# systems

unique_id: cb4374bc77391ff6af0d02fdead0215b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB3C8/ZrHf3S8/ZrHf3S8-5e3f120ea591", "uid": "1ZrHf3S8-1", "olduid": "ZrHf3S8-c2da921ba360", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.89916108238177, "label": "Lyngby22_CDVAE", "gap": 1.1629922110162703, "gap_dir": 1.1629922110162703, "gap_dir_nosoc": 1.2464150601601383, "evac": 3.7439841984145064, "efermi": -5.775569230530366, "vbm": -6.357065336038501, "cbm": -5.194073125022231, "minhessianeig": -2.76722351629762e-15, "dyn_stab": "Yes", "gap_hse": 2.128170304407356, "gap_dir_hse": 2.128170304407356, "efermi_hse": -5.844870081361883, "vbm_hse": -6.90895523356556, "cbm_hse": -4.780784929158204, "alphax_el": 3.809864639124348, "alphay_el": 3.808133340463858, "alphaz_el": 0.33772312322191517, "alphax_lat": 16.061881999190515, "alphax": 19.871746638314864, "alphay_lat": 16.152698184784587, "alphay": 19.960831525248445, "alphaz_lat": 0.024252731060644902, "alphaz": 0.36197585428256007, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 5.921189464667501e-16, "hform": -1.593748277394204}


unique_id: eaaa86046a6bd2e3fe3c6a8bfede6ece
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/ZrTi3Te8/ZrTi3Te8-099b15e60b07", "uid": "1ZrTi3Te8-1", "olduid": "ZrTi3Te8-099b15e60b07", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.646769778850853, "label": "original03-18", "gap": 0.08036429967049719, "gap_dir": 0.0997121137080188, "gap_dir_nosoc": 0.2356309404064123, "evac": 4.137777890949094, "efermi": -5.1807473647961935, "vbm": -5.220929514631441, "cbm": -5.140565214960945, "minhessianeig": -9.21776623734447e-16, "dyn_stab": "Yes", "gap_hse": 0.7224235271535047, "gap_dir_hse": 0.7505164741689252, "efermi_hse": -4.939381505855694, "vbm_hse": -5.274262395861667, "cbm_hse": -4.551838868708163, "alphax_el": 13.830534695452915, "alphay_el": 14.061735067724358, "alphaz_el": 0.4632630264721566, "alphax_lat": 6.5334597262292835, "alphax": 20.3639944216822, "alphay_lat": 6.385906317698699, "alphay": 20.447641385423058, "alphaz_lat": 0.010301994036452938, "alphaz": 0.47356502050860955, "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": 0.11436352926698816, "hform": -0.6345756462048543}


unique_id: e0c657223a5488d1ac98016818fa2be8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/ZrHf3Te8/ZrHf3Te8-3663f526cdf1", "uid": "1ZrHf3Te8-1", "olduid": "ZrHf3Te8-3663f526cdf1", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.7096103079024125, "label": "original03-18", "gap": 0.14230300813076624, "gap_dir": 0.18755271324996658, "gap_dir_nosoc": 0.3885549905798108, "evac": 4.1832784556236895, "efermi": -5.1964813174023945, "vbm": -5.267632821467777, "cbm": -5.125329813337011, "minhessianeig": -2.0284933620280748e-15, "dyn_stab": "Yes", "gap_hse": 0.6895972346209, "gap_dir_hse": 0.7283760162221515, "efermi_hse": -5.223836479528661, "vbm_hse": -5.534059682478484, "cbm_hse": -4.844462447857584, "alphax_el": 9.00740363135157, "alphay_el": 9.092179944814035, "alphaz_el": 0.4591008567624628, "alphax_lat": 4.780722300114229, "alphax": 13.7881259314658, "alphay_lat": 4.832843251280508, "alphay": 13.925023196094543, "alphaz_lat": 0.01495618883163069, "alphaz": 0.4740570455940935, "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": 0.12712292227826394, "hform": -0.720246877076228}


unique_id: e1dce5c28fa7e25dad0d87ef77b11676
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB3C8/GeIn3F8/GeIn3F8-ada74e1c2290", "uid": "1GeIn3F8-1", "olduid": "GeIn3F8-239196a0c688", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 4.127435759570575, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.12108338767372769, "hform": -2.215102602117163}


