianeig": -7.718143174402943, "dyn_stab": "No", "gap_hse": 0.06145342736821724, "gap_dir_hse": 0.06580897255965401, "efermi_hse": -4.071298435273883, "vbm_hse": -4.0850150119764335, "cbm_hse": -4.023561584608217, "alphax_el": 6.283352607241798, "alphay_el": 6.283352607241799, "alphaz_el": 0.22192195221536787, "plasmafrequency_x": 2.8246152025209375, "plasmafrequency_y": 2.8246152025209375, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4535229698156984, "hform": 0.1762402873612423}


unique_id: bc2343b8d287a3cc17788e08768fcbfc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/adhoc_materials/Ge2S2", "uid": "2GeS-2", "olduid": "Ge2S2-39b7591bd3cb", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 1.845103158568289, "label": "adhoc_material", "gap": 1.7634126784880375, "gap_dir": 1.9516565659857055, "gap_dir_nosoc": 1.9569993114941593, "evac": 2.4892321962862667, "efermi": -4.397198767614319, "vbm": -5.278905106858338, "cbm": -3.5154924283703006, "minhessianeig": -7.210056895973762e-14, "dyn_stab": "Yes", "gap_hse": 2.488510096238403, "gap_dir_hse": 2.700898696266302, "efermi_hse": -4.51927892303267, "vbm_hse": -5.763533971151871, "cbm_hse": -3.275023874913469, "alphax_el": 3.7387664942866947, "alphay_el": 2.424686040744486, "alphaz_el": 0.30477611161333784, "alphax_lat": 9.00015292467082, "alphax": 12.738919418957515, "alphay_lat": 1.9395085086933035, "alphay": 4.364194549437789, "alphaz_lat": 0.014773302886079144, "alphaz": 0.319549414499417, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 200.66702327680653, "ehull": 0.04697922648091968, "hform": -0.2303034559735364}


unique_id: c5e634e213d7bddc520af694a1fe27ed
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GeS/Ge2S2-43ba6e5cbdb0", "uid": "2GeS-3", "olduid": "Ge2S2-985d4b44e0b1", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.042834801063549, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.21128659300636254, "hform": -0.06599608944809354}


unique_id: 37491aa54475b2c6076fab1aae2a41ca
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClPb/Cl2Pb2-1cde7e603713", "uid": "2ClPb-2", "olduid": "Cl2Pb2-1cde7e603713", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.357615168504511, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.3144042525435657, "efermi": -6.382903937080727, "minhessianeig": -1.9679905826880149, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4355630987800394, "hform": -0.44780392034596606}


unique_id: e7fe03445855a127c3e1d6eb3b4243e4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClPb/Cl2Pb2-f05bafd14cfc", "uid": "2ClPb-1", "olduid": "Cl2Pb2-f05bafd14cfc", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.8318671611964845, "label": "original03-18", "gap": 0.4204918293483556, "gap_dir": 0.5085897362790143, "gap_dir_nosoc": 0.69978035174634, "evac": 4.234731505117058, "efermi": -5.285500873441998, "vbm": -5.4957467881161755, "cbm": -5.07525495876782, "minhessianeig": -0.6965890095207417, "dyn_stab": "No", "gap_hse": 0.5570880009270599, "gap_dir_hse": 0.7022154509287549, "efermi_hse": -5.220863810911606, "vbm_hse": -5.499407811375136, "cbm_hse": -4.942319810448076, "alphax_el": 14.332331547207541, "alphay_el": 14.406100836303388, "alphaz_el": 0.5466066244264689, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.3501127478239723, "hform": -0.5332542713020332}


unique_id: 416eca62b16df83c02522b31a56574a3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OSn/OSn-026ebfd86b48", "uid": "1OSn-1", "olduid": "OSn-026ebfd86b48", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.011393618618139, "label": "original03-18", "gap": 1.705504454829975, "gap_dir": 2.1044477922006948, "gap_dir_nosoc": 2.104580963070031, "evac": 2.6047363089656725, "efermi": -5.074626713666162, "vbm": -5.92737894108115, "cbm": -4.221874486251174, "minhessianeig": -4.72310929157567e-15, "dyn_stab": "Yes", "gap_hse": 2.2178571229664494, "gap_dir_hse": 2.7555531733992398, "efermi_hse": -5.281240848288239, "vbm_hse": -6.317672783744841, "cbm_hse": -4.099815660778392, "gap_gw": 3.2789964246475374, "gap_dir_gw": 3.715219585109318, "efermi_gw": -5.657656850993668, "vbm_gw": -6.969255420852213, "cbm_gw": -3.6902589962046757, "alphax_el": 2.2937415761730073, "alphay_el": 2.2937415761730082, "alphaz_el": 0.23413124577905203, "alphax_lat": 2.350448776802905, "alphax": 4.6441903529759125, "alphay_lat": 2.381686264834515, "alphay": 4.675427841007523, "alphaz_lat": 0.02549040411280128, "alphaz": 0.2596216498918533, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3287057901231609, "hform": -0.9746962232747558}


unique_id: e1cb5f166d80c5792039828c38c9fed6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeV/Se2V2-774adf863910", "uid": "2SeV-2", "olduid": "Se2V2-774adf863910", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.626747017409352, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.851158881737648, "efermi": -4.334412158060692, "minhessianeig": -1.1824139177472751e-14, "dyn_stab": "Yes", "alphax_el": 13.991707861365976, "alphay_el": 14.200858914461026, "alphaz_el": 0.42182328762568916, "plasmafrequency_x": 5.188274898284479, "plasmafrequency_y": 5.212533463000695, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.11354386880740819, "hform": -0.5244488699332637}


unique_id: c747a1850f9fd7622c93b56f51897137
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeV/Se2V2-9556122e471e", "uid": "2SeV-1", "olduid": "Se2V2-9556122e471e", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.4512937766442864, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.823599064535026, "efermi": -5.288016727689511, "minhessianeig": -3.5185767609020777, "dyn_stab": "No", "alphax_el": 11.347715968008853, "alphay_el": 11.461273552391996, "alphaz_el": 0.6198285203596653, "plasmafrequency_x": 6.389336913048894, "plasmafrequency_y": 6.41870371235344, "icsd_id": 162898, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.01912740617626696, "dE_zy": -0.01912693210215366, "J": 2.8930586511819456, "lam": -0.009843882480708999, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.09696066297060835, "hform": -0.5410320757700635}


unique_id: a69409434a97c132ed446f90c33350c1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeV/Se2V2-9cf30bd127fe", "uid": "2SeV-4", "olduid": "Se2V2-9cf30bd127fe", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.359472875691678, "label": "original03-18", "gap": 0.2567429353394053, "gap_dir": 0.37854109819147697, "gap_dir_nosoc": 0.4117628922644557, "evac": 4.095793373209222, "efermi": -4.924098540327675, "vbm": -5.052470007997377, "cbm": -4.795727072657972, "minhessianeig": -0.9195125202098653, "dyn_stab": "No", "gap_hse": 0.7880152919562426, "gap_dir_hse": 0.8601862040798174, "efermi_hse": -4.518861352813668, "vbm_hse": -4.84405466784869, "cbm_hse": -4.056039375892447, "gap_gw": 0.5724152071812876, "gap_dir_gw": 0.6174213518733203, "efermi_gw": -4.458498474689215, "vbm_gw": -4.687243334034035, "cbm_gw": -4.114828126852747, "E_B": 0.5097881747148162, "alphax_el": 21.02903685854511, "alphay_el": 21.029036858545105, "alphaz_el": 0.45792873078395135, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.4197104693285789, "hform": -0.21828226941209294}


unique_id: a80e330ea04f5904637dd0f0b4336d81
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeV/Se2V2-aa0cee83aefa", "uid": "2SeV-3", "olduid": "Se2V2-aa0cee83aefa", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.5666079975122704, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.9838722011660277, "efermi": -4.894489415074894, "minhessianeig": -2.949314450547917, "dyn_stab": "No", "alphax_el": 16.154194806388563, "alphay_el": 15.948922223748607, "alphaz_el": 0.7284101615153897, "plasmafrequency_x": 9.003043767474965, "plasmafrequency_y": 9.01116632522926, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.18439946978587862, "hform": -0.45359326895479324}


unique_id: f8f7e7c27eba8037c9d0c2d99944b450
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/SeV/Se2V2-f4fdf63e29f8", "uid": "2SeV-5", "olduid": "Se2V2-f4fdf63e29f8", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.579381371293516, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.2225232068577885, "efermi": -4.581766778164444, "minhessianeig": -1.4157508118506181, "dyn_stab": "No", "gap_hse": 0.26285021295659594, "gap_dir_hse": 0.35069732263748266, "efermi_hse": -4.078698464645823, "vbm_hse": -4.179594372685994, "cbm_hse": -3.9167441597293977, "alphax_el": 34.28445411367003, "alphay_el": 34.31327081253711, "alphaz_el": 0.48270798861025915, "plasmafrequency_x": 3.3104926997455593, "plasmafrequency_y": 3.3134912808548225, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.49377110773621524, "hform": -0.14422163100445662}


unique_id: c295c19f0761ab88e5b91ba42310f56c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AuO/Au2O2-c99b8d2aa925", "uid": "2AuO-1", "olduid": "Au2O2-c99b8d2aa925", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 1.4749991380910528, "label": "original03-18", "gap": 0.17352044770599528, "gap_dir": 0.4392226225695972, "gap_dir_nosoc": 0.5175024539585014, "evac": 2.136777882362952, "efermi": -5.315216868830335, "vbm": -5.401977092683333, "cbm": -5.228456644977337, "minhessianeig": -2.5786555757502896e-11, "dyn_stab": "Yes", "gap_hse": 0.8650500609296405, "gap_dir_hse": 1.3281249736437832, "efermi_hse": -5.497529955360887, "vbm_hse": -5.9100565695334595, "cbm_hse": -5.045006508603819, "gap_gw": 0.9700662021916888, "gap_dir_gw": 1.5814691319862701, "efermi_gw": -4.715250764515862, "vbm_gw": -5.200283865611707, "cbm_gw": -4.230217663420018, "E_B": 0.7601757563049365, "alphax_el": 5.409380763625109, "alphay_el": 2.924842046396164, "alphaz_el": 0.20436517065848517, "alphax_lat": 1.0352075904395277, "alphax": 6.444588354064637, "alphay_lat": 0.10766287562520176, "alphay": 3.032504922021366, "alphaz_lat": 0.003924884681430768, "alphaz": 0.20829005533991593, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.0070614897092185665, "hform": -0.009547872828964188}


unique_id: 6d73b27a9210af00e50ae96c32811fd4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AuO/Au2O2-20aad787dc25", "uid": "2AuO-2", "olduid": "Au2O2-20aad787dc25", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.486860465262559, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.228567081233153, "efermi": -5.914610745690608, "minhessianeig": -2.4481478977316673, "dyn_stab": "No", "alphax_el": 13.840298289684995, "alphay_el": 13.840298289684977, "alphaz_el": 0.528381521077364, "plasmafrequency_x": 9.182098511276367, "plasmafrequency_y": 9.182098511276369, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.50004429009308, "hform": 0.48343492755489725}


unique_id: 17ef819fbc38bfb4450e7f3d992a4433
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/SnTe/Sn6Te6-33ecaf772e78", "uid": "6SnTe-1", "olduid": "Sn6Te6-114cf1970dd4", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 6.277424913595909, "label": "Wang23", "gap": 0.46801144939357275, "gap_dir": 0.4733732243824262, "gap_dir_nosoc": 0.6093819381580562, "evac": 4.442191756382419, "efermi": -4.084780804857057, "vbm": -4.318786529553844, "cbm": -3.8507750801602705, "minhessianeig": -0.25399896417293877, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07081649725018258, "hform": -0.207478436328298}


unique_id: c6d1b315a6fecb8a374b58b04b7c133f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/push-manti-tree/AB/1/Hg4Se4-AB-1-a", "uid": "4HgSe-1", "olduid": "Hg4Se4-a442456121d7", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 5.317295668938062, "label": "Manti22_pushed", "gap": 0.36562526184133715, "gap_dir": 0.36562526184133715, "gap_dir_nosoc": 0.3947267309391598, "evac": 3.462698401964319, "efermi": -4.968788777647116, "vbm": -5.151601408567784, "cbm": -4.785976146726448, "minhessianeig": -5.433701964768808e-16, "dyn_stab": "Yes", "gap_hse": 0.9369855214442866, "gap_dir_hse": 0.9369855214442866, "efermi_hse": -5.174805816306477, "vbm_hse": -5.64329857702862, "cbm_hse": -4.706313055584333, "alphax_el": 6.295611481446863, "alphay_el": 9.215593209720707, "alphaz_el": 0.5049577515647344, "alphax_lat": 5.54119995971349, "alphax": 11.836811441160354, "alphay_lat": 8.114896254114539, "alphay": 17.330489463835246, "alphaz_lat": 0.040710549887348506, "alphaz": 0.5456683014520829, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04048011398885265, "hform": -0.2050185773278792}


unique_id: 3e0da68cb6826c1964bac373b76addce
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgF/Ag8F8-1d9c4975a3b3", "uid": "8AgF-2", "olduid": "Ag8F8-5bd77a550112", "international": "Cmme", "number": 67, "has_inversion_symmetry": true, "lgnum": 48, "layergroup": "cmme", "bravais_type": "Centered rectangular (oc)", "thickness": 2.8198058890047335, "label": "Wang23", "gap": 0.32350545412504195, "gap_dir": 1.3231616408326037, "gap_dir_nosoc": 1.3589997129725138, "evac": 2.4848120987704414, "efermi": -5.189996637727405, "vbm": -5.351749364789926, "cbm": -5.028243910664884, "minhessianeig": -0.1581110920930944, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04435189418821217, "hform": -0.9701406717287231}


unique_id: 2b385819719af9da665ab3ad56405cdc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgF/Ag8F8-5100a22ce595", "uid": "8AgF-1", "olduid": "Ag8F8-2775efd87f90", "international": "P2_12_12", "number": 18, "has_inversion_symmetry": false, "lgnum": 21, "layergroup": "p2_12_12", "bravais_type": "Rectangular (op)", "thickness": 10.199970740509574, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.349270527126329, "efermi": -5.710393708515506, "minhessianeig": -0.23172541076106629, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.027795675398704756, "hform": -0.9866968905182305}


unique_id: 5057f4a38695fdf542a2378e67ede6d8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HPd/H2Pd2-df5b82ae54ed", "uid": "2HPd-1", "olduid": "H2Pd2-abf7e1f68fe2", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.9174149150414648, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7181035057263303, "efermi": -5.312352095689035, "minhessianeig": -2.7260778352282473e-15, "dyn_stab": "Yes", "alphax_el": 13.369965358722972, "alphay_el": 13.432442908826815, "alphaz_el": 0.4325969305423301, "plasmafrequency_x": 11.678586228769646, "plasmafrequency_y": 11.679086316039044, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05111421958183149, "hform": -0.029520045692764008}


unique_id: e62f2aa2f2c927ad903583512c33bdec
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BH/B2H2-55c0a559ded5", "uid": "2BH-1", "olduid": "B2H2-34d63065e802", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.4325440472219872, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.38375670515749805, "hform": 0.2833403015602931}


unique_id: 6dd26f742a134dae8db69fd6eacd8bbb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrCo/Br2Co2-a22c9a785c7d", "uid": "2BrCo-2", "olduid": "Br2Co2-a22c9a785c7d", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.237369214037928, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.1715395448318136, "efermi": -3.5651478782720933, "minhessianeig": -3.559675715037842, "dyn_stab": "No", "alphax_el": 19.260475954770328, "alphay_el": 19.260475954770328, "alphaz_el": 0.47336026547699794, "plasmafrequency_x": 2.563294858631131, "plasmafrequency_y": 2.563294858631132, "is_magnetic": true, "spin_axis": "x", "dE_zx": 2.506517363229932, "dE_zy": 2.506516509811263, "J": 82.2638619136633, "lam": -0.3921885529081237, "A": -0.6295092008770098, "spin": 1.0, "N_nn": 4, "ehull": 0.3657489459450328, "hform": 0.09523859669358714}


