# systems

unique_id: d52410906f761c1242356c7a51b134ea
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/GeTlSe3/GeTlSe3-8e4f9f7ae52e", "uid": "1GeTlSe3-1", "olduid": "GeTlSe3-9b3dc4c10b37", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 0.01448299757890581, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2713666998079468, "hform": -0.051767531713876026}


unique_id: 2d4eb7a9070abd8f6674015cda89fce6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AlGeSe3/Al2Ge2Se6-7d9e37c1c01b", "uid": "2AlGeSe3-1", "olduid": "Al2Ge2Se6-4e13f8ec6a91", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.3004435369889915, "label": "Lyngby22_LDP", "gap": 1.6452203032099417, "gap_dir": 1.6700988762203077, "gap_dir_nosoc": 1.789899348270119, "evac": 2.0414908820911055, "efermi": -5.065227678425947, "vbm": -5.887837830030918, "cbm": -4.242617526820975, "minhessianeig": -1.7324681134942804e-15, "dyn_stab": "Yes", "gap_hse": 2.408309085650762, "gap_dir_hse": 2.4452441803708442, "efermi_hse": -5.166690895231062, "vbm_hse": -6.370845438056443, "cbm_hse": -3.9625363524056807, "alphax_el": 4.8073843007231325, "alphay_el": 4.8080204556541375, "alphaz_el": 0.4147831601953633, "alphax_lat": 3.3130735121383514, "alphax": 8.120457812861485, "alphay_lat": 3.3238811107867927, "alphay": 8.13190156644093, "alphaz_lat": 0.012194426926368516, "alphaz": 0.42697758712173184, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.006680310397493905, "hform": -0.5473913739071847}


unique_id: 82828f13f07b84d3badbbfe8c12fadc7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsOsS3/As2Os2S6-ca95a5c6cbd6", "uid": "2AsOsS3-1", "olduid": "As2Os2S6-f9c8f7eb106e", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 2.610980968118443, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.18626554048513883, "hform": -0.10002601448042299}


unique_id: 9a327435c8eddb6c5fbd9c99c2753cba
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/BiCS3/Bi4C4S12-dc7f51146808", "uid": "4BiCS3-1", "olduid": "Bi4C4S12-738c732ef253", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 5.305406545699306, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4121045165571438, "hform": 0.2270303365159158}


unique_id: b47ba76126150cf4385d488617fdf5e0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NiSO3/Ni2S2O6-7516286d0b54", "uid": "2NiSO3-2", "olduid": "Ni2S2O6-74c221e6aa26", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.9006680940594958, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11455552460403169, "hform": -0.9234329465155569}


unique_id: 222f0e4b1101d02e801b7604a41f5f15
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NiSO3/Ni2S2O6-a37679f23ba1", "uid": "2NiSO3-1", "olduid": "Ni2S2O6-a6fb042221f0", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.524221728332005, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11436895578383499, "hform": -0.9236195153357535}


unique_id: fab68aa0f684ece38192edece2623402
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsHfS3/As2Hf2S6-263635b18164", "uid": "2AsHfS3-1", "olduid": "As2Hf2S6-7179a26db085", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.2497687907505677, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1368180218453853, "hform": -0.8765950679128757}


unique_id: 45f96019e6c2596bf5ff7c0e2081005f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsSiS3/As2Si2S6-d1f1f1c87683", "uid": "2AsSiS3-1", "olduid": "As2Si2S6-addf59de2e8a", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 3.504089619162502, "label": "Lyngby22_LDP", "gap": 2.1813705769676472, "gap_dir": 2.182101917705757, "gap_dir_nosoc": 2.1898205135431814, "evac": 2.9155724840395174, "efermi": -4.651372202618575, "vbm": -5.742057491102399, "cbm": -3.5606869141347506, "minhessianeig": -2.7142304310073284e-16, "dyn_stab": "Yes", "gap_hse": 3.0346323189472146, "gap_dir_hse": 3.085863685927683, "efermi_hse": -4.718133367971598, "vbm_hse": -6.235449527445206, "cbm_hse": -3.200817208497991, "alphax_el": 2.1884511985346298, "alphay_el": 2.458612556840104, "alphaz_el": 0.3583398134747594, "alphax_lat": 0.8893759583944736, "alphax": 3.0778271569291036, "alphay_lat": 1.192151215584241, "alphay": 3.650763772424345, "alphaz_lat": 0.024041710861362323, "alphaz": 0.3823815243361217, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.052424662991634466, "hform": -0.40781443669715356}