unique_id: 87fccffb6397f34374e416a049d9ed5f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/HfZr3S8/HfZr3S8-78bb1ac31c01", "uid": "1HfZr3S8-1", "olduid": "HfZr3S8-78bb1ac31c01", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.2692791122590776, "label": "original03-18", "gap": 1.1535503527525826, "gap_dir": 1.1922972307664323, "gap_dir_nosoc": 1.224468139372129, "evac": 3.9260057760384175, "efermi": -6.305613084865524, "vbm": -6.882388261241815, "cbm": -5.728837908489233, "minhessianeig": 1.6152196965836788e-16, "dyn_stab": "Yes", "gap_hse": 2.1575132780424737, "gap_dir_hse": 2.2249632284110237, "efermi_hse": -6.41328841214338, "vbm_hse": -7.502470348860485, "cbm_hse": -5.344957070818012, "alphax_el": 3.744813034170205, "alphay_el": 3.6439873635157025, "alphaz_el": 0.3671951948457539, "alphax_lat": 2.849456068256904, "alphax": 6.594269102427109, "alphay_lat": 2.7457297548636093, "alphay": 6.389717118379312, "alphaz_lat": 0.022078146151221167, "alphaz": 0.3892733409969751, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 600.352268041343, "ehull": 0.19414964799591358, "hform": -1.394094095467126}


unique_id: dc883812ce1cd822f51fefadb0a2f073
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/HfZr3Te8/HfZr3Te8-916e19eae465", "uid": "1HfZr3Te8-1", "olduid": "HfZr3Te8-916e19eae465", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.727855755633917, "label": "original03-18", "gap": 0.21331606820627202, "gap_dir": 0.2529682274110824, "gap_dir_nosoc": 0.4448176430850367, "evac": 4.163363836142468, "efermi": -5.251370974926057, "vbm": -5.358029009029193, "cbm": -5.14471294082292, "minhessianeig": -3.618888903819813e-15, "dyn_stab": "Yes", "gap_hse": 0.7658349537109039, "gap_dir_hse": 0.7971484184131842, "efermi_hse": -5.244797849611075, "vbm_hse": -5.593987157926983, "cbm_hse": -4.828152204216079, "alphax_el": 9.6690754059072, "alphay_el": 9.769069201474094, "alphaz_el": 0.4646908377792057, "alphax_lat": 5.08422902274946, "alphax": 14.75330442865666, "alphay_lat": 5.163636021625662, "alphay": 14.932705223099756, "alphaz_lat": 0.016025753445734925, "alphaz": 0.48071659122494065, "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": 0.11545381657390748, "hform": -0.7647641878076771}


unique_id: 1a0fade37696ad17ac85c532545aa2b5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/MoW3Te8/MoW3Te8-5c3fe56a1a89", "uid": "1MoW3Te8-1", "olduid": "MoW3Te8-5c3fe56a1a89", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.6216253413706703, "label": "original03-18", "gap": 0.804370300292508, "gap_dir": 0.80437030029251, "gap_dir_nosoc": 1.0772507730165577, "evac": 4.811501809734475, "efermi": -4.108991675941607, "vbm": -4.511176826087862, "cbm": -3.7068065257953533, "minhessianeig": -7.863422204659028e-15, "dyn_stab": "Yes", "gap_hse": 1.219551685297682, "gap_dir_hse": 1.219551685297682, "efermi_hse": -3.983739531907575, "vbm_hse": -4.578626259514621, "cbm_hse": -3.359074574216939, "alphax_el": 9.033096952785572, "alphay_el": 8.978567098350318, "alphaz_el": 0.4671882528621472, "alphax_lat": 0.7301364773881976, "alphax": 9.76323343017377, "alphay_lat": 0.7356701316507477, "alphay": 9.714237230001066, "alphaz_lat": 0.002917830371408534, "alphaz": 0.47010608323355574, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0181521338536396, "hform": -0.1588040820541714}


unique_id: 26ba66449177254f1d3de069ce4b512e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB3C8/ZrHf3O8/ZrHf3O8-dd567b27de17", "uid": "1ZrHf3O8-2", "olduid": "ZrHf3O8-cf69111a13d3", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 4.228133743782418, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4039051872846346, "hform": -3.112662298610337}


unique_id: 65fa8fcd0d265cca273fb846c9a3f097
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB3C8/ZrHf3O8/ZrHf3O8-f3a91868ecc9", "uid": "1ZrHf3O8-1", "olduid": "ZrHf3O8-690bba013645", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.9479494061285756, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.20974528900178888, "hform": -3.306822196893183}


unique_id: a787e5ac34c6a5e6cfcecca7151bbf7a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB3C8/NbZr3Br8/NbZr3Br8-75bb8148cd1a", "uid": "1NbZr3Br8-1", "olduid": "NbZr3Br8-8b6af2b37ffa", "international": "Cmmm", "number": 65, "has_inversion_symmetry": true, "lgnum": 47, "layergroup": "cmmm", "bravais_type": "Centered rectangular (oc)", "thickness": 3.2884734386109287, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.3708217580526276, "hform": -0.9221830902479446}