unique_id: c4112808ae91c5983a31a6bfb7c4876e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrCo/Br2Co2-83f0609e2ecd", "uid": "2BrCo-1", "olduid": "Br2Co2-83f0609e2ecd", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.006427157521871, "label": "original03-18", "gap": 0.06486958452570718, "gap_dir": 0.06543194319156442, "gap_dir_nosoc": 0.02955522945089084, "evac": 3.7709532333239597, "efermi": -4.255239451045073, "vbm": -4.287674243307926, "cbm": -4.222804658782219, "minhessianeig": -2.0455873860856492e-14, "dyn_stab": "Yes", "alphax_el": 155.58604554964765, "alphay_el": 138.38940967093166, "alphaz_el": 0.5583155082845159, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": true, "spin_axis": "z", "dE_zx": -2.405141293735369, "dE_zy": -2.4118077898265255, "J": 128.64861190203194, "lam": -0.08397576531156876, "A": 2.6626302840071503, "spin": 1.0, "N_nn": 3, "topology": "Trivial", "ehull": 0.29689063416020856, "hform": 0.026380284908762874}


unique_id: 6394eeb4fbf9f255f3220b39f7d27b5f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AuBr/AuBr-afff902e491f", "uid": "1AuBr-1", "olduid": "AuBr-6944f3353d09", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 0.0, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.23631430863919525, "hform": 0.07683939846049403}


unique_id: bb6af33ac517ac8bc17b629a6f9ecff2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/OSi/O2Si2-697cdf35d834", "uid": "2OSi-1", "olduid": "O2Si2-c8358c0fe261", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 2.1013666598626575, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.7416370849947893, "hform": -1.3239942068181954}


unique_id: 105ee009253303d536d01ed0e23d57d0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GeS/GeS-227b12019ade", "uid": "1GeS-1", "olduid": "GeS-227b12019ade", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.3610326690029435, "label": "original03-18", "gap": 2.449635146788082, "gap_dir": 2.6699880342895885, "gap_dir_nosoc": 2.6937121227008602, "evac": 2.6626966575530053, "efermi": -4.941121279592614, "vbm": -6.165938852986654, "cbm": -3.716303706198573, "minhessianeig": -2.5242390219805323e-15, "dyn_stab": "Yes", "gap_hse": 3.230953137127927, "gap_dir_hse": 3.4922143346931867, "efermi_hse": -4.523872598573682, "vbm_hse": -6.677841356633905, "cbm_hse": -3.4468882195059782, "gap_gw": 4.183167490164307, "gap_dir_gw": 4.411609792555185, "efermi_gw": -5.288603014814135, "vbm_gw": -7.380186759896288, "cbm_gw": -3.1970192697319817, "alphax_el": 2.5888969729218916, "alphay_el": 2.5888969729218925, "alphaz_el": 0.2820929347150669, "alphax_lat": 1.4307335427519061, "alphax": 4.019630515673798, "alphay_lat": 1.432461366515479, "alphay": 4.021358339437372, "alphaz_lat": 0.005557298027605534, "alphaz": 0.28765023274267243, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05312900693416722, "hform": -0.22415367552028886}


unique_id: 115a4a711b0b2a0750edb30c623bf2a0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrMn/Br2Mn2-f4123ed7606a", "uid": "2BrMn-2", "olduid": "Br2Mn2-f4123ed7606a", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.831203444950722, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.1917138612701064, "efermi": -4.487251925288797, "minhessianeig": -6.1675486928538, "dyn_stab": "No", "alphax_el": 40.26674803387694, "alphay_el": 40.266748033876944, "alphaz_el": 0.4372267256445033, "plasmafrequency_x": 4.59609001942641, "plasmafrequency_y": 4.596090019426412, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.06227182416296273, "dE_zy": 0.06227174094419752, "J": -3.3019104155229684, "lam": 0.0012714008690295486, "A": -0.014870628149310505, "spin": 2.0, "N_nn": 4, "ehull": 0.6433947463358698, "hform": 0.056503678139937286}


unique_id: 3c58708c63601f7724e4051f6f99675f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BrMn/Br2Mn2-152c23a397c0", "uid": "2BrMn-1", "olduid": "Br2Mn2-23e823a1e79c", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.437534147314619, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5306989165012905, "hform": -0.05619215169464198}


unique_id: b6b993dcbf7678b5529e204faeb4bbd1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClLi/Cl3Li3-09633b153964", "uid": "3ClLi-1", "olduid": "Cl3Li3-262d5c0b1cab", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 5.355391452704228, "label": "Wang23", "gap": 5.818553638093951, "gap_dir": 5.9654392642332725, "gap_dir_nosoc": 6.0043394377328125, "evac": 3.0915349420264158, "efermi": -4.117938002300452, "vbm": -7.027214821347426, "cbm": -1.2086611832534764, "minhessianeig": -6.885065920672555e-14, "dyn_stab": "Yes", "gap_hse": 7.0242813841222755, "gap_dir_hse": 7.17204103989743, "efermi_hse": -4.498046468029488, "vbm_hse": -8.010187160090625, "cbm_hse": -0.9859057759683503, "alphax_el": 1.111723387274788, "alphay_el": 1.1118978888725086, "alphaz_el": 0.41430471517332834, "alphax_lat": 4.895286274606236, "alphax": 6.007009661881024, "alphay_lat": 4.863439481375065, "alphay": 5.975337370247574, "alphaz_lat": 0.37308775001775485, "alphaz": 0.7873924651910832, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02622738249884608, "hform": -1.8097161730138378}


unique_id: cdfac36201bb5f7d1f4d9d372f319d27
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/InN/InN-8cf70870bc5b", "uid": "1InN-1", "olduid": "InN-8cf70870bc5b", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 0.0, "label": "original03-18", "gap": 0.6155402894073063, "gap_dir": 0.6581343327411715, "gap_dir_nosoc": 0.665272614454143, "evac": 2.0772942007172315, "efermi": -4.560088807810839, "vbm": -4.867858952514492, "cbm": -4.252318663107186, "minhessianeig": -3.728544424332663e-14, "dyn_stab": "Yes", "gap_hse": 1.5650492301701968, "gap_dir_hse": 1.5650492301701968, "efermi_hse": -4.797160994090701, "vbm_hse": -5.6171186189267726, "cbm_hse": -4.052069388756577, "gap_gw": 1.9140172880411677, "gap_dir_gw": 1.9140172880411677, "efermi_gw": -4.86443534958167, "vbm_gw": -5.8553200001014165, "cbm_gw": -3.941302712060249, "E_B": 0.5165018188154276, "alphax_el": 3.8234063617281824, "alphay_el": 3.823406361728184, "alphaz_el": 0.2110926274627317, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.48229007117008393, "hform": 0.48229007117008393}


unique_id: d8f4868eeb740c1d636e9ecc28ee8f8f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgF/Ag3F3-3752bc0d2703", "uid": "3AgF-2", "olduid": "Ag3F3-2a342ef2bf3e", "international": "Pmmm", "number": 47, "has_inversion_symmetry": true, "lgnum": 37, "layergroup": "pmmm", "bravais_type": "Rectangular (op)", "thickness": 4.786937794777863, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.153058175047853, "efermi": -5.168902053584988, "minhessianeig": -0.4307537470677972, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.049388079645431716, "hform": -0.9651044862715036}


unique_id: 2756b85222d3966fbebe55bc4fbe4794
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgF/Ag3F3-ae2c6d5b1422", "uid": "3AgF-1", "olduid": "Ag3F3-923d087ca869", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 5.57351428646856, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6165848194973624, "efermi": -5.5911492106004275, "minhessianeig": -1.2277829687823976, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.01214076422085982, "hform": -1.0023518016960755}


unique_id: d8a179106b65e5d16d4385a4348cde1a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ORu/O2Ru2-09c7414ecfa8", "uid": "2ORu-2", "olduid": "O2Ru2-09c7414ecfa8", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.968662331843824, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.592922841249625, "efermi": -6.606913705047832, "minhessianeig": -0.442799795823637, "dyn_stab": "No", "alphax_el": 13.728018428944022, "alphay_el": 13.72801842894402, "alphaz_el": 0.49767836637479895, "plasmafrequency_x": 9.290167097685064, "plasmafrequency_y": 9.290167097685064, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.29972631769279534, "hform": -0.5168861383943018}


unique_id: 4ea057e685b4609c708df397965d9f3a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ORu/O2Ru2-5c1680549eb4", "uid": "2ORu-3", "olduid": "O2Ru2-5c1680549eb4", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 2.353836083990112, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.250912760293943, "efermi": -6.208970842094997, "minhessianeig": -12.28354302169749, "dyn_stab": "No", "alphax_el": 56.9754986341801, "alphay_el": 26.801547164596933, "alphaz_el": 0.6040060792339784, "plasmafrequency_x": 5.459883266342262, "plasmafrequency_y": 5.913538852688792, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5298345608824544, "hform": -0.2867778952046427}


unique_id: c98d6b6a1e32e7c6cbf8fb79e46b6301
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ORu/O2Ru2-5ec061fda218", "uid": "2ORu-4", "olduid": "O2Ru2-5ec061fda218", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.180197394051354, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.095915355600782, "efermi": -4.928160856224833, "minhessianeig": -9.957096494940386, "dyn_stab": "No", "alphax_el": 26.21652661993224, "alphay_el": 23.195162810760774, "alphaz_el": 0.338807736089091, "plasmafrequency_x": 7.443864028762915, "plasmafrequency_y": 7.496357462739074, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.9490039358922706, "hform": 0.13239147980517352}


unique_id: eff119f8ecc147fd814afd0c3273b82a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/ORu/O2Ru2-05809557f51f", "uid": "2ORu-1", "olduid": "O2Ru2-65d53d5c22fa", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.59359802139342, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.22045796622374514, "hform": -0.596154489863352}


unique_id: 307148c18f4c7d9174937c219f5c2954
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/FTl/F2Tl2-55854e863caf", "uid": "2FTl-2", "olduid": "F2Tl2-3dd6843c87a9", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.2562206726786886, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.15356453839396522, "hform": -1.6703157351963585}


unique_id: 1d87636341fb1fede9bf353773007a21
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FTl/F2Tl2-cdf9490d39a9", "uid": "2FTl-1", "olduid": "F2Tl2-e934abf0cf1f", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 2.8275838192857607, "label": "Wang23", "gap": 3.9632658098791094, "gap_dir": 4.029108958212214, "gap_dir_nosoc": 4.140735655511598, "evac": 2.1615327101501833, "efermi": -3.7848761424940376, "vbm": -5.766509047433592, "cbm": -1.8032432375544831, "minhessianeig": -4.803555833079206e-13, "dyn_stab": "Yes", "gap_hse": 4.992022051355151, "gap_dir_hse": 5.281028453360437, "efermi_hse": -4.101986506372906, "vbm_hse": -6.597997532050481, "cbm_hse": -1.6059754806953306, "alphax_el": 0.9232603306533564, "alphay_el": 0.8833333454442197, "alphaz_el": 0.3238278355166916, "alphax_lat": 3.7640332540572055, "alphax": 4.687293584710562, "alphay_lat": 4.1914758975329915, "alphay": 5.074809242977211, "alphaz_lat": 0.0956774161275214, "alphaz": 0.419505251644213, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -1.8238802735903237}


unique_id: 2fd11d213fc58a575a061006ee9e7b2c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/BeSe/Be4Se4-63876b534f71", "uid": "4BeSe-1", "olduid": "Be4Se4-62ace4205431", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.71149147925635, "label": "Wang23", "gap": 2.9054188291265026, "gap_dir": 2.9054188291265026, "gap_dir_nosoc": 3.0553824125406317, "evac": 3.0834857482607925, "efermi": -4.3071928301840945, "vbm": -5.759902244747346, "cbm": -2.8544834156208436, "minhessianeig": -3.720140337029841e-15, "dyn_stab": "Yes", "gap_hse": 3.7836904060288132, "gap_dir_hse": 3.7836904060288132, "efermi_hse": -4.3929247456828495, "vbm_hse": -6.284769948697257, "cbm_hse": -2.5010795426684433, "alphax_el": 1.8961645185263585, "alphay_el": 1.8946679124394545, "alphaz_el": 0.3417760069179421, "alphax_lat": 1.582633569526606, "alphax": 3.4787980880529643, "alphay_lat": 1.5872007061234303, "alphay": 3.481868618562885, "alphaz_lat": 0.00482192793337103, "alphaz": 0.3465979348513131, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09206571376949135, "hform": -0.7085168542813114}


unique_id: be160db20aade5fe422a6a4990d5a43a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OTl/O2Tl2-b4a3f5c5096f", "uid": "2OTl-4", "olduid": "O2Tl2-b4a3f5c5096f", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.195899448726891e-05, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.0941845200576736, "efermi": -3.9260217680307172, "minhessianeig": -9.894315972998113, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3286368036195231, "hform": -0.3457169062557246}


unique_id: ee37b553439d65f8d0f7eb240494f584
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OTl/O2Tl2-dc07e4d1b5e5", "uid": "2OTl-2", "olduid": "O2Tl2-dc07e4d1b5e5", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.557793767350695, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.9413199626337736, "efermi": -6.850166890457, "minhessianeig": -4.819239963667562e-15, "dyn_stab": "Yes", "alphax_el": 3.5563437357873466, "alphay_el": 3.5563437357873466, "alphaz_el": 0.4584818324788254, "plasmafrequency_x": 2.538114756614207, "plasmafrequency_y": 2.538114756614207, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.19529242948672532, "hform": -0.47906128038852236}


unique_id: 6ca12d7379b1986f8ba998b0d2482870
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/OTl/O2Tl2-b2805b5a1a43", "uid": "2OTl-1", "olduid": "O2Tl2-17fb3c3d37cf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.559271845200781, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.18781529096066296, "hform": -0.4865384189145847}


unique_id: 2078dd85cfd57b1ac345f7513c06dae8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/OTl/O2Tl2-c84af558539a", "uid": "2OTl-3", "olduid": "O2Tl2-7aa591142bef", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.667364140904896, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.24240733155910266, "hform": -0.431946378316145}


unique_id: 499ad068c2deba5b8c8335d361e253b4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HW/H2W2-b6c8bd54fff2", "uid": "2HW-1", "olduid": "H2W2-3e4dba1bef72", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.5433837049730394, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.26138521079657373, "hform": 0.26138521079657373}


unique_id: 52943f7fe501be12cf4ad2d396c8eaa4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReTe/Re2Te2-17d08a8706fe", "uid": "2ReTe-3", "olduid": "Re2Te2-17d08a8706fe", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 23, "layergroup": "pmm2", "bravais_type": "Rectangular (op)", "thickness": 4.835428525561557, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.117164985600877, "efermi": -4.153696245869348, "minhessianeig": -4.99884175733718, "dyn_stab": "No", "alphax_el": 228.70567959273552, "alphay_el": 44.81968861811365, "alphaz_el": 0.7447665741127572, "plasmafrequency_x": 9.212002338393072, "plasmafrequency_y": 9.280728487823469, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5269690762324775, "hform": 0.45782711046754443}


unique_id: d158446bddb67c860b77d85a36df832a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReTe/Re2Te2-4664fc96bfee", "uid": "2ReTe-1", "olduid": "Re2Te2-4664fc96bfee", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.376882480420381, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.85760635432376, "efermi": -3.972241336766829, "minhessianeig": -1.187585922695758, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.42347796524585846, "hform": 0.3543359994809254}


