# systems

unique_id: e73583c27fe2397ea171e83d8fe0ea52
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/OsTe/Os2Te2-fac9d30d7b11", "uid": "2OsTe-5", "olduid": "Os2Te2-fac9d30d7b11", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.141141005956298, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.313545742268812, "efermi": -4.214710515421891, "minhessianeig": -1.1299502794129204, "dyn_stab": "No", "alphax_el": 20.26744582034167, "alphay_el": 20.267445820341663, "alphaz_el": 0.7229415353723027, "plasmafrequency_x": 7.551400267517197, "plasmafrequency_y": 7.551400267517197, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.7730343331880745, "hform": 0.7197569310924425}


unique_id: a4439ac10792a220a52aa3efc15bbff1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FLi/F6Li6-9b7b511fe73b", "uid": "6FLi-1", "olduid": "F6Li6-84cbe9e3b517", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 4.260104777804518, "label": "Wang23", "gap": 6.8039105429025835, "gap_dir": 6.961981526351586, "gap_dir_nosoc": 6.981850628365201, "evac": 2.2988084865593033, "efermi": -4.192435292563725, "vbm": -7.594390564015017, "cbm": -0.7904800211124332, "minhessianeig": -7.304721241374672e-15, "dyn_stab": "Yes", "gap_hse": 8.825406810873499, "gap_dir_hse": 8.983364016762945, "efermi_hse": -5.051924590969613, "vbm_hse": -9.464627996406364, "cbm_hse": -0.6392211855328642, "alphax_el": 0.484535020362984, "alphay_el": 0.48440146809934215, "alphaz_el": 0.2644690964484317, "alphax_lat": 2.244645889314958, "alphax": 2.729180909677942, "alphay_lat": 2.2144828586724867, "alphay": 2.6988843267718288, "alphaz_lat": 0.3644546146734723, "alphaz": 0.6289237111219039, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03250107158696439, "hform": -2.993866272297856}


unique_id: 2dab9fa5d75fc831008d59a408f7330c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FLi/F6Li6-ee82ffa4c09f", "uid": "6FLi-2", "olduid": "F6Li6-3369acd6b26c", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.9862919412028655, "label": "Wang23", "gap": 6.642434306250129, "gap_dir": 6.752545786169284, "gap_dir_nosoc": 6.756080029719536, "evac": 1.536372491905826, "efermi": -4.382755636391037, "vbm": -7.703972789516101, "cbm": -1.0615384832659727, "minhessianeig": -0.05605888856486718, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07821079829628157, "hform": -2.948156545588539}


unique_id: 6b406929c7aab4ac354b3ac1b6b348b8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 3f230dd54cd64544678ac6502f4a8e95
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgBr/Ag5Br5-f3b08e5f499b", "uid": "5AgBr-1", "olduid": "Ag5Br5-72c7f002e2a6", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.8969660577307765, "label": "Wang23", "gap": 1.7902777969765633, "gap_dir": 1.7902777969765633, "gap_dir_nosoc": 1.8429990721982632, "evac": 2.4739975776782517, "efermi": -5.1540382532879105, "vbm": -6.049177151776192, "cbm": -4.258899354799629, "minhessianeig": -0.12455306154672058, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02103888749816729, "hform": -0.326407796658291}


unique_id: 1d6844248ca448bc2d9fa902d8e462b4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag3I3-c0b75601eb47", "uid": "3AgI-1", "olduid": "Ag3I3-08546c439a89", "international": "P2", "number": 3, "has_inversion_symmetry": false, "lgnum": 8, "layergroup": "p211", "bravais_type": "Rectangular (op)", "thickness": 4.670962549279952, "label": "Wang23", "gap": 2.0879320634402703, "gap_dir": 2.106321921272162, "gap_dir_nosoc": 2.1599063364498496, "evac": 2.586785522168193, "efermi": -4.689255387825272, "vbm": -5.733221419545407, "cbm": -3.6452893561051365, "minhessianeig": -0.18161867594470962, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06142633217476464, "hform": -0.2074849437572146}