unique_id: e81207f383c0d8daaf1c316040edac11
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB3C8/HfGe3O8/HfGe3O8-8a3882a3fa05", "uid": "1HfGe3O8-1", "olduid": "HfGe3O8-158114b73916", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.9726019813132325, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.21849352954526116, "hform": -1.9028904452159392}


unique_id: 910416ad92094ed65c3f2c1b0306d8a6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/MoW3Se8/MoW3Se8-24d6cc0a0fed", "uid": "1MoW3Se8-1", "olduid": "MoW3Se8-24d6cc0a0fed", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.3523022458763982, "label": "original03-18", "gap": 1.257610391250017, "gap_dir": 1.2576103912500187, "gap_dir_nosoc": 1.5027443923140322, "evac": 4.660778404324461, "efermi": -4.321199361033194, "vbm": -4.950004556658202, "cbm": -3.692394165408185, "minhessianeig": -2.541756381618526e-15, "dyn_stab": "Yes", "gap_hse": 1.7486238144791284, "gap_dir_hse": 1.7486238144791284, "efermi_hse": -4.228570821860795, "vbm_hse": -5.072779394749577, "cbm_hse": -3.3241555802704488, "alphax_el": 6.778868848375135, "alphay_el": 6.732666026194918, "alphaz_el": 0.4117628121612529, "alphax_lat": 0.18227525892922936, "alphax": 6.961144107304364, "alphay_lat": 0.18346302469740342, "alphay": 6.916129050892322, "alphaz_lat": 0.0009945381610211544, "alphaz": 0.412757350322274, "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": -0.6245835344901778}


unique_id: 4c68071ea5f4be5b8ad2b0fe864d47be
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/ZrTi3S8/ZrTi3S8-e6e376c80c43", "uid": "1ZrTi3S8-1", "olduid": "ZrTi3S8-e6e376c80c43", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.1592029676731688, "label": "original03-18", "gap": 0.8489842306298394, "gap_dir": 0.9075142136700223, "gap_dir_nosoc": 0.9211396089981485, "evac": 3.8684226688650316, "efermi": -6.324320134086583, "vbm": -6.748812249401503, "cbm": -5.899828018771663, "minhessianeig": -0.023869618483700145, "dyn_stab": "No", "gap_hse": 2.094989713048994, "gap_dir_hse": 2.210103659453228, "efermi_hse": -6.251188942449653, "vbm_hse": -7.318435455354666, "cbm_hse": -5.223445742305672, "alphax_el": 5.051148699803139, "alphay_el": 4.914350983294405, "alphaz_el": 0.36641836359891866, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.16308964153465175, "hform": -1.215078329403345}


unique_id: d318fd23bbbc60014d8b5113c77b9767
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 20f3e7722eb813e8324beb83683d2137
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: b312416d56e5a9805519944b4ce16b7e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB3C8/WMo3Te8/WMo3Te8-323fb700d903", "uid": "1WMo3Te8-1", "olduid": "WMo3Te8-323fb700d903", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.61402932588112, "label": "original03-18", "gap": 0.8995266338741364, "gap_dir": 0.899526633874139, "gap_dir_nosoc": 1.0723097619033677, "evac": 4.769185003782468, "efermi": -4.234696787766052, "vbm": -4.68446010470312, "cbm": -3.7849334708289835, "minhessianeig": -4.715462948009618e-15, "dyn_stab": "Yes", "gap_hse": 1.3263473006179833, "gap_dir_hse": 1.3263473006179833, "efermi_hse": -4.087075792455677, "vbm_hse": -4.733540229784078, "cbm_hse": -3.4071929291660945, "alphax_el": 9.346814064142947, "alphay_el": 9.276566891394927, "alphaz_el": 0.4672094118433496, "alphax_lat": 0.9386311462404857, "alphax": 10.285445210383433, "alphay_lat": 0.9451906757527269, "alphay": 10.221757567147653, "alphaz_lat": 0.0033778330750220465, "alphaz": 0.4705872449183716, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.004937149984171718, "hform": -0.2543971616311029}


unique_id: fa3271634e195d074dfc30e51a969f71
username: cmr
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unique_id: ea6874da2bafb7cf55972e769641283f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 90090e57c2bfd0e0bf5dffe241239db8
username: cmr
calculator: unknown
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key_value_pairs:
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unique_id: 7585df9b504eb0397460bafdaa00ccf1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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