unique_id: 1c635df3da77808fdafac594bcacb84b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReTe/Re2Te2-5fbd01cd74db", "uid": "2ReTe-4", "olduid": "Re2Te2-5fbd01cd74db", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 6.4904302137248555, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.624803170387075, "efermi": -3.7646695908764305, "minhessianeig": -6.776109540306811, "dyn_stab": "No", "alphax_el": 27.115225723551053, "alphay_el": 27.115225723551042, "alphaz_el": 0.8098344167523892, "plasmafrequency_x": 13.52185797238827, "plasmafrequency_y": 13.521857972388274, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7836813078644873, "hform": 0.7145393420995543}


unique_id: 3b1794f0ec3175f248f7bb1a533c92d8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ReTe/Re2Te2-d4589432a3bf", "uid": "2ReTe-2", "olduid": "Re2Te2-d4589432a3bf", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.6115547714870733, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.216924502825154, "efermi": -3.443438750342027, "minhessianeig": -0.46955125959264726, "dyn_stab": "No", "alphax_el": 13.044095750620015, "alphay_el": 13.0369999394624, "alphaz_el": 0.4964042958416528, "plasmafrequency_x": 7.692616965599988, "plasmafrequency_y": 7.712563462531275, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5013493827867705, "hform": 0.4322074170218375}


unique_id: f106cf70e471b936fc4e44d7a8761000
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AlI/Al2I2-6b1750daca5d", "uid": "2AlI-1", "olduid": "Al2I2-0eebbcb92d04", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.6139195925154795, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.31228823087465357, "hform": -0.1426313180476928}


unique_id: 5fe0de79221dcd15bf896f592df54ead
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AlI/Al2I2-71e1bffed324", "uid": "2AlI-2", "olduid": "Al2I2-df31397f6d68", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.4226504324946063, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.6240957723946903, "hform": 0.16917622347234396}


unique_id: 209c440febde51d87da9b13a221ae658
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/PTe/P2Te2-40110fcef398", "uid": "2PTe-1", "olduid": "P2Te2-6700b4c99253", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.20351940418735, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.41337935204687737, "hform": 0.41337935204687737}


unique_id: a26d29f558b2817459fc435b557e4580
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/HgTe/Hg2Te2-bd638f8e00a9", "uid": "2HgTe-1", "olduid": "Hg2Te2-bd638f8e00a9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.071284959028483, "label": "original03-18", "gap": 0.08359904287430253, "gap_dir": 0.08359904287430253, "gap_dir_nosoc": 0.0, "evac": 3.4742963354506564, "efermi": -5.084104434422261, "vbm": -5.125903955859412, "cbm": -5.042304912985109, "minhessianeig": -0.6136495909970967, "dyn_stab": "No", "gap_hse": 0.12701605955122086, "gap_dir_hse": 0.14127830023546717, "efermi_hse": -5.3714588139525095, "vbm_hse": -5.4349668437281204, "cbm_hse": -5.307950784176899, "alphax_el": 10.961199815506532, "alphay_el": 10.411654169293568, "alphaz_el": 0.5017248973939351, "plasmafrequency_x": 1.3887454426987837, "plasmafrequency_y": 1.4261343244912645, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.10773098331884523, "hform": -0.09504296036727444}


unique_id: 71ba1e915600ce02945f1353440eebf1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/HgTe/Hg2Te2-e2842dbafac1", "uid": "2HgTe-2", "olduid": "Hg2Te2-e2842dbafac1", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.680957110423441, "label": "original03-18", "gap": 0.025646632349249687, "gap_dir": 0.025646632349249687, "gap_dir_nosoc": 0.13592679429007104, "evac": 3.3556642642437016, "efermi": -5.209362991159392, "vbm": -5.222186307334017, "cbm": -5.196539674984767, "minhessianeig": -0.41399789092737765, "dyn_stab": "No", "gap_hse": 0.28785265301558605, "gap_dir_hse": 0.28785265301558605, "efermi_hse": -5.367816424298432, "vbm_hse": -5.515988295739385, "cbm_hse": -5.228135642723799, "alphax_el": 29.627509354849927, "alphay_el": 28.468691118878432, "alphaz_el": 0.492269324488125, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.15821447859416538, "hform": -0.0445594650919543}


unique_id: 23dadd644388f1991ba5d7792db181c4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AuTe/Au2Te2-aafa8f843d5b", "uid": "2AuTe-3", "olduid": "Au2Te2-aafa8f843d5b", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.080853109897383, "label": "original03-18", "gap": 0.0370069087918401, "gap_dir": 0.07911502886945654, "gap_dir_nosoc": 0.0, "evac": 3.4211508951628415, "efermi": -4.083981252400685, "vbm": -4.102484706796606, "cbm": -4.065477798004765, "minhessianeig": -7.51806096406952e-15, "dyn_stab": "Yes", "gap_hse": 0.07836051975503344, "gap_dir_hse": 0.10339494972391117, "efermi_hse": -4.0959729704092105, "vbm_hse": -4.127140396318057, "cbm_hse": -4.048779876563024, "E_B": 0.2516156050364556, "alphax_el": 302.7464003085653, "alphay_el": 302.7464003085663, "alphaz_el": 0.45284529862121264, "alphax_lat": 948.0297347309962, "alphax": 1250.7761350395615, "alphay_lat": 295.6190137816548, "alphay": 598.3654140902211, "alphaz_lat": 0.004159045694853269, "alphaz": 0.4570043443160659, "plasmafrequency_x": 3.846892585120746, "plasmafrequency_y": 3.846892585120753, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1,C_M=1", "ehull": 0.13927843830788555, "hform": 0.03417921412996261}


unique_id: f7a0958fe1a6a007e232080541101284
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AuTe/Au2Te2-d57228736661", "uid": "2AuTe-1", "olduid": "Au2Te2-d57228736661", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 2.7915480500567913, "label": "original03-18", "gap": 0.6181338995312151, "gap_dir": 1.2533541627426563, "gap_dir_nosoc": 1.3620965433481809, "evac": 2.479695332941335, "efermi": -4.54769619324909, "vbm": -4.856763143014698, "cbm": -4.238629243483483, "minhessianeig": -1.5443678902963428e-12, "dyn_stab": "Yes", "gap_hse": 1.0669609292188222, "gap_dir_hse": 1.7422672957685938, "efermi_hse": -4.664269190415542, "vbm_hse": -5.169573266772481, "cbm_hse": -4.1026123375536585, "E_B": 0.8630387378514921, "alphax_el": 5.308762938413738, "alphay_el": 2.6952115967113928, "alphaz_el": 0.3447607228517134, "alphax_lat": 0.29204260022730116, "alphax": 5.600805538641039, "alphay_lat": 0.040829690518791664, "alphay": 2.7360412872301842, "alphaz_lat": 0.0051765471734194065, "alphaz": 0.3499372700251328, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -0.10509922417792295}


unique_id: 8e9cc2072c6786e0f5f0f5ecd80ea266
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AuTe/Au2Te2-18220d19d208", "uid": "2AuTe-4", "olduid": "Au2Te2-18220d19d208", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.223420630284348, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.104460504537961, "efermi": -4.736044184313619, "minhessianeig": -0.35374391321843696, "dyn_stab": "No", "alphax_el": 16.056442787427372, "alphay_el": 16.162881464747784, "alphaz_el": 0.583848468767081, "plasmafrequency_x": 8.433391980408116, "plasmafrequency_y": 8.446052275974866, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1520674667138997, "hform": 0.046968242535976756}


unique_id: aaea8e5525b689db8e97736081393152
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AuTe/Au2Te2-880b59e10ab3", "uid": "2AuTe-6", "olduid": "Au2Te2-880b59e10ab3", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.5381172068075415, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.747665899925707, "efermi": -5.411337053887184, "minhessianeig": -0.24504908953275215, "dyn_stab": "No", "alphax_el": 32.80130269463243, "alphay_el": 32.79166101363059, "alphaz_el": 0.5703482746143186, "plasmafrequency_x": 9.154215329416571, "plasmafrequency_y": 9.158395258926857, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.26420307449330904, "hform": 0.1591038503153861}


unique_id: c8ba577db8c911b30eed7f86363a9290
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AuTe/Au2Te2-d1f8006fb967", "uid": "2AuTe-2", "olduid": "Au2Te2-66ef704b7175", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 4.545720283484286, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11858530843203052, "hform": 0.013486084254107578}


unique_id: b9ea9c2f2b73509d951716570a522de1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AuTe/Au2Te2-d6a742e67ab9", "uid": "2AuTe-5", "olduid": "Au2Te2-b9f0e2e2fea0", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.7087426326737702, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2145386567754528, "hform": 0.10943943259752986}


unique_id: 62e6988cde6921e501b1902061fada3c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CF/C2F2-02ae369021e9", "uid": "2CF-1", "olduid": "C2F2-02ae369021e9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.2432179175849205, "label": "original03-18", "gap": 3.1651096992234122, "gap_dir": 3.1651096992234122, "gap_dir_nosoc": 3.1777609384750054, "evac": 3.5956965759599537, "efermi": -6.09950384811571, "vbm": -7.682058697727416, "cbm": -4.516948998504003, "minhessianeig": -2.7133995879645505e-14, "dyn_stab": "Yes", "gap_hse": 4.908943266382381, "gap_dir_hse": 4.908943266382381, "efermi_hse": -6.31186762842441, "vbm_hse": -8.766339258473877, "cbm_hse": -3.8573959920914955, "gap_gw": 7.1977921150003255, "gap_dir_gw": 7.1977921150003255, "efermi_gw": -6.406453054122208, "vbm_gw": -10.00534911162237, "cbm_gw": -2.8075569966220453, "E_B": 1.9402138479467148, "alphax_el": 0.941789114225705, "alphay_el": 0.9417891142245084, "alphaz_el": 0.2697287717082572, "alphax_lat": 0.15879862946272844, "alphax": 1.1005877436884335, "alphay_lat": 0.16327440793192224, "alphay": 1.1050635221564307, "alphaz_lat": 0.020289337897019477, "alphaz": 0.2900181096052767, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2849714004831607, "hform": -0.9122674719967279}


unique_id: ddb76bb6e5f6ed613fb5860fdfcc28ac
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AsBr/As2Br2-3d9408e7199b", "uid": "2AsBr-1", "olduid": "As2Br2-d6ec0a080a07", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.840582644105413, "label": "Lyngby22_LDP", "gap": 0.4606053767459608, "gap_dir": 0.46060537674596236, "gap_dir_nosoc": 0.4150479178333224, "evac": 2.779243926991356, "efermi": -4.454049502118731, "vbm": -4.684352190491711, "cbm": -4.22374681374575, "minhessianeig": -7.990989765922977e-15, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0797383006323531, "hform": -0.22921799875328253}


unique_id: 84a415fef6fa3b96d28c182ee001c35c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IMo/I2Mo2-2f01f90bf7f7", "uid": "2IMo-2", "olduid": "I2Mo2-2f01f90bf7f7", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.743230087397482, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.839922568582846, "efermi": -3.929004682053947, "minhessianeig": -25.740360286772056, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.9442625741293694, "hform": 0.63250326305306}


unique_id: 192ba8f8f5152e8b5b8c617de97e451f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IMo/I2Mo2-cc50c60b98a1", "uid": "2IMo-1", "olduid": "I2Mo2-cc50c60b98a1", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.834186051083288, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.9190240229582, "efermi": -3.998665641709468, "minhessianeig": -2.535239069186734, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6959396788995121, "hform": 0.38418036782320275}


unique_id: bbcb60b38591f125168fbcd9588c6b79
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ITl/I6Tl6-f2cf5e4276eb", "uid": "6ITl-2", "olduid": "I6Tl6-fb7a4fed44f3", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 4.761563485797184, "label": "Wang23", "gap": 2.1232237979388673, "gap_dir": 2.1503302587630033, "gap_dir_nosoc": 2.5932936279674896, "evac": 2.4978227065627863, "efermi": -4.251754592534715, "vbm": -5.313366491504148, "cbm": -3.190142693565281, "minhessianeig": -0.014999249043988978, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07852118306555915, "hform": -0.5985328150907204}


unique_id: 462aa46382f9ca72813329c95cf38bc2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ITl/I6Tl6-c3b5b9e6ef94", "uid": "6ITl-1", "olduid": "I6Tl6-6507b8f54bdb", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 7.027928091824846, "label": "Wang23", "gap": 1.9788343102020334, "gap_dir": 1.9788343102020334, "gap_dir_nosoc": 2.896964121183365, "evac": 2.9366527601386085, "efermi": -4.094666311435261, "vbm": -5.084083466536278, "cbm": -3.105249156334244, "minhessianeig": -0.000879516673852304, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06411149901685054, "hform": -0.6129424991394291}


unique_id: 734d83a3a496dfd0cebbc3b4f9a12b51
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MnSe/Mn2Se2-4e18fc666b1d", "uid": "2MnSe-2", "olduid": "Mn2Se2-4e18fc666b1d", "international": "Pmmm", "number": 47, "has_inversion_symmetry": true, "lgnum": 37, "layergroup": "pmmm", "bravais_type": "Rectangular (op)", "thickness": 3.356127345026093, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.7199584831089005, "efermi": -4.675092053303485, "minhessianeig": -1.4131345693316684, "dyn_stab": "No", "alphax_el": 18.51360198337882, "alphay_el": 9.200136327813988, "alphaz_el": 0.4274762907727725, "plasmafrequency_x": 3.762557658633151, "plasmafrequency_y": 6.705389263210028, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.06561292002515984, "dE_zy": -0.2777744609829824, "ehull": 0.08635061283142154, "hform": -0.2655957770138473}


unique_id: 62002b6f2589b331560248446ae77929
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Mn2Se2", "uid": "2MnSe-1", "olduid": "Mn2Se2-a1d595c25fc5", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.1389851025532156, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.9865511404625655, "efermi": -4.439916912368094, "minhessianeig": -1.0427067816938842e-12, "dyn_stab": "Yes", "alphax_el": 14.10309929484134, "alphay_el": 14.103099294841348, "alphaz_el": 0.40082021649752875, "plasmafrequency_x": 5.103817244611882, "plasmafrequency_y": 5.103817244611882, "icsd_id": 162900, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.662449432638823, "dE_zy": -0.6624494269544812, "J": -80.50178956273157, "lam": 0.16341281104814698, "A": 0.0, "spin": 0.5, "N_nn": 4, "halfmetal_gap": 0.0, "halfmetal_gap_dir": 0.0, "ehull": 0.038176312001160895, "hform": -0.31377007784410793}


unique_id: 3aa71646cb7638958342c57f50db16db
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/MnSe/Mn2Se2-bedbb202eaa2", "uid": "2MnSe-3", "olduid": "Mn2Se2-67c86cf01f97", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.4117344856986636, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11371448885932445, "hform": -0.23823190098594438}


unique_id: 127fda97b908335ae3ce3882d19b6648
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClCo/Cl2Co2-2d594b0b2095", "uid": "2ClCo-2", "olduid": "Cl2Co2-2d594b0b2095", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.9308751766983905, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.127414677489405, "efermi": -3.8139760723987814, "minhessianeig": -0.1621673304816006, "dyn_stab": "No", "alphax_el": 12.938744781206044, "alphay_el": 12.938744781206042, "alphaz_el": 0.40864979421414843, "plasmafrequency_x": 2.8302783405137797, "plasmafrequency_y": 2.8302783405137797, "is_magnetic": true, "spin_axis": "y", "dE_zx": 2.6077764924252733, "dE_zy": 2.607784350033171, "J": 91.67148126015334, "lam": 0.16850134423407326, "A": -3.336734721472112, "spin": 1.0, "N_nn": 4, "ehull": 0.41885370263411437, "hform": -0.04848889988876426}