unique_id: 8c9040fbd733c2b10e17c370b35b7a22
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/AgI/Ag3I3-834c192a1a12", "uid": "3AgI-2", "olduid": "Ag3I3-fd7f4473540d", "international": "P2", "number": 3, "has_inversion_symmetry": false, "lgnum": 8, "layergroup": "p211", "bravais_type": "Rectangular (op)", "thickness": 5.454995807603953, "label": "Wang23", "gap": 1.7479883266884106, "gap_dir": 2.082332024563793, "gap_dir_nosoc": 2.1582070021384174, "evac": 2.732424453309389, "efermi": -4.617154171953429, "vbm": -5.491148335297634, "cbm": -3.743160008609223, "minhessianeig": -0.10492053718173926, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06361524185209604, "hform": -0.2052960340798832}


unique_id: 143cbd76ecbe1ef99da3dcdf22523ecc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Bi2In2", "uid": "2BiIn-1", "olduid": "Bi2In2-9bc00588f556", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.9144897268471155, "label": "exfoliated02-21", "gap": 0.03717174432881709, "gap_dir": 0.19595769099397486, "gap_dir_nosoc": 0.0, "evac": 1.7188004974459936, "efermi": -3.8881249221154213, "vbm": -3.90671079427983, "cbm": -3.8695390499510127, "minhessianeig": 1.3719931932771108e-14, "dyn_stab": "Yes", "gap_hse": 0.13783344806868847, "gap_dir_hse": 0.18100358697091412, "efermi_hse": -4.030817861760903, "vbm_hse": -4.099734585795248, "cbm_hse": -3.961901137726559, "alphax_el": 599.0359075101976, "alphay_el": 599.035907510197, "alphaz_el": 0.49950485753294127, "alphax_lat": 1586.4046934445269, "alphax": 2185.4406009547247, "alphay_lat": 8870.491970657242, "alphay": 9469.527878167439, "alphaz_lat": 3.9178529770811045e-05, "alphaz": 0.4995440360627121, "plasmafrequency_x": 7.012918917726644, "plasmafrequency_y": 7.012918917726644, "cod_id": 1527695, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.0939139082897098, "hform": 0.09234428099581748}


unique_id: 6a712645fbaae7893be339f71739d724
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BSb/BSb-71730c0eaab1", "uid": "1BSb-1", "olduid": "BSb-71730c0eaab1", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.398081733190338e-14, "label": "original03-18", "gap": 0.3139642674653609, "gap_dir": 0.31396426746536665, "gap_dir_nosoc": 0.32433643528214384, "evac": 2.414825160345119, "efermi": -4.345211553114479, "vbm": -4.502193686847159, "cbm": -4.188229419381798, "minhessianeig": -2.6013820505450376e-12, "dyn_stab": "Yes", "gap_hse": 0.5513885378099415, "gap_dir_hse": 0.5513885378099415, "efermi_hse": -4.335305868072211, "vbm_hse": -4.608183332214111, "cbm_hse": -4.056794794404169, "gap_gw": 0.6345497795653061, "gap_dir_gw": 0.6345497795653061, "efermi_gw": -4.6157054329612786, "vbm_gw": -4.933664612477946, "cbm_gw": -4.29911483291264, "E_B": 0.30029515689851644, "alphax_el": 11.852191540518874, "alphay_el": 11.852191540518874, "alphaz_el": 0.2279365105538451, "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": 0.8062554366369881, "hform": 0.8062554366369881}


unique_id: 8244bf7a4546c97bead97145fe112485
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CsI/Cs2I2-1d7f2ad54c24", "uid": "2CsI-1", "olduid": "Cs2I2-4b9ee342ce5e", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 1.2309671803657167, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1344488228991243, "hform": -1.4511235241700084}