unique_id: bd91f30a2dc5de087238e1eb9bc86d7c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/ClCo/Cl2Co2-6d9ab78c7c2d", "uid": "2ClCo-1", "olduid": "Cl2Co2-6d9ab78c7c2d", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.596882558909822, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.60625954113139, "efermi": -5.283506468799995, "minhessianeig": -2.80409114460571, "dyn_stab": "No", "alphax_el": 19.954468022212268, "alphay_el": 19.908176903345993, "alphaz_el": 0.5693061763871212, "plasmafrequency_x": 4.832755452042598, "plasmafrequency_y": 4.850817567560364, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.5812889475578231, "dE_zy": -0.5807782842168763, "J": 86.27090976101688, "lam": -0.3707308861654231, "A": 2.0340226374742088, "spin": 1.0, "N_nn": 3, "ehull": 0.3193781518367653, "hform": -0.1479644506861133}


unique_id: 9f461c5283714811fafe2197995cf868
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FTa/F2Ta2-3472bad93efb", "uid": "2FTa-1", "olduid": "F2Ta2-3472bad93efb", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 5.346693543552406, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.562555552844177, "efermi": -4.134706964327789, "minhessianeig": -0.10065333416606877, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1666166979597703, "hform": -1.8061897108560707}


unique_id: b8cf0fe8f94b5218b249eff4c3c19e5d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FTa/F2Ta2-c7a4889cc4d3", "uid": "2FTa-2", "olduid": "F2Ta2-c7a4889cc4d3", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.887931082611055, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.157133750583996, "efermi": -4.231816385076139, "minhessianeig": -4.623306120429688, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.4563065025051856, "hform": -0.5164999063106555}


unique_id: 1a8aea6573266fffd3050ab2209a5818
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/IIn/I6In6-5823c32eacd6", "uid": "6IIn-1", "olduid": "I6In6-2c8f6ac5bc98", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 6.295980815539423, "label": "Wang23", "gap": 1.4454486576382317, "gap_dir": 1.4454486576382317, "gap_dir_nosoc": 1.5461928504708817, "evac": 2.938887453251037, "efermi": -4.293261495571153, "vbm": -5.015985824390269, "cbm": -3.5705371667520374, "minhessianeig": -3.2454103295955324e-16, "dyn_stab": "Yes", "gap_hse": 1.9378617107273624, "gap_dir_hse": 1.9378617107273624, "efermi_hse": -4.3765167337047135, "vbm_hse": -5.345447589068395, "cbm_hse": -3.407585878341033, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0584835823100609, "hform": -0.42906554208376946}


unique_id: d1733c0f3b87025544fc0a976fc3293b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/PbTe/Pb6Te6-49a4be10bdb4", "uid": "6PbTe-1", "olduid": "Pb6Te6-935491deae35", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 6.479600374726073, "label": "Wang23", "gap": 0.27949307315450744, "gap_dir": 0.33142078402430475, "gap_dir_nosoc": 0.9435418757376197, "evac": 4.463026699645776, "efermi": -4.4340923162016574, "vbm": -4.573838852778911, "cbm": -4.294345779624404, "minhessianeig": -2.5651905394748115e-14, "dyn_stab": "Yes", "gap_hse": 0.5911401558768328, "gap_dir_hse": 0.5911401558768328, "efermi_hse": -4.497523339574277, "vbm_hse": -4.793093417512694, "cbm_hse": -4.201953261635861, "alphax_el": 20.096968958930123, "alphay_el": 16.89022089604664, "alphaz_el": 0.7262248516509598, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08005633052974186, "hform": -0.3410414031556031}


unique_id: 43f8aa3af60d7e7645f30bf985410572
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HN/H2N2-f7cf14ad25e6", "uid": "2HN-1", "olduid": "H2N2-6f7c5a1dc529", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.134602733371011, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 1.121367800395218, "hform": 0.8757961807740413}


unique_id: e8739b814ad8364b324a59fedad4dc24
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/OZn/O2Zn2-90053bb7b8e7", "uid": "2OZn-1", "olduid": "O2Zn2-548de573f351", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.4142680901720457, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.141940812976717, "hform": -1.3221993929692868}


unique_id: 62c8782d515f4bf643270c00bdc84b67
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PdSe/Pd2Se2-6fadb4af8d9e", "uid": "2PdSe-5", "olduid": "Pd2Se2-6fadb4af8d9e", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.797811129889195, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.999682551130343, "efermi": -5.182785597310439, "minhessianeig": -1.1175648496508377, "dyn_stab": "No", "alphax_el": 18.22022357963459, "alphay_el": 18.220223579634602, "alphaz_el": 0.5815354595004268, "plasmafrequency_x": 9.201655883905824, "plasmafrequency_y": 9.201655883905826, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4004363127638522, "hform": 0.053882312684115696}


unique_id: df27c8da5c1356dae7cab130e3e2a5fe
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PdSe/Pd2Se2-cdaa6be98138", "uid": "2PdSe-6", "olduid": "Pd2Se2-cdaa6be98138", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.788185859398631, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.980731335619446, "efermi": -5.191663993225519, "minhessianeig": -0.6494044425846547, "dyn_stab": "No", "alphax_el": 25.68202869316975, "alphay_el": 25.66390487719675, "alphaz_el": 0.5842496511942246, "plasmafrequency_x": 8.922522166658652, "plasmafrequency_y": 8.92814126953817, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4055088842011814, "hform": 0.058954884121444895}


unique_id: d55ad9832e1953ff16c42115ec2368cb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/PdSe/Pd2Se2-a3734aabd910", "uid": "2PdSe-3", "olduid": "Pd2Se2-a3734aabd910", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.4666435654709318, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6200230508450533, "efermi": -4.870755051345672, "minhessianeig": -4.4168052838995e-15, "dyn_stab": "Yes", "alphax_el": 12.542624397678551, "alphay_el": 12.537935711826476, "alphaz_el": 0.5000043469417501, "plasmafrequency_x": 9.023403446631695, "plasmafrequency_y": 9.067373727514385, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.18293716213733152, "hform": -0.163616837942405}


unique_id: 9e9cfb6a57aff06228f22ac7cbe02bef
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/PdSe/Pd2Se2-a31dd555f33d", "uid": "2PdSe-1", "olduid": "Pd2Se2-fbe846ca3e5e", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.1341002289246154, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11493480408297257, "hform": -0.23161919599676395}


unique_id: 31c5379ec228a993306e0c324e2004f4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/PdSe/Pd2Se2-f48789060672", "uid": "2PdSe-4", "olduid": "Pd2Se2-793b2393084f", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.532996150519822, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.23921612400155873, "hform": -0.1073378760781778}


unique_id: 6165228fcc20dfcf0fd141d91d8f7161
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/PdSe/Pd2Se2-5ca9d7b595a0", "uid": "2PdSe-2", "olduid": "Pd2Se2-23f11cc2cc56", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.6078189455120784, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.15037860370064587, "hform": -0.19617539637909065}


unique_id: f23f230a2d23a237562689c3c67a58af
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClIn/Cl3In3-84036bdcc819", "uid": "3ClIn-1", "olduid": "Cl3In3-61e3b3ae25a9", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.1923787560898056, "label": "Wang23", "gap": 2.9533366730996393, "gap_dir": 3.0217084885628376, "gap_dir_nosoc": 3.1566428916517637, "evac": 1.7521118745452007, "efermi": -3.79355760895412, "vbm": -5.270225945503939, "cbm": -2.3168892724042998, "minhessianeig": -0.09999310794773354, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.061666076112779265, "hform": -0.7803474375119258}


unique_id: 4abb6eeae22802f63e6f2bc8f448318a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClIn/Cl3In3-9b4849dc2667", "uid": "3ClIn-2", "olduid": "Cl3In3-fa45e8b4b6f1", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 4.348789858839202, "label": "Wang23", "gap": 1.9736456658699666, "gap_dir": 2.0471055823833484, "gap_dir_nosoc": 2.0609417872987206, "evac": 2.4110057851911915, "efermi": -4.3745885468555965, "vbm": -5.36141137979058, "cbm": -3.3877657139206128, "minhessianeig": -0.1871387369010853, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08746213261119025, "hform": -0.7545513810135148}


unique_id: 1a4b3e05ec110b4c5f05e553865d719d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FLi/F4Li4-412cac4e6f1c", "uid": "4FLi-1", "olduid": "F4Li4-eb27031c09d0", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.155970840759479, "label": "Wang23", "gap": 6.795881199347166, "gap_dir": 6.935468598974154, "gap_dir_nosoc": 6.955164098967892, "evac": 1.7390168767622105, "efermi": -4.229107716561886, "vbm": -7.627048316235469, "cbm": -0.8311671168883034, "minhessianeig": -2.1056948971771014e-14, "dyn_stab": "Yes", "gap_hse": 8.826324065442112, "gap_dir_hse": 8.967754843185958, "efermi_hse": -5.084328631526506, "vbm_hse": -9.497490664247563, "cbm_hse": -0.6711665988054498, "alphax_el": 0.3283990962019567, "alphay_el": 0.3285505440199237, "alphaz_el": 0.18313331011854622, "alphax_lat": 1.3523111942741173, "alphax": 1.680710290476074, "alphay_lat": 1.3683264663462953, "alphay": 1.696877010366219, "alphaz_lat": 0.22582891643472458, "alphaz": 0.4089622265532708, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05024719750405726, "hform": -2.976120146380763}


unique_id: 3efa96be0e8ab10746b4c9c8c536ad36
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/OTl/OTl-bb6d9a783639", "uid": "1OTl-1", "olduid": "OTl-4a902e4fd2b3", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 0.000174712021217438, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2857018163132119, "hform": -0.3886518935620358}


unique_id: c7013733b2645173ff0b3bb0b5252312
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BaCl/Ba2Cl2-0d91d7faf5e4", "uid": "2BaCl-1", "olduid": "Ba2Cl2-0d91d7faf5e4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.8359865447329344, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.0650439828045926, "efermi": -2.562315366253403, "minhessianeig": -0.31285361288224794, "dyn_stab": "No", "alphax_el": 2.289956674840409, "alphay_el": 2.289956674840409, "alphaz_el": 0.45768699552650005, "plasmafrequency_x": 6.242084906278484, "plasmafrequency_y": 6.242084906278484, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4452350173781139, "hform": -1.5130968861614176}


unique_id: dd2b0f58fb6622c20bfa578f014e426d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FSr/F2Sr2-9bad16276811", "uid": "2FSr-1", "olduid": "F2Sr2-9bad16276811", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 0.00420262473638644, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.0012981788570037, "efermi": -2.811546311550405, "minhessianeig": -0.9195542537856914, "dyn_stab": "No", "alphax_el": 0.47242865913681165, "alphay_el": 0.47242865913681176, "alphaz_el": 0.4235253840608207, "plasmafrequency_x": 6.782211669442986, "plasmafrequency_y": 6.782211669442987, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.6391670436355668, "hform": -2.3968676080781384}


unique_id: b9dac9f64ccca6ba992bf0ea45d8fdc9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrPb/Br2Pb2-f4606df31de7", "uid": "2BrPb-2", "olduid": "Br2Pb2-f4606df31de7", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.717112569868264, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.3956243387223344, "efermi": -6.162161709889915, "minhessianeig": -1.2969245383197294, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.37606726625198705, "hform": -0.34774034972894974}


unique_id: a8444eecd1391835e208a1f5a0230b12
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrPb/Br2Pb2-8636f6ce6483", "uid": "2BrPb-1", "olduid": "Br2Pb2-8636f6ce6483", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.059604155458366, "label": "original03-18", "gap": 0.43807447142517075, "gap_dir": 0.5082791018232263, "gap_dir_nosoc": 0.682329306655825, "evac": 4.234462071602769, "efermi": -5.020035849266403, "vbm": -5.239073084978989, "cbm": -4.800998613553817, "minhessianeig": -0.22903353119137182, "dyn_stab": "No", "gap_hse": 0.5817557078860385, "gap_dir_hse": 0.6889994121840507, "efermi_hse": -4.9392994795452845, "vbm_hse": -5.230177333488304, "cbm_hse": -4.648421625602265, "alphax_el": 15.347543291768288, "alphay_el": 15.394694395580004, "alphaz_el": 0.596669944816133, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.32888916252667366, "hform": -0.39491845345426313}


unique_id: a5a54664b68377aa37168a3734ff38d8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IrS/Ir2S2-bf9a5b4e8e88", "uid": "2IrS-1", "olduid": "Ir2S2-bf9a5b4e8e88", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.650293778020154, "label": "original03-18", "gap": 0.041237355802017706, "gap_dir": 0.47816747918763863, "gap_dir_nosoc": 0.0, "evac": 5.601853570648117, "efermi": -4.8169275255128525, "vbm": -4.837546203413861, "cbm": -4.796308847611844, "minhessianeig": -9.260709098386702e-15, "dyn_stab": "Yes", "gap_hse": 0.21850541170356308, "gap_dir_hse": 0.979920408830371, "efermi_hse": -5.08025953420425, "vbm_hse": -5.189512240056031, "cbm_hse": -4.9710068283524675, "alphax_el": 17.53486320139388, "alphay_el": 17.74457184441273, "alphaz_el": 0.5206819421447045, "alphax_lat": 1.5307850509379133, "alphax": 19.06564825233179, "alphay_lat": 1.529985425882083, "alphay": 19.27455727029481, "alphaz_lat": 0.0036467195717624586, "alphaz": 0.524328661716467, "plasmafrequency_x": 2.657077784148938, "plasmafrequency_y": 2.663955660971803, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.15811748282783622, "hform": -0.1939446716216251}


unique_id: dd203050c48d885feecd3d2b2b857673
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IrS/Ir2S2-1b14179662e3", "uid": "2IrS-5", "olduid": "Ir2S2-1b14179662e3", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.1641347546426415, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.176987329551606, "efermi": -4.606868244131757, "minhessianeig": -0.49496445569906555, "dyn_stab": "No", "alphax_el": 23.62261744173263, "alphay_el": 24.227495137880844, "alphaz_el": 0.588593509930567, "plasmafrequency_x": 5.4233168403279866, "plasmafrequency_y": 5.519533791082825, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.33672797372164265, "hform": -0.01533418072781867}


unique_id: d72c19d05d97dda8da946d8e88ed01cd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IrS/Ir2S2-7859421c8d78", "uid": "2IrS-4", "olduid": "Ir2S2-7859421c8d78", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 2.9498619772852654, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.855658491116929, "efermi": -4.887921502675964, "minhessianeig": -2.2483011242676086e-11, "dyn_stab": "Yes", "alphax_el": 16.21523358698489, "alphay_el": 17.67461415513078, "alphaz_el": 0.43822460898586596, "plasmafrequency_x": 5.383498806166649, "plasmafrequency_y": 6.455881844507084, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3207914568507091, "hform": -0.03127069759875223}


unique_id: 87626b8c895afffc4e49fc0d35eacb14
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IrS/Ir2S2-791eb47b266b", "uid": "2IrS-6", "olduid": "Ir2S2-791eb47b266b", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.7267691488074552, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6746584883802456, "efermi": -4.14186764348211, "minhessianeig": -1.1698989272730367, "dyn_stab": "No", "alphax_el": 6.48973440955525, "alphay_el": 6.500031681441779, "alphaz_el": 0.3846745918947638, "plasmafrequency_x": 7.807841355568114, "plasmafrequency_y": 7.822055726776441, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3739548915860951, "hform": 0.021892737136633755}


unique_id: a3168aaebb4ec99129e18004ec332381
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IrS/Ir2S2-dd6289af8e01", "uid": "2IrS-3", "olduid": "Ir2S2-dd6289af8e01", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 5.184614633851209, "label": "original03-18", "gap": 0.29690691595605534, "gap_dir": 0.29690691595605534, "gap_dir_nosoc": 0.1866772622944376, "evac": 5.368370136052787, "efermi": -4.762744288944556, "vbm": -4.911197746922583, "cbm": -4.614290830966528, "minhessianeig": -0.7242285511218334, "dyn_stab": "No", "gap_hse": 0.7127550601862147, "gap_dir_hse": 0.7832384002383137, "efermi_hse": -5.016582159333045, "vbm_hse": -5.411800194316499, "cbm_hse": -4.699045134130285, "gap_gw": 0.10810152882388446, "gap_dir_gw": 0.10810152882388446, "efermi_gw": -4.603804074813506, "vbm_gw": -4.658210997935876, "cbm_gw": -4.550109469111991, "E_B": 0.359488312925051, "alphax_el": 52.11347256210572, "alphay_el": 52.113472562105684, "alphaz_el": 0.5538489848481711, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.305248542309716, "hform": -0.04681361213974533}


unique_id: 2f50b582fc2e706cae44030fe8035fcf
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/IrS/Ir2S2-04163d30b7d0", "uid": "2IrS-7", "olduid": "Ir2S2-c9e50d4866c9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.104348146642894, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4314210047709919, "hform": 0.07935885032153056}


unique_id: f1f6398dcb24515cdae3958982a543d5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/IrS/Ir2S2-4856e356d09b", "uid": "2IrS-2", "olduid": "Ir2S2-593925aee90d", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.41679828369422, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.19151694644941486, "hform": -0.16054520800004646}


unique_id: dba214ec28e551063ebf1d5836eeb2c2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Ca8As8", "uid": "4AsCa-1", "olduid": "As4Ca4-bf7bbbdbefe0", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 2.214010308082486, "label": "exfoliated02-21", "gap": 0.9979292350435132, "gap_dir": 0.9979292350435132, "gap_dir_nosoc": 1.0045098699088917, "evac": 1.2579608956463568, "efermi": -2.7811559770859917, "vbm": -3.2801205946077485, "cbm": -2.2821913595642354, "minhessianeig": -1.31057491399321e-15, "dyn_stab": "Yes", "gap_hse": 1.5829835746979173, "gap_dir_hse": 1.585050237679065, "efermi_hse": -2.764753721311671, "vbm_hse": -3.5562455086606297, "cbm_hse": -1.9732619339627124, "alphax_el": 2.893428557859252, "alphay_el": 2.7302018840750653, "alphaz_el": 0.38111799973369737, "alphax_lat": 1.9702784343968465, "alphax": 4.863706992256098, "alphay_lat": 2.4442357664397387, "alphay": 5.174437650514804, "alphaz_lat": 0.061125322956522614, "alphaz": 0.44224332269022, "icsd_id": 22388, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.35030501021094795, "hform": -0.7433614716609935}


unique_id: 1a477ff3ddf683c6da42c12136026c0a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClCu/Cl4Cu4-e402c9a7b359", "uid": "4ClCu-2", "olduid": "Cl4Cu4-6c037377be4a", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 3.0557548571151, "label": "Wang23", "gap": 1.9133047659243152, "gap_dir": 1.9133047659243152, "gap_dir_nosoc": 1.9246476579903944, "evac": 2.832259928620665, "efermi": -4.660519717647627, "vbm": -5.6171721006097854, "cbm": -3.70386733468547, "minhessianeig": -0.3311476338530735, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06323208485782006, "hform": -0.3881561522603829}


unique_id: c9989e13cf26841c04e572e8e7357bda
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClCu/Cl4Cu4-218d5396e1ff", "uid": "4ClCu-1", "olduid": "Cl4Cu4-c4e10decfa4f", "international": "Pccm", "number": 49, "has_inversion_symmetry": true, "lgnum": 38, "layergroup": "pmaa", "bravais_type": "Rectangular (op)", "thickness": 3.3175617382978153, "label": "Wang23", "gap": 2.1393509470341368, "gap_dir": 2.39779539255281, "gap_dir_nosoc": 2.4198500161464263, "evac": 2.8165456368969233, "efermi": -4.682944301146069, "vbm": -5.7526197746631365, "cbm": -3.6132688276290006, "minhessianeig": -0.31833494468715795, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.019251895518523465, "hform": -0.4321363415996795}


unique_id: 5952f8002408b1628a3dadb6e7679e82
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClNa/Cl3Na3-69cdab5fd782", "uid": "3ClNa-1", "olduid": "Cl3Na3-48493cf6519d", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 5.834433368609933, "label": "Wang23", "gap": 5.021463065348007, "gap_dir": 5.021463065348007, "gap_dir_nosoc": 5.061557047972013, "evac": 2.5760153821969083, "efermi": -4.199220396775317, "vbm": -6.709951929449321, "cbm": -1.6884888641013138, "minhessianeig": -4.833859401100249e-15, "dyn_stab": "Yes", "gap_hse": 6.282805575094341, "gap_dir_hse": 6.282805575094341, "efermi_hse": -4.585920641282923, "vbm_hse": -7.727323428830093, "cbm_hse": -1.444517853735753, "alphax_el": 0.9284264899703956, "alphay_el": 0.9294076143300072, "alphaz_el": 0.40585902763726683, "alphax_lat": 2.4138965398543983, "alphax": 3.3423230298247937, "alphay_lat": 2.3558216675144603, "alphay": 3.2852292818444675, "alphaz_lat": 0.4302150582351679, "alphaz": 0.8360740858724347, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04129073309876722, "hform": -1.7967537786385481}


unique_id: 354e7d8b5726543ed77aa6106ccc081f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HTa/H2Ta2-dae48e1b2ad7", "uid": "2HTa-1", "olduid": "H2Ta2-d884d6199f46", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.496144630961472, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14237288612181048, "hform": -0.02313560711187357}


unique_id: 9f683ed3864a6c806e14e3676910ad43
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NiTe/Ni2Te2-17e9890eeaec", "uid": "2NiTe-2", "olduid": "Ni2Te2-17e9890eeaec", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.5314953209657265, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.056854429773631, "efermi": -4.629604684883044, "minhessianeig": -2.0766345955439723e-11, "dyn_stab": "Yes", "alphax_el": 18.559379378205513, "alphay_el": 18.522696084542954, "alphaz_el": 0.5126403649772707, "plasmafrequency_x": 6.736098312331437, "plasmafrequency_y": 6.790148225488275, "is_magnetic": true, "spin_axis": "y", "dE_zx": 0.013627248904413136, "dE_zy": 0.01370631014196988, "J": 5.262773798449416, "lam": -0.13064116353689315, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.06317315366924481, "hform": -0.13973844304545402}


unique_id: 101b82ee47371687149c3274c10fedce
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NiTe/Ni2Te2-6fd30682aed2", "uid": "2NiTe-5", "olduid": "Ni2Te2-6fd30682aed2", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.587830522937594, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6728687022931834, "efermi": -4.888886102765001, "minhessianeig": -0.005076848055228456, "dyn_stab": "Yes", "alphax_el": 69.98097059701784, "alphay_el": 69.52055697359572, "alphaz_el": 0.696806084228568, "plasmafrequency_x": 9.813023060287605, "plasmafrequency_y": 9.816463357206192, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3680054201530738, "hform": 0.16509382343837498}


unique_id: 4a3d06721d6907f380a307e5bf39e06b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NiTe/Ni2Te2-725232091cb8", "uid": "2NiTe-3", "olduid": "Ni2Te2-725232091cb8", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 3.4476051482564607, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.8799956594166978, "efermi": -4.270309956879868, "minhessianeig": -7.00216762323458e-13, "dyn_stab": "Yes", "alphax_el": 15.36544618776482, "alphay_el": 15.43026927398366, "alphaz_el": 0.4731751909448715, "plasmafrequency_x": 6.7920414113092535, "plasmafrequency_y": 6.800877007989269, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.4713224140004968, "dE_zy": -0.4689484346727113, "J": 32.7251902473904, "lam": 0.19442746025788438, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.06820683210888445, "hform": -0.13470476460581438}


unique_id: 97820fd1c1642eb77c58eb6e998478e3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NiTe/Ni2Te2-ff961754b9cc", "uid": "2NiTe-1", "olduid": "Ni2Te2-ff961754b9cc", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.6151462787057405, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.833318787840345, "efermi": -4.415781487170453, "minhessianeig": -7.083293539322406e-15, "dyn_stab": "Yes", "alphax_el": 18.892998959928235, "alphay_el": 18.86674124632412, "alphaz_el": 0.5121645609993242, "plasmafrequency_x": 8.631009028977413, "plasmafrequency_y": 8.66087992712605, "icsd_id": 76730, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.035847273957952286, "hform": -0.16706432275674654}


unique_id: 601c1f35e911b161bba3f908e3ffcb7c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/NiTe/Ni2Te2-9e9409db468d", "uid": "2NiTe-4", "olduid": "Ni2Te2-9e9409db468d", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.146529248519389, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5392540043994174, "efermi": -4.453003217148101, "minhessianeig": -1.540966520142966e-14, "dyn_stab": "Yes", "alphax_el": 13.27449928983493, "alphay_el": 13.274499289834928, "alphaz_el": 0.46443927929384243, "plasmafrequency_x": 9.295829772087387, "plasmafrequency_y": 9.295829772087389, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.29935330705957375, "hform": 0.09644171034487492}


unique_id: 729559809ad1e4e684c1d1c3456e37a7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeW/Te2W2-7bf338493d02", "uid": "2TeW-5", "olduid": "Te2W2-7bf338493d02", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 6.537758573861086, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.466292598277707, "efermi": -4.089362862771831, "minhessianeig": -4.5586707468164755, "dyn_stab": "No", "gap_hse": 0.0967394151522809, "gap_dir_hse": 0.0967394151522809, "efermi_hse": -4.014042788836213, "vbm_hse": -4.05103649881875, "cbm_hse": -3.954297083666469, "alphax_el": 96.0635290863474, "alphay_el": 96.0635290863474, "alphaz_el": 0.8556380278609373, "plasmafrequency_x": 2.7961446988284706, "plasmafrequency_y": 2.7961446988284715, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7749009251395665, "hform": 0.673075549099007}


unique_id: eb8ab04190c3272f424165eeeeb4b514
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeW/Te2W2-5285e5871b45", "uid": "2TeW-1", "olduid": "Te2W2-5285e5871b45", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.9153961776542294, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.472227574857042, "efermi": -3.3811206139469894, "minhessianeig": -0.029604251322754807, "dyn_stab": "No", "alphax_el": 19.952299945555342, "alphay_el": 20.10097294535168, "alphaz_el": 0.7165194156026798, "plasmafrequency_x": 6.143272162849188, "plasmafrequency_y": 6.157280643385577, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.31795684757983184, "hform": 0.21613147153927237}


unique_id: 51964ad90681653ce2c3d13e57483ea9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeW/Te2W2-9ea4f3dfa067", "uid": "2TeW-6", "olduid": "Te2W2-9ea4f3dfa067", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.9865921150082926, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.071829203344421, "efermi": -4.544377297217533, "minhessianeig": -0.2987349296986359, "dyn_stab": "No", "alphax_el": 42.35435369764841, "alphay_el": 42.01804577427528, "alphaz_el": 0.46342307575247893, "plasmafrequency_x": 7.082541126942314, "plasmafrequency_y": 7.083447849493433, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.0214693745948082, "hform": 0.9196439985542488}


unique_id: b746160f9522c05c1e30651811f369e9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeW/Te2W2-b5d0b0f4ec8e", "uid": "2TeW-3", "olduid": "Te2W2-b5d0b0f4ec8e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.3412898994316755, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.6691101336465906, "efermi": -3.765192494021361, "minhessianeig": -2.4135115601102926, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3996554134261184, "hform": 0.2978300373855589}


unique_id: a0d7c6d9d1e4777f67cb2122b71969ea
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/TeW/Te2W2-da03609c866c", "uid": "2TeW-4", "olduid": "Te2W2-da03609c866c", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 4.16007191340942, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.8695348087207115, "efermi": -3.8639654086036037, "minhessianeig": -6.816125602563985, "dyn_stab": "No", "alphax_el": 45.0965748361879, "alphay_el": 19.85176701734481, "alphaz_el": 3.081212565695344, "plasmafrequency_x": 9.975125687789273, "plasmafrequency_y": 10.859624386891705, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4134630242936695, "hform": 0.31163764825311}


unique_id: 50becc16bd788132361fe6db47ef7743
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/TeW/Te2W2-3a791a80ba2b", "uid": "2TeW-2", "olduid": "Te2W2-6af1c71a4345", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.045278169411084, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3473674933674618, "hform": 0.24554211732690234}


unique_id: 15efdfbe930c30030e0226366e7c5e1b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/HgS/Hg3S3-5d92ff05b972", "uid": "3HgS-1", "olduid": "Hg3S3-347506ead0e4", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 1.9361294063361427, "label": "Wang23", "gap": 1.383330051977643, "gap_dir": 1.383330051977643, "gap_dir_nosoc": 1.4992294802277715, "evac": 2.0476418301750012, "efermi": -5.011825364236988, "vbm": -5.703490390225809, "cbm": -4.320160338248167, "minhessianeig": -7.434408126342317e-16, "dyn_stab": "Yes", "gap_hse": 2.150468977075662, "gap_dir_hse": 2.150468977075662, "efermi_hse": -5.2349554457937, "vbm_hse": -6.3101899343315315, "cbm_hse": -4.159720957255869, "alphax_el": 2.3100170561817395, "alphay_el": 2.310638729401783, "alphaz_el": 0.24030215545891842, "alphax_lat": 3.1501510974808826, "alphax": 5.460168153662622, "alphay_lat": 3.151390931070048, "alphay": 5.462029660471831, "alphaz_lat": 0.01167402128435937, "alphaz": 0.25197617674327777, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09160242338438011, "hform": -0.10516355477223834}


unique_id: 254dc325f3fe56226a71deb2fd69a56b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MoSe/Mo2Se2-765ab0eeb9f4", "uid": "2MoSe-2", "olduid": "Mo2Se2-765ab0eeb9f4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.490453082744974, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.106500293338252, "efermi": -4.099031596098941, "minhessianeig": -4.865954983319646e-14, "dyn_stab": "No", "alphax_el": 21.605902826666398, "alphay_el": 22.01626987507224, "alphaz_el": 0.5048531207831047, "plasmafrequency_x": 7.057452350043343, "plasmafrequency_y": 7.070736417706567, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2633533763733533, "hform": -0.2674617415877485}


unique_id: c4c31a93eb044f3ff812a43e81f4f685
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MoSe/Mo2Se2-1839f45e6116", "uid": "2MoSe-3", "olduid": "Mo2Se2-1839f45e6116", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.829500485609959, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.234083766273045, "efermi": -4.316184814169697, "minhessianeig": -7.76996254937633, "dyn_stab": "No", "alphax_el": 20.416766722893414, "alphay_el": 20.51356370125471, "alphaz_el": 0.5234408480608831, "plasmafrequency_x": 3.9955966008383275, "plasmafrequency_y": 4.006476235479867, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3804757078729857, "hform": -0.15033941008811613}


unique_id: 2dd191af360518b710475e882dbee3ee
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MoSe/Mo2Se2-786836d98bc9", "uid": "2MoSe-5", "olduid": "Mo2Se2-786836d98bc9", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 6.0211865839235355, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.054989551615067, "efermi": -4.920596064079822, "minhessianeig": -4.2475438679868445, "dyn_stab": "No", "alphax_el": 108.15957262584566, "alphay_el": 108.15957262584571, "alphaz_el": 0.6500565938224846, "plasmafrequency_x": 2.68729818838916, "plasmafrequency_y": 2.687298188389161, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5598439894393881, "hform": 0.029028871478286256}


unique_id: 52a0cc81e9c8a2e9d89600d08a941987
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MoSe/Mo2Se2-954d5cb72be3", "uid": "2MoSe-1", "olduid": "Mo2Se2-954d5cb72be3", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.722767980721917, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.162361618591332, "efermi": -4.914258585621635, "minhessianeig": -2.953765929720365e-15, "dyn_stab": "Yes", "alphax_el": 15.0403287802809, "alphay_el": 14.936934632505915, "alphaz_el": 0.6012023719460768, "plasmafrequency_x": 6.550019215290022, "plasmafrequency_y": 6.691454563129621, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.23080077487584205, "hform": -0.30001434308525976}