unique_id: a7de1584f3d3f3801a568354abe0bcfa
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrSn/Br2Sn2-00c809eb48fe", "uid": "2BrSn-2", "olduid": "Br2Sn2-00c809eb48fe", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.68686085111016, "label": "original03-18", "gap": 0.034776460562614187, "gap_dir": 0.18572646234024343, "gap_dir_nosoc": 0.0, "evac": 4.126728495478053, "efermi": -4.56235921744273, "vbm": -4.579747447724038, "cbm": -4.544970987161424, "minhessianeig": -2.1016594612887816, "dyn_stab": "No", "alphax_el": 44.386982559328835, "alphay_el": 44.55741059734209, "alphaz_el": 0.573470432411894, "plasmafrequency_x": 3.80559534590376, "plasmafrequency_y": 3.871864311023377, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.34754136385456524, "hform": -0.2505117510304862}


unique_id: e463aa87735a3ce83c82234d84ffc760
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrSn/Br2Sn2-52665ce1b3ba", "uid": "2BrSn-1", "olduid": "Br2Sn2-52665ce1b3ba", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 4.83035878174706, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5618000387447406, "efermi": -6.198758262177688, "minhessianeig": -2.4160814555974297, "dyn_stab": "No", "plasmafrequency_x": 9.850153516646278, "plasmafrequency_y": 9.850153516646296, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3470248894778263, "hform": -0.25102822540722514}


unique_id: 33e0dab8bfd932e6d6a0b4ccf4c2b0fe
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/GaN/GaN-c973e283b023", "uid": "1GaN-1", "olduid": "GaN-c973e283b023", "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": 1.8765379810832648, "gap_dir": 2.365262023412513, "gap_dir_nosoc": 2.382394970650768, "evac": 1.896283955500494, "efermi": -4.380887064911872, "vbm": -5.3191560554535045, "cbm": -3.4426180743702393, "minhessianeig": -3.049737593876529e-11, "dyn_stab": "Yes", "gap_hse": 3.0896707238041126, "gap_dir_hse": 3.481245312547073, "efermi_hse": -4.167413553429379, "vbm_hse": -6.227194035807389, "cbm_hse": -3.1375233120032764, "gap_gw": 4.465219885174571, "gap_dir_gw": 5.018760128310622, "efermi_gw": -4.667122825396349, "vbm_gw": -6.899732767983634, "cbm_gw": -2.4345128828090625, "E_B": 1.1206800793719411, "alphax_el": 1.3727340933888093, "alphay_el": 1.3727340933888104, "alphaz_el": 0.19173773684795198, "alphax_lat": 0.6607744021310726, "alphax": 2.033508495519882, "alphay_lat": 0.6607272114009424, "alphay": 2.0334613047897525, "alphaz_lat": 0.07739198063176035, "alphaz": 0.2691297174797123, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "icsd_id": 159250, "doi": "10.1038/nmat4742", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4162454216340503, "hform": -0.003085071472401779}


unique_id: 614747ab9190df5580693af0bcc9ab3a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 6de0de21995d8a4fa4b7c01ada2b195e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/HRu/H2Ru2-a9055c498e9c", "uid": "2HRu-2", "olduid": "H2Ru2-f24bdb7ac022", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.340669049106601, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4775035478191514, "hform": 0.4775035478191514}


unique_id: 81016126aa4dc3fca9e26791a03f2559
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: fccd7ab5ff568a78e9593f37ff316e3f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClTl/Cl12Tl12-63d2ff0673ea", "uid": "12ClTl-1", "olduid": "Cl12Tl12-7c8c9e03100b", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 6.615903233916894, "label": "Wang23", "gap": 2.9939228401369364, "gap_dir": 2.9939228401369364, "gap_dir_nosoc": 3.315916907409039, "evac": 1.9387374189146573, "efermi": -4.1052337513327934, "vbm": -5.602195171401261, "cbm": -2.6082723312643252, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.069374362678481, "hform": -0.9548285076875883}


unique_id: 590b060ac5afae0c79fc7d9414e07336
username: cmr
calculator: unknown
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