unique_id: 106d90bde50e00d645b7a9820a9352fb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/MoSe/Mo2Se2-99a5ebe9a48e", "uid": "2MoSe-4", "olduid": "Mo2Se2-99a5ebe9a48e", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.6517418974619256, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.303389752713784, "efermi": -4.57818527050994, "minhessianeig": -8.41216636724696, "dyn_stab": "No", "alphax_el": 44.51276631038396, "alphay_el": 18.53398154706169, "alphaz_el": 0.4985501747899402, "plasmafrequency_x": 4.352857812440543, "plasmafrequency_y": 6.167563132789067, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3995024039896924, "hform": -0.13131271397140942}


unique_id: 9946d0442c2223b03cfa8c3ab293455d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/IRb/I2Rb2-11be6212a512", "uid": "2IRb-1", "olduid": "I2Rb2-11be6212a512", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.7935352330993037, "label": "original03-18", "gap": 3.713828303788546, "gap_dir": 3.7143746141414384, "gap_dir_nosoc": 4.054829702403973, "evac": 1.2866140774435346, "efermi": -3.698766852241559, "vbm": -5.555681004135832, "cbm": -1.8418527003472862, "minhessianeig": -5.500499361190388e-13, "dyn_stab": "Yes", "gap_hse": 4.612563320157292, "gap_dir_hse": 4.612563320157292, "efermi_hse": -3.941753825031344, "vbm_hse": -6.248035484798503, "cbm_hse": -1.635472164641211, "E_B": 1.6290263293120661, "alphax_el": 0.5027026569644321, "alphay_el": 0.5027026569644321, "alphaz_el": 0.20498185931645985, "alphax_lat": 0.7750534896424757, "alphax": 1.2777561466069076, "alphay_lat": 0.7758195396944504, "alphay": 1.2785221966588824, "alphaz_lat": 0.21985585951023723, "alphaz": 0.4248377188266971, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1367765928892335, "hform": -1.3971775609714296}


unique_id: e2906bfce33350d6ef83733af889327e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AsTl/As2Tl2-38a50b00a333", "uid": "2AsTl-2", "olduid": "As2Tl2-c66de5c34d26", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 5.048522844435899, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.420711910977432, "efermi": -3.422159169260589, "minhessianeig": -0.1927087260706649, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07445514370998518, "hform": 0.07445514370998518}


unique_id: 745b8bf63165410af6a48530072d55f0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AsTl/As2Tl2-0887f6649e95", "uid": "2AsTl-1", "olduid": "As2Tl2-0eeade3734ea", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.801273503246914, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.272579458463661, "efermi": -3.1594041487909927, "minhessianeig": -1.6359123478154167e-13, "dyn_stab": "Yes", "alphax_el": 15.12813667474549, "alphay_el": 9.838746042168697, "alphaz_el": 0.5681743613186181, "plasmafrequency_x": 6.546643160854502, "plasmafrequency_y": 9.988257833448408, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.044223706597597, "hform": 0.044223706597597}


unique_id: 4161ba22f704f098fd16a139ed1f17f0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HPt/H2Pt2-47d296e96fdc", "uid": "2HPt-1", "olduid": "H2Pt2-c46045e2509f", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.467557242836085, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.502171728021247, "efermi": -5.1418760738777864, "minhessianeig": -2.5392029836133712e-15, "dyn_stab": "Yes", "alphax_el": 51.30608772294785, "alphay_el": 50.99769609456104, "alphaz_el": 1.044454812917937, "plasmafrequency_x": 13.555533038686185, "plasmafrequency_y": 13.567722215119009, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.018058056170726665, "hform": 0.018058056170726644}


unique_id: 2d806a66cd0513b7eaeb209150c29b43
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClCu/Cl8Cu8-8b016584b116", "uid": "8ClCu-2", "olduid": "Cl8Cu8-abaa95b397aa", "international": "Cmme", "number": 67, "has_inversion_symmetry": true, "lgnum": 48, "layergroup": "cmme", "bravais_type": "Centered rectangular (oc)", "thickness": 3.4713098994327565, "label": "Wang23", "gap": 1.9852565622408822, "gap_dir": 1.9852565622408822, "gap_dir_nosoc": 1.99264967530588, "evac": 2.1684181393615987, "efermi": -4.329805588448756, "vbm": -5.322433869569197, "cbm": -3.3371773073283144, "minhessianeig": -0.08604475719845202, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06835610578847051, "hform": -0.38303213132973246}


unique_id: 616ef8813ed480ea115119ed53bea790
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClCu/Cl8Cu8-e68c9580efa6", "uid": "8ClCu-1", "olduid": "Cl8Cu8-d22a49e9a4ed", "international": "Aem2", "number": 39, "has_inversion_symmetry": false, "lgnum": 36, "layergroup": "cm2e", "bravais_type": "Centered rectangular (oc)", "thickness": 5.385314839781048, "label": "Wang23", "gap": 2.58991125904432, "gap_dir": 2.58991125904432, "gap_dir_nosoc": 2.6030290749352845, "evac": 1.880144213461116, "efermi": -4.466955371428027, "vbm": -5.761911000950187, "cbm": -3.171999741905867, "minhessianeig": -0.05496266338780303, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04744528799658987, "hform": -0.4039429491216131}


unique_id: e0ae5afaa0e6f89559af6d0ee1079f74
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/CsTl/Cs2Tl2-282d86ce80dd", "uid": "2CsTl-1", "olduid": "Cs2Tl2-768a9a3748af", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 6.496970831921579, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.342147924442011, "efermi": -1.9204966567009658, "minhessianeig": -0.05538848214211625, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.11274327065094134, "hform": -0.012593257712631312}


unique_id: 68fd69ebf1b06789a0bf76bd8a5fb0f3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClTl/Cl6Tl6-9604f990efda", "uid": "6ClTl-2", "olduid": "Cl6Tl6-675b12cca81e", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 5.748116058468748, "label": "Wang23", "gap": 2.6290247578802486, "gap_dir": 2.6290247578802486, "gap_dir_nosoc": 2.8925939620459777, "evac": 2.539911599323471, "efermi": -4.182483945219438, "vbm": -5.4969963241595625, "cbm": -2.8679715662793135, "minhessianeig": -0.0421720775782299, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08564068381095913, "hform": -0.9385621865551101}


unique_id: 2ad1eac7a26da0d47b86c9fdca2cb4c3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClTl/Cl6Tl6-4f26db747fbb", "uid": "6ClTl-1", "olduid": "Cl6Tl6-cea4b49f3039", "international": "P4bm", "number": 100, "has_inversion_symmetry": false, "lgnum": 56, "layergroup": "p4bm", "bravais_type": "Square (tp)", "thickness": 3.0467020825611177, "label": "Wang23", "gap": 3.1391631416619807, "gap_dir": 3.1391631416619807, "gap_dir_nosoc": 3.4582855637900494, "evac": 2.2812078117862895, "efermi": -4.2540577684093694, "vbm": -5.82363933924036, "cbm": -2.6844761975783795, "minhessianeig": -8.9541944218378e-16, "dyn_stab": "Yes", "gap_hse": 4.152992843789406, "gap_dir_hse": 4.172445083312336, "efermi_hse": -4.395759621585739, "vbm_hse": -6.472256043480442, "cbm_hse": -2.3192631996910364, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.060678607386256335, "hform": -0.963524262979813}


unique_id: 4f487cbefe000668a4b50a5073e4d7a9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/CuTe/Cu6Te6-893a190e4056", "uid": "6CuTe-1", "olduid": "Cu6Te6-33cb085aee29", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 4.061340459484865, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.009162305546721, "efermi": -4.686289487971917, "minhessianeig": -0.12348193512045563, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05594201885823106, "hform": -0.03300621139072154}


unique_id: 6b73e77d43de879c2692fc6f76d9fe2a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CrF/Cr2F2-29321554cfde", "uid": "2CrF-2", "olduid": "Cr2F2-29321554cfde", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.9441742260198573, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.0275878525927182, "efermi": -5.160003207791155, "minhessianeig": -9.628560599965986, "dyn_stab": "No", "plasmafrequency_x": 8.057182241591464, "plasmafrequency_y": 8.057182241591464, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.913981137131259, "dE_zy": -0.9139704957874528, "J": -135.76218259051487, "lam": 0.1405309102402441, "A": 0.3648854963529402, "spin": 1.0, "N_nn": 4, "ehull": 1.2745936366842776, "hform": -0.5598765537310575}


unique_id: b290c4f784334acb7e18b9447bfb2f48
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CrF/Cr2F2-bfc9ab28e034", "uid": "2CrF-1", "olduid": "Cr2F2-bfc9ab28e034", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.409190399500339, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.710952843864998, "efermi": -5.973034899080059, "minhessianeig": -0.25133397355788456, "dyn_stab": "No", "alphax_el": 13.48089909516565, "alphay_el": 14.197877489671711, "alphaz_el": 1.7592675506174467, "plasmafrequency_x": 3.096949601195055, "plasmafrequency_y": 3.3343436231546635, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3579154869583472, "hform": -1.476554703456988}


unique_id: cb46c6eca4f5285defbd7745fd9bf66c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HZr/H2Zr2-3a9a89458df5", "uid": "2HZr-1", "olduid": "H2Zr2-d11f0c575b66", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.712548936997706, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3192381364252461, "hform": -0.1453061363942636}


unique_id: 64e934f7eba963d4eb7516851111e98c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/BiTl/BiTl-d44474f49952", "uid": "1BiTl-1", "olduid": "BiTl-554bb3bf0877", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 0.8306687814936318, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.4309009326001094, "hform": 0.42035677617199374}


unique_id: ba12f0ebeda5ed47d6eb75024737ae89
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/RhS/Rh2S2-75d2f4af683a", "uid": "2RhS-2", "olduid": "Rh2S2-75d2f4af683a", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.5697018977395265, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.2321235033812785, "efermi": -4.401060505169169, "minhessianeig": -2.008928515498887e-11, "dyn_stab": "No", "alphax_el": 17.393502986800243, "alphay_el": 17.303348743726552, "alphaz_el": 0.3718716941907758, "plasmafrequency_x": 7.66294010533312, "plasmafrequency_y": 7.670169146031002, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.0301542268061894, "dE_zy": -0.030157496439642273, "J": 3.0600986919466777, "lam": -0.031877023843662755, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.16487654996481244, "hform": -0.3139919250989225}


unique_id: d22f7c8580b981f05f360a5ecdb7fede
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/RhS/Rh2S2-9c8d6bff6d32", "uid": "2RhS-3", "olduid": "Rh2S2-9c8d6bff6d32", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 5.185943101514508, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.949434906812833, "efermi": -4.950328492402164, "minhessianeig": -0.31355672423300607, "dyn_stab": "No", "gap_hse": 0.10994108696802547, "gap_dir_hse": 1.1314487121504129, "efermi_hse": -5.0890299651258335, "vbm_hse": -5.179674079056439, "cbm_hse": -5.069732992088414, "alphax_el": 19.378445032789568, "alphay_el": 19.37844503278955, "alphaz_el": 0.5697709465183711, "plasmafrequency_x": 3.57775561698572, "plasmafrequency_y": 3.577755616985721, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.20063913529472238, "hform": -0.27822933976901254}


unique_id: fb14cf3421aff8be02c5bf6329b2271b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/RhS/Rh2S2-b6bb3fec8a82", "uid": "2RhS-4", "olduid": "Rh2S2-b6bb3fec8a82", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.102456991021498, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.790710368314919, "efermi": -4.807510420374145, "minhessianeig": -0.4263101411647189, "dyn_stab": "No", "alphax_el": 41.2910568735805, "alphay_el": 41.644167271329394, "alphaz_el": 0.8877466969930884, "plasmafrequency_x": 6.458756211107434, "plasmafrequency_y": 6.535944657904999, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2279570790446051, "hform": -0.2509113960191298}


unique_id: cfad4aca817d82f593e96c0d4b26051e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/RhS/Rh2S2-e1013e9968c8", "uid": "2RhS-1", "olduid": "Rh2S2-e1013e9968c8", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.02017562068096, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.680368041325844, "efermi": -4.782731036916965, "minhessianeig": -1.1750176573185031e-14, "dyn_stab": "Yes", "alphax_el": 28.914468107924833, "alphay_el": 28.67034556015953, "alphaz_el": 1.3026235517308355, "plasmafrequency_x": 9.601829033717241, "plasmafrequency_y": 9.63115090455046, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1612189938855884, "hform": -0.3176494811781465}


unique_id: e6d94f287aab9c280afee4c959b1f688
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/RhS/Rh2S2-fa75ce2de67f", "uid": "2RhS-5", "olduid": "Rh2S2-fa75ce2de67f", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 3.422497108804496, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.8248275597803207, "efermi": -5.5904080240357334, "minhessianeig": -0.16382733789162707, "dyn_stab": "No", "alphax_el": 42.66385088332434, "alphay_el": 66.69576201974962, "alphaz_el": 0.4934551980402302, "plasmafrequency_x": 7.468018910133475, "plasmafrequency_y": 8.982881620765, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.410454353967833, "hform": -0.06841412109590195}


unique_id: 88e281f166bfac822adac16a9157ccaf
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CaCu/Ca2Cu2-fe7fa487cfdf", "uid": "2CaCu-1", "olduid": "Ca2Cu2-8100d18ccf27", "international": "P6/mmm", "number": 191, "has_inversion_symmetry": true, "lgnum": 80, "layergroup": "p6/mmm", "bravais_type": "Hexagonal (hp)", "thickness": 3.609727745607911, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1758459289819722, "hform": -0.00047482655902619797}


unique_id: a93451fe9019af2cd47f9cd878daf630
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BiO/Bi2O2-53ac438f321b", "uid": "2BiO-1", "olduid": "Bi2O2-53ac438f321b", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.4085143927414867, "label": "original03-18", "gap": 0.12027701846549643, "gap_dir": 0.5924237355427001, "gap_dir_nosoc": 1.6609328323977097, "evac": 3.483935697888543, "efermi": -4.279906010496442, "vbm": -4.34004451972919, "cbm": -4.219767501263694, "minhessianeig": -6.678604876254649e-15, "dyn_stab": "Yes", "gap_hse": 1.0415505741889353, "gap_dir_hse": 1.318438739013465, "efermi_hse": -4.3770603825492245, "vbm_hse": -4.910909861421176, "cbm_hse": -3.869359287232241, "gap_gw": 1.1860031018775041, "gap_dir_gw": 1.7471028088420741, "efermi_gw": -4.376599565956703, "vbm_gw": -4.965247769417837, "cbm_gw": -3.7792446675403326, "E_B": 0.6076921976580263, "alphax_el": 4.054120754558552, "alphay_el": 4.054120754558551, "alphaz_el": 0.46573754137816814, "alphax_lat": 2.875134286096144, "alphax": 6.929255040654696, "alphay_lat": 2.8740081626113203, "alphay": 6.928128917169872, "alphaz_lat": 0.04239513376688514, "alphaz": 0.5081326751450532, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.3188257514849815, "hform": -0.7152191295618868}


unique_id: d292694b3340ebb8c2483335fb7afc35
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Bi4Ca4F4O4", "uid": "2BiO-3", "olduid": "Bi2O2-c30fef0f4e90", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.7303760118714706, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.805320308031558, "efermi": -3.405886375120389, "minhessianeig": -7.656188570709947, "dyn_stab": "No", "cod_id": 1528107, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.5324750388027664, "hform": -0.501569842244102}


unique_id: d140687b02abe357d834a0e8a24fe772
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/BiO/Bi2O2-ad86932145b8", "uid": "2BiO-2", "olduid": "Bi2O2-895dbab6975c", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.805213781293747, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.44537870860489925, "hform": -0.5886661724419691}


unique_id: 37ae35c394c8f26cc62b07d5e2704ca9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CdCl/Cd2Cl2-3048c47efb6e", "uid": "2CdCl-4", "olduid": "Cd2Cl2-3048c47efb6e", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.850915665921714, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.8972231971251947, "efermi": -5.616608102589866, "minhessianeig": -2.4641473423224354, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4810358546535254, "hform": -0.3569461038979407}


unique_id: a0ca351b35af9085a01a2d7f7c24dd0f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CdCl/Cd2Cl2-75f9115dd14e", "uid": "2CdCl-2", "olduid": "Cd2Cl2-75f9115dd14e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.439204775182601, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.342502934341789, "efermi": -5.7163664421229985, "minhessianeig": -0.7427004367435102, "dyn_stab": "No", "alphax_el": 16.283818708072786, "alphay_el": 19.36077873013206, "alphaz_el": 0.5053866170340273, "plasmafrequency_x": 2.478972248708274, "plasmafrequency_y": 2.6453200842532607, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.16726938469238273, "hform": -0.6707125738590833}


unique_id: 96c5d7ac0a732852620e98a589a6e8ef
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CdCl/Cd2Cl2-5853dda908d9", "uid": "2CdCl-1", "olduid": "Cd2Cl2-0089607de839", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.511154244848874, "label": "Lyngby22_LDP", "gap": 1.6745004955026992, "gap_dir": 2.7002518369962285, "gap_dir_nosoc": 2.7032767914109628, "evac": 3.8727125687809845, "efermi": -5.470042916260943, "vbm": -6.307293164012293, "cbm": -4.632792668509594, "minhessianeig": -2.548301855995704e-15, "dyn_stab": "Yes", "gap_hse": 2.3096990217054163, "gap_dir_hse": 3.4700257112929362, "efermi_hse": -5.540167478019134, "vbm_hse": -6.695016988871842, "cbm_hse": -4.385317967166426, "alphax_el": 2.1192429593419186, "alphay_el": 2.113248240564571, "alphaz_el": 0.4957642931655086, "alphax_lat": 3.786884040765104, "alphax": 5.9061270001070225, "alphay_lat": 3.8524667195251863, "alphay": 5.965714960089757, "alphaz_lat": 0.09760982596344994, "alphaz": 0.5933741191289585, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0410652475037494, "hform": -0.7969167110477167}


unique_id: 470e1ee844032902b567a008c75e048f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB/CdCl/Cd2Cl2-f9e56210a54b", "uid": "2CdCl-3", "olduid": "Cd2Cl2-7b0e7f62985f", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.2378781020818757, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.4228164898098197, "hform": -0.4151654687416464}


unique_id: 7295cb6a08a93419402b90f7f195533b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/AgO/Ag2O2-520a721ec074", "uid": "2AgO-1", "olduid": "Ag2O2-520a721ec074", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 1.2193304400243061, "label": "original03-18", "gap": 0.1638687202561293, "gap_dir": 0.7588362557749297, "gap_dir_nosoc": 0.7695561377013802, "evac": 1.8546107007589767, "efermi": -5.469571258724537, "vbm": -5.551505618852602, "cbm": -5.387636898596472, "minhessianeig": -5.951289979991982e-11, "dyn_stab": "Yes", "gap_hse": 1.1257963901064443, "gap_dir_hse": 1.8293412917767906, "efermi_hse": -6.13855621556924, "vbm_hse": -6.698456785575711, "cbm_hse": -5.572660395469267, "E_B": 1.1793559101145392, "alphax_el": 4.43299039460695, "alphay_el": 2.8897021971750068, "alphaz_el": 0.1871072521898885, "alphax_lat": 1.067811429605182, "alphax": 5.500801824212132, "alphay_lat": 0.13838566216452045, "alphay": 3.0280878593395273, "alphaz_lat": 0.017707961945529763, "alphaz": 0.20481521413541826, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05808328915265015, "hform": -0.04612506108342407}


unique_id: e2335f72e445c34a36e823401bb45af8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgO/Ag2O2-1451e6222dcc", "uid": "2AgO-2", "olduid": "Ag2O2-711ff85309ce", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.9977839870782717, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3067275303638466, "hform": 0.20251918012777237}


unique_id: 9cf66c2d9a4d6e47e1c8feb6d258067b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/ClSeCr2S4/ClSeCr2S4-6dd67922ce5a", "uid": "1ClSeCr2S4-1", "olduid": "ClSeCr2S4-c9c59e44ce44", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.1847189399074978, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2503348970834498, "hform": -0.36480119356551377}


unique_id: 1a3c089fa453fb6b96042eda3b8ad935
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/PSiNi2S4/PSiNi2S4-1ea20796840e", "uid": "1PSiNi2S4-1", "olduid": "PSiNi2S4-4919bda18cb4", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 3.156135966155091, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.34060092835957967, "hform": -0.1589837035897732}


unique_id: ff30f1dda383d7c9dcf95318ea6715da
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Na2H8I2O4", "uid": "2INaO2H4-1", "olduid": "I2Na2O4H8-732c5098d429", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 4.448075934264036, "label": "exfoliated02-21", "gap": 3.590841253073193, "gap_dir": 3.602106516187172, "gap_dir_nosoc": 3.8688016113068238, "evac": 1.1559618126559092, "efermi": -4.1332362737858706, "vbm": -5.928656900322467, "cbm": -2.3378156472492746, "minhessianeig": -3.7013520024945803e-14, "dyn_stab": "Yes", "gap_hse": 4.595953332495753, "gap_dir_hse": 4.60810681685753, "efermi_hse": -4.337190683864472, "vbm_hse": -6.635167350112349, "cbm_hse": -2.039214017616596, "alphax_el": 0.783036131836035, "alphay_el": 0.8575704377120501, "alphaz_el": 0.32684104403687025, "alphax_lat": 1.827526100119981, "alphax": 2.610562231956016, "alphay_lat": 3.1890823517234077, "alphay": 4.046652789435457, "alphaz_lat": 0.19639275994753896, "alphaz": 0.5232338039844092, "cod_id": 7202888, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.023108804498589208, "hform": -1.1212696753035534}


unique_id: 5531a4b4b9f2eb278f06c0c61b98093f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/FIPt2S4/FIPt2S4-b19ac0eca795", "uid": "1FIPt2S4-1", "olduid": "FIPt2S4-08bdaf88a9d4", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 6.100989826489357, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.3073674497553762, "hform": -0.24792540225579351}


unique_id: 3a4b5db10c5e3a69265e5af59e8e477f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/NbPdMn2Se4/NbPdMn2Se4-21ca731b8217", "uid": "1NbPdMn2Se4-1", "olduid": "NbPdMn2Se4-0dd44776d274", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 3.659177801355992, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.13866695976578147, "hform": -0.415990194248514}


unique_id: 42b81aafb87f753493b8c912c0774cba
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/MnSeH2O4/Mn2Se2H4O8-7e96ad006af6", "uid": "2MnSeH2O4-1", "olduid": "Mn2Se2H4O8-a4acaf70f51b", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 5.665813564475405, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1308830396131868, "hform": -1.0520127642755233}


unique_id: ae9d936ad96195deb9a8be33e056d869
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SWMo2Br4/SWMo2Br4-e1d95b34f6be", "uid": "1SWMo2Br4-1", "olduid": "SWMo2Br4-62007f03b8ae", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 4, "layergroup": "p11m", "bravais_type": "Oblique (mp)", "thickness": 4.310236088045961, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.6709612321236149, "hform": -0.04044950496666111}


unique_id: 96b3f8ddcbb7033a7073c59313fa97f2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/MnTeH2O4/Mn2Te2H4O8-e3120b74c1fa", "uid": "2MnTeH2O4-1", "olduid": "Mn2Te2H4O8-bfefa52650f6", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 4.464781670794583, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1008432922675333, "hform": -1.135773521552803}


unique_id: fac9b08ae4965e8cc9fff3fe5b984587
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/BrLiO2F4/Br2Li2O4F8-54adcadd2884", "uid": "2BrLiO2F4-1", "olduid": "Br2Li2O4F8-030ffbd990cb", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 9.916678945044938, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2930614008921859, "hform": -0.9286177587281856}


unique_id: 96710a2aed4d5b38fd7705711d2492a6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/InNbSe2I4/InNbSe2I4-f98730200ea9", "uid": "1InNbSe2I4-1", "olduid": "InNbSe2I4-025af0182f64", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 6.922275925879713, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.13344414103634494, "hform": -0.4791589505079141}


unique_id: d9e86c7634d50a7c18c63c80f06c140d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/FeSeH2S4/Fe2Se2H4S8-7f9e31d3081b", "uid": "2FeSeH2S4-1", "olduid": "Fe2Se2H4S8-f93d2a6cee0b", "international": "P2_1", "number": 4, "has_inversion_symmetry": false, "lgnum": 9, "layergroup": "p2_111", "bravais_type": "Rectangular (op)", "thickness": 4.470116414486313, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.19964402271526893, "hform": -0.06698556654840182}


unique_id: d52317b238f78808420b8e8acf23e443
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/K4As4F16O8", "uid": "2AsKO2F4-1", "olduid": "As2K2O4F8-9912cc3006f1", "international": "P2/c", "number": 13, "has_inversion_symmetry": true, "lgnum": 7, "layergroup": "p112/a", "bravais_type": "Oblique (mp)", "thickness": 7.174052801590641, "label": "exfoliated02-21", "gap": 0.5213558595347569, "gap_dir": 0.5213558595347569, "gap_dir_nosoc": 0.5212351977733247, "evac": 1.8801263090399352, "efermi": -8.249571946958982, "vbm": -8.51024987672636, "cbm": -7.988894017191603, "dyn_stab": "Unknown", "icsd_id": 59415, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.10192674108111532, "dE_zy": -0.0776194472109637, "ehull": 0.2729042286777117, "hform": -1.697006576829474}


unique_id: 60734ac127f73819ea3e550c6eb336bc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SSeNb2Br4/SSeNb2Br4-a4523b29d4bb", "uid": "1SSeNb2Br4-1", "olduid": "SSeNb2Br4-37dbea28e851", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 4.4323180028007085, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.15902604348223315, "hform": -0.817497544128079}


unique_id: 6c25439879eaab246b5eb4dc758f5879
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SSeAu2Br4/SSeAu2Br4-253d2ca8484e", "uid": "1SSeAu2Br4-1", "olduid": "SSeAu2Br4-0522776b1474", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 23, "layergroup": "pmm2", "bravais_type": "Rectangular (op)", "thickness": 5.906238491408494, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.28490799317392645, "hform": 0.1476133946568221}


unique_id: 5b0f60d65ea8f7af74c1d74551a82ced
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SVAu2I4/SVAu2I4-11ad6a1bf0dc", "uid": "1SVAu2I4-1", "olduid": "SVAu2I4-af780a05340e", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.8115741097529927, "label": "Lyngby22_CDVAE", "gap": 0.5747417069130374, "gap_dir": 0.5900748553253261, "gap_dir_nosoc": 0.6582322580593276, "evac": 2.7220036957784552, "efermi": -5.217990878086224, "vbm": -5.5053617315427426, "cbm": -4.930620024629706, "minhessianeig": -2.2084587221259437e-15, "dyn_stab": "Yes", "gap_hse": 2.063180146605827, "gap_dir_hse": 2.0856472286319763, "efermi_hse": -5.179166834707695, "vbm_hse": -6.210756908010609, "cbm_hse": -4.147576761404781, "alphax_el": 3.060614829787019, "alphay_el": 2.4113045869261884, "alphaz_el": 0.3915818891114913, "alphax_lat": 0.75894927850468, "alphax": 3.819564108291699, "alphay_lat": 0.7924696301767737, "alphay": 3.2037742171029624, "alphaz_lat": 0.026839483024521212, "alphaz": 0.4184213721360125, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.18096874862294499, "dE_zy": 0.1028841303423178, "ehull": 0.08619231542855649, "hform": -0.26057732735300165}


unique_id: 843636785c52122c6440671049f4ac03
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/ClNaS2H4/Cl2Na2S4H8-17c2cc979403", "uid": "2ClNaS2H4-1", "olduid": "Cl2Na2S4H8-0c29d0b69e77", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.825604317018449, "label": "Lyngby22_LDP", "gap": 4.323628040497962, "gap_dir": 4.488518162701771, "gap_dir_nosoc": 4.492367824215144, "evac": 0.9187069920513391, "efermi": -3.6979873651411697, "vbm": -5.85980138539015, "cbm": -1.5361733448921888, "minhessianeig": -0.06012171682829415, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04357769617582097, "hform": -0.5514137553325442}


unique_id: 8ed10abfa1c5c8481fa14291d59559ed
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/BrKS2F4/Br2K2S4F8-3e612cac976a", "uid": "2BrKS2F4-1", "olduid": "Br2K2S4F8-6a16065e10ec", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 6.55945590825781, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.16231640016283722, "hform": -1.3468615683495222}


unique_id: fbef5e167aee03f8e2e4032eda6cebf4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/IPRe2S4/IPRe2S4-39b4fa4ef3eb", "uid": "1IPRe2S4-1", "olduid": "IPRe2S4-80517cd1e382", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 5.69229275715956, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.5247775868340363, "hform": 0.06427411627274449}


unique_id: 6f015b3be8a1b5369e58a3dee54cbac5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/IKS2H4/I2K2S4H8-f9b2e0654ff9", "uid": "2IKS2H4-1", "olduid": "I2K2S4H8-75333f3830c7", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.992030997556336, "label": "Lyngby22_LDP", "gap": 3.533914841139144, "gap_dir": 3.533914841139144, "gap_dir_nosoc": 3.774304448145627, "evac": 1.026261936155617, "efermi": -3.547563446966781, "vbm": -5.314520867536353, "cbm": -1.780606026397209, "minhessianeig": -0.026822014857021705, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.028732628384055214, "hform": -0.4865232857701556}


unique_id: b9e700972063fe023654c70cc4063359
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/SZnN2H4/S2Zn2N4H8-d311e5e15c64", "uid": "2SZnN2H4-1", "olduid": "S2Zn2N4H8-8a10b1186b1d", "international": "P2_1", "number": 4, "has_inversion_symmetry": false, "lgnum": 9, "layergroup": "p2_111", "bravais_type": "Rectangular (op)", "thickness": 8.165202746481373, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.13372517694958774, "hform": -0.3192035933865949}


unique_id: a9e53485eb940cf808ad4358c9b9ed0c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/NOTa2I4/NOTa2I4-1be65b1fa2de", "uid": "1NOTa2I4-1", "olduid": "NOTa2I4-e97745e15b47", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 4, "layergroup": "p11m", "bravais_type": "Oblique (mp)", "thickness": 4.22648962325034, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.22088582698904013, "hform": -0.8398939427021679}


unique_id: 9ff614f7b9592be50d79c9ae8b95aa4b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/GeMnTe2Br4/GeMnTe2Br4-90b7fc229e78", "uid": "1GeMnTe2Br4-1", "olduid": "GeMnTe2Br4-43826b424123", "international": "C2", "number": 5, "has_inversion_symmetry": false, "lgnum": 10, "layergroup": "c211", "bravais_type": "Centered rectangular (oc)", "thickness": 3.4884651608842248, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.14379174955289498, "hform": -0.3775270254012302}


unique_id: ffe4073e92b8380ccd489599458ea61f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Co4H8O16Se4", "uid": "2CoSeH2O4-1", "olduid": "Co2Se2H4O8-ccb0781e5656", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 3.8988686297621094, "label": "exfoliated02-21", "gap": 0.47601643203280286, "gap_dir": 0.5068308916093045, "gap_dir_nosoc": 0.5065318964045304, "evac": 1.6241384363261866, "efermi": -4.144153902699925, "vbm": -4.382162118716327, "cbm": -3.9061456866835234, "dyn_stab": "Unknown", "icsd_id": 408099, "is_magnetic": true, "spin_axis": "y", "dE_zx": -0.45157810961882205, "dE_zy": 0.8131253587180254, "ehull": 0.05469090186917802, "hform": -0.8909067821522205}


unique_id: c4cf56d244d23d629028875914a96ccb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SSePd2I4/SSePd2I4-5377c023c0de", "uid": "1SSePd2I4-1", "olduid": "SSePd2I4-4c99cabf556c", "international": "Cm", "number": 8, "has_inversion_symmetry": false, "lgnum": 13, "layergroup": "cm11", "bravais_type": "Centered rectangular (oc)", "thickness": 5.410381172294484, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.23655363679063676, "hform": 0.030982121696750742}


unique_id: fc9bd42571fa0d4e03ef66c8d6e6ebeb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/GaMnCl2Br4/GaMnCl2Br4-526d3b0c433a", "uid": "1GaMnCl2Br4-1", "olduid": "GaMnCl2Br4-52532cd06e53", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 2.990160917019356, "label": "Lyngby22_CDVAE", "gap": 0.42559296666203084, "gap_dir": 0.4687276991239484, "gap_dir_nosoc": 0.4902289164917586, "evac": 2.7488904966105157, "efermi": -6.111256328033471, "vbm": -6.324052811364487, "cbm": -5.898459844702455, "minhessianeig": -1.1733498385105498e-15, "dyn_stab": "Yes", "gap_hse": 1.8321204227178454, "gap_dir_hse": 1.8922950813774762, "efermi_hse": -6.591201150505663, "vbm_hse": -7.507261361864585, "cbm_hse": -5.67514093914674, "alphax_el": 1.9166018582176292, "alphay_el": 2.1785714285630347, "alphaz_el": 0.33178950151956726, "alphax_lat": 5.831651831078578, "alphax": 7.748253689296208, "alphay_lat": 2.0955173808742233, "alphay": 4.2740888094372576, "alphaz_lat": 0.03379211236564199, "alphaz": 0.36558161388520927, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.2222291268481058, "dE_zy": -0.6257839627323847, "J": -0.16188104083170174, "lam": 0.018850438095796562, "A": 0.0648576379565687, "spin": 2.0, "N_nn": 6, "ehull": 0.012289431605744583, "hform": -0.83036058665237}


unique_id: d0376feb5001bd796eab0d5efc8fb896
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SSeOs2Cl4/SSeOs2Cl4-60b166a650e9", "uid": "1SSeOs2Cl4-1", "olduid": "SSeOs2Cl4-5e769803e272", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 2.777262507804341, "label": "Lyngby22_CDVAE", "gap": 0.15560322820260897, "gap_dir": 0.18900231241572119, "gap_dir_nosoc": 0.4231164717061713, "evac": 3.1084320733741286, "efermi": -5.48412746521286, "vbm": -5.561929079314165, "cbm": -5.406325851111555, "minhessianeig": -1.876836642118195e-15, "dyn_stab": "Yes", "gap_hse": 0.8929387774964623, "gap_dir_hse": 0.9408482469012194, "efermi_hse": -5.835772047543925, "vbm_hse": -6.282241436292156, "cbm_hse": -5.389302658795694, "alphax_el": 5.003482139842516, "alphay_el": 5.957717490644909, "alphaz_el": 0.32218022504074867, "alphax_lat": 2.286582035762749, "alphax": 7.290064175605265, "alphay_lat": 2.6735851383299503, "alphay": 8.63130262897486, "alphaz_lat": 0.01751129646932886, "alphaz": 0.33969152151007753, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06575681032927227, "hform": -0.2913910020888739}


unique_id: 6393738df3516d07d38dab91ad4a164a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/IrRuS2Br4/IrRuS2Br4-7381fbd3b4c5", "uid": "1IrRuS2Br4-1", "olduid": "IrRuS2Br4-6c7105f194ff", "international": "Cm", "number": 8, "has_inversion_symmetry": false, "lgnum": 13, "layergroup": "cm11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.775832699146732, "label": "Lyngby22_CDVAE", "gap": 0.03534251804274291, "gap_dir": 0.3194955064990792, "gap_dir_nosoc": 0.3343223401620359, "evac": 3.42880674411201, "efermi": -5.253304239178316, "vbm": -5.270975498199688, "cbm": -5.235632980156945, "minhessianeig": -5.848137444123126e-15, "dyn_stab": "Yes", "gap_hse": 0.5543395854555668, "gap_dir_hse": 0.8497275660142758, "efermi_hse": -5.608398896312513, "vbm_hse": -5.885568689040296, "cbm_hse": -5.33122910358473, "alphax_el": 8.303737257341295, "alphay_el": 5.887578878453715, "alphaz_el": 0.4437405496710035, "alphax_lat": 2.82762727416049, "alphax": 11.131364531501784, "alphay_lat": 0.8476265881779511, "alphay": 6.735205466631665, "alphaz_lat": 0.01774191088721414, "alphaz": 0.4614824605582177, "is_magnetic": true, "spin_axis": "x", "dE_zx": 1.6892235771592823, "dE_zy": -0.7962253980622336, "ehull": 0.06542050941883204, "hform": -0.3171825345651884}


unique_id: bb6bd16baef22f885532e6ab431097a7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/AgMnCl2Br4/AgMnCl2Br4-a14af2070763", "uid": "1AgMnCl2Br4-1", "olduid": "AgMnCl2Br4-ba197ceaf955", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.1161035579346255, "label": "Lyngby22_CDVAE", "gap": 0.12105812027198048, "gap_dir": 0.23453622086253167, "gap_dir_nosoc": 0.24379475305185094, "evac": 2.5063498136355906, "efermi": -6.419400914056266, "vbm": -6.479929974192256, "cbm": -6.3588718539202755, "minhessianeig": -3.070714053087177, "dyn_stab": "No", "is_magnetic": true, "spin_axis": "x", "dE_zx": 1.8058999887671234, "dE_zy": -1.5720777744263614, "ehull": 0.0, "hform": -0.530345924449652}


unique_id: adbb42d180ff5963fe078f884b084ca4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Cd4H8O16Se4", "uid": "2CdSeH2O4-1", "olduid": "Cd2Se2H4O8-0f871cec63aa", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 4.208067056257665, "label": "exfoliated02-21", "gap": 4.103775366960745, "gap_dir": 4.104051172510972, "gap_dir_nosoc": 4.112316559303062, "evac": 1.6041481209041981, "efermi": -4.391879468358973, "vbm": -6.443767151839346, "cbm": -2.3399917848786007, "minhessianeig": -5.338865160135248e-15, "dyn_stab": "Yes", "gap_hse": 5.4850973941403804, "gap_dir_hse": 5.4850973941403804, "efermi_hse": -4.758891015325164, "vbm_hse": -7.501439712395354, "cbm_hse": -2.016342318254974, "alphax_el": 1.2084199368110375, "alphay_el": 1.1641941334186832, "alphaz_el": 0.342106614284427, "alphax_lat": 2.857146689775133, "alphax": 4.065566626586171, "alphay_lat": 3.039086769926125, "alphay": 4.203280903344808, "alphaz_lat": 0.0870407613759895, "alphaz": 0.4291473756604165, "cod_id": 2007038, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 722.3453010585233, "ehull": 0.0, "hform": -1.053894295366197}


unique_id: 97e0a031ee0ed25591e3d0bb4ee57604
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/AlInS2I4/AlInS2I4-153d7c9c6934", "uid": "1AlInS2I4-1", "olduid": "AlInS2I4-0ef3d5f65668", "international": "P4mm", "number": 99, "has_inversion_symmetry": false, "lgnum": 55, "layergroup": "p4mm", "bravais_type": "Square (tp)", "thickness": 6.909530116073667, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2721257595557318, "hform": -0.3234475897347693}


unique_id: 236980fa6b4396c4ed998c8887d1f263
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/HgTeH2O4/Hg2Te2H4O8-a65fff03fc3d", "uid": "2HgTeH2O4-1", "olduid": "Hg2Te2H4O8-d313fdb48299", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 4.63058418285765, "label": "Lyngby22_LDP", "gap": 2.5202080042863666, "gap_dir": 2.5202080042863666, "gap_dir_nosoc": 2.5952198798137416, "evac": 1.6219139363959112, "efermi": -4.361288707818043, "vbm": -5.621392709961227, "cbm": -3.1011847056748603, "minhessianeig": -5.484494995625148e-15, "dyn_stab": "Yes", "gap_hse": 3.8685044304915905, "gap_dir_hse": 3.8685044304915905, "efermi_hse": -4.841780436187531, "vbm_hse": -6.776032651433327, "cbm_hse": -2.907528220941736, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.022036557921120137, "hform": -0.8967988099743271}


unique_id: 1253eb4120a95a51d93e0c921ee3552c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/CrTiGe2I4/CrTiGe2I4-00a107f84367", "uid": "1CrTiGe2I4-1", "olduid": "CrTiGe2I4-19d5dc6b9944", "international": "Cmmm", "number": 65, "has_inversion_symmetry": true, "lgnum": 47, "layergroup": "cmmm", "bravais_type": "Centered rectangular (oc)", "thickness": 4.641320907047819, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.42212319857468494, "hform": -0.07574910758109521}


unique_id: baca28e93d8fe42546b383179c5f06e9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/CdTeH2S4/Cd2Te2H4S8-2e24dee945d8", "uid": "2CdTeH2S4-1", "olduid": "Cd2Te2H4S8-dd49daba3065", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 5.22450738267184, "label": "Lyngby22_LDP", "gap": 1.8773488612055593, "gap_dir": 1.8884773101390326, "gap_dir_nosoc": 1.924771404510189, "evac": 1.8230787464000169, "efermi": -4.543118656459759, "vbm": -5.481793087062538, "cbm": -3.6044442258569793, "minhessianeig": -0.16461600857147926, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06891939627783197, "hform": -0.16542951476049073}


unique_id: 755a33e4e9c9f787a52f488ac952ca13
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/HgSeF2S4/Hg2Se2F4S8-883a314620f3", "uid": "2HgSeF2S4-1", "olduid": "Hg2Se2F4S8-ea8e8f8b7f3f", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 7.195248111706871, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2304285522223235, "hform": -0.3897224766795264}


unique_id: 378ad69e91406580a2c21f58929874e8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/HgSeH2S4/Hg2Se2H4S8-035368515b47", "uid": "2HgSeH2S4-1", "olduid": "Hg2Se2H4S8-14acb37c8a6d", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 5.645525353534639, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14616115411665934, "hform": 0.017046319500458207}


unique_id: c1f212976e8312609330c045ffdf906f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/ClLiO2H4/Cl2Li2O4H8-8ed8d154898f", "uid": "2ClLiO2H4-1", "olduid": "Cl2Li2O4H8-a9b006af9c42", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 4.162178360019375, "label": "Lyngby22_LDP", "gap": 4.762992577738964, "gap_dir": 4.764264956533335, "gap_dir_nosoc": 4.778076300268866, "evac": 0.9590851666002911, "efermi": -4.032311818764493, "vbm": -6.413808107633974, "cbm": -1.6508155298950102, "minhessianeig": -1.039305693516918e-14, "dyn_stab": "Yes", "gap_hse": 6.111150256482566, "gap_dir_hse": 6.113232660984849, "efermi_hse": -4.408991542687576, "vbm_hse": -7.464566670928859, "cbm_hse": -1.3534164144462928, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02903615228292855, "hform": -1.250270503928629}


unique_id: 73acf753d8bb578fbfce50e28e4ef492
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/NiTeH2O4/Ni2Te2H4O8-8a58b13c4389", "uid": "2NiTeH2O4-1", "olduid": "Ni2Te2H4O8-8464fdaed2f4", "international": "P2_1", "number": 4, "has_inversion_symmetry": false, "lgnum": 9, "layergroup": "p2_111", "bravais_type": "Rectangular (op)", "thickness": 4.205883382614616, "label": "Lyngby22_LDP", "gap": 1.0108418348898078, "gap_dir": 1.047412104996632, "gap_dir_nosoc": 1.0550452140917075, "evac": 1.6374153874334227, "efermi": -3.787153044878581, "vbm": -4.292573962323485, "cbm": -3.281732127433677, "minhessianeig": -0.34276656677808653, "dyn_stab": "No", "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.2674423731150455, "dE_zy": -0.30541930800609407, "ehull": 0.02726475687727481, "hform": -0.958187670741439}


unique_id: b0dd8b8fd4131a671c5531e2123b09dd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SeZrZn2Cl4/SeZrZn2Cl4-0873f504eade", "uid": "1SeZrZn2Cl4-1", "olduid": "SeZrZn2Cl4-8ea01d5009e8", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.343209553820035, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.16628788968188846, "hform": -1.1628372999269847}


unique_id: 65c6c0a8272fb035ecf12ba305133c0a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/AsWCl2Br4/AsWCl2Br4-cdbad9f1282d", "uid": "1AsWCl2Br4-1", "olduid": "AsWCl2Br4-37f0382225c9", "international": "C2", "number": 5, "has_inversion_symmetry": false, "lgnum": 10, "layergroup": "c211", "bravais_type": "Centered rectangular (oc)", "thickness": 3.0758467421566777, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.11928148398640437, "hform": -0.4831977492954169}


unique_id: bccfd867960457febacb24644089b456
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/ClIHf2Br4/ClIHf2Br4-dd599bab825b", "uid": "1ClIHf2Br4-1", "olduid": "ClIHf2Br4-ee53324331e5", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.6904218036563954, "label": "Lyngby22_CDVAE", "gap": 0.3868393029364807, "gap_dir": 0.5217395025053216, "gap_dir_nosoc": 0.533043490922083, "evac": 3.085506022548208, "efermi": -4.097732877705223, "vbm": -4.291152529173463, "cbm": -3.904313226236982, "minhessianeig": -2.2559785980082338e-15, "dyn_stab": "Yes", "gap_hse": 1.1464483979901932, "gap_dir_hse": 1.3106213443455639, "efermi_hse": -3.9991199339880708, "vbm_hse": -4.572344132983167, "cbm_hse": -3.425895734992974, "alphax_el": 2.9245952109133153, "alphay_el": 2.278290634678939, "alphaz_el": 0.36298390882964776, "alphax_lat": 0.9963849679554632, "alphax": 3.9209801788687786, "alphay_lat": 1.3849512215536406, "alphay": 3.6632418562325793, "alphaz_lat": 0.032162777362209086, "alphaz": 0.39514668619185683, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -1.2893011998462125}


unique_id: add269528812ef2f34e3857af2e43e93
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/INaS2F4/I2Na2S4F8-858c804fdb52", "uid": "2INaS2F4-1", "olduid": "I2Na2S4F8-ee02fb446ed3", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 4.41357392378489, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.25642639127514366, "hform": -1.24237298343167}


unique_id: 366c0c66a3839cea753224824ecc59b8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/IrNiBr2Cl4/IrNiBr2Cl4-0f88cec0cc42", "uid": "1IrNiBr2Cl4-1", "olduid": "IrNiBr2Cl4-8625e3d8eaf8", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 2.732200615918501, "label": "Lyngby22_CDVAE", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.9470522107055865, "efermi": -6.230037678179421, "minhessianeig": -2.180594946180606e-15, "dyn_stab": "Yes", "alphax_el": 72.78305517740216, "alphay_el": 82.69694117844111, "alphaz_el": 1.3323551122089492, "plasmafrequency_x": 0.6006595309535082, "plasmafrequency_y": 0.7543272922843121, "is_magnetic": true, "spin_axis": "z", "dE_zx": -4.668172069159482, "dE_zy": -0.4161347196713905, "halfmetal_gap": 1.101252390571302, "halfmetal_gap_dir": 1.101252390571302, "halfmetal_gap_hse": 3.1261274741966716, "halfmetal_gap_dir_hse": 3.133513862815004, "ehull": 0.0, "hform": -0.48644484286492773}