unique_id: 31bbe9586716c32b2c454e0090f42579
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Mn4Pb4O12", "uid": "4MnPbO3-1", "olduid": "Mn4Pb4O12-a4091fb78b1d", "international": "P2/c", "number": 13, "has_inversion_symmetry": true, "lgnum": 16, "layergroup": "p2/b11", "bravais_type": "Rectangular (op)", "thickness": 8.037016125661621, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.8443867036688664, "efermi": -5.254259988248358, "dyn_stab": "Unknown", "cod_id": 9008204, "is_magnetic": true, "spin_axis": "z", "dE_zx": -4.0114108596753795, "dE_zy": -3.961002141750214, "ehull": 0.1282325095542342, "hform": -1.333201945835114}


unique_id: 15cd75ca6003eb61edc71a099bca8da9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/BrKS3/Br2K2S6-99f94b531998", "uid": "2BrKS3-1", "olduid": "Br2K2S6-800a36696648", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 8.358309015507123, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5057883397416938, "hform": -0.21079992656992488}


unique_id: a244373982b1328b0c3de484a8979cb0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/CuSiS3/Cu2Si2S6-3e4eb910ee94", "uid": "2CuSiS3-1", "olduid": "Cu2Si2S6-065c1945bfe9", "international": "Pmma", "number": 51, "has_inversion_symmetry": true, "lgnum": 41, "layergroup": "pmma", "bravais_type": "Rectangular (op)", "thickness": 6.604251151145213, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1443646446405169, "hform": -0.34984658693798}


unique_id: ef9e2ae461e48eb8731db7626ddd3b06
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NbNiSe3/Nb2Ni2Se6-1509622e786b", "uid": "2NbNiSe3-1", "olduid": "Nb2Ni2Se6-804274330f24", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.945685860223307, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.098730739435017, "efermi": -5.310969364619405, "minhessianeig": -0.45403582484178284, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02485560069856314, "hform": -0.646485310189479}


unique_id: 938f4d077d33061014b4a1f4592a28b2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/ClNaO3/Cl2Na2O6-d8721b44be21", "uid": "2ClNaO3-1", "olduid": "Cl2Na2O6-1f69f95eee55", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.312433192780508, "label": "Lyngby22_LDP", "gap": 5.17609420431444, "gap_dir": 5.244348549805704, "gap_dir_nosoc": 5.24508263326432, "evac": 1.480046878106589, "efermi": -4.142217178848657, "vbm": -6.730264281005877, "cbm": -1.5541700766914368, "minhessianeig": -0.2765487673757255, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09427851566195855, "hform": -0.6409392890329677}


unique_id: 75814b6727aed8f9693ccfba4c4619ea
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/GeVS3/Ge2V2S6-88fc924783fd", "uid": "2GeVS3-1", "olduid": "Ge2V2S6-ff15948ccebf", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.078213956577395, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.12006781802679604, "hform": -0.5428998504557925}


unique_id: 178cfe95188849ee6bd445ca454ca8f1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/CCsS3/C2Cs2S6-bd55d88a15f0", "uid": "2CCsS3-1", "olduid": "C2Cs2S6-e4cbeb024418", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 7.08168211956915, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2912796836004028, "hform": -0.16294489303643828}


unique_id: 71f5e820a97f7d7eebdfbe6ec5a719b0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/IKO3/I2K2O6-405f7e05fbbf", "uid": "2IKO3-1", "olduid": "I2K2O6-740143e394f9", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.537028689531933, "label": "Lyngby22_LDP", "gap": 3.0705528695425537, "gap_dir": 3.109423325526038, "gap_dir_nosoc": 3.1809687911862676, "evac": 1.61786918603496, "efermi": -4.53666148432837, "vbm": -6.071937919099646, "cbm": -3.001385049557093, "minhessianeig": -0.12685960788212383, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04562328782377421, "hform": -0.784730717199384}


unique_id: ad23d250ce614acebd615349a0f2e5c9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/PSiO3/P2Si2O6-b041afbbf0b6", "uid": "2PSiO3-1", "olduid": "P2Si2O6-18d21a2c94f9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.433389339928606, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5143746685557403, "hform": -1.71427468405562}


unique_id: f8f523e37fd458a25053cefc459969ab
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/PtSO3/Pt2S2O6-5f1c9ebd46e1", "uid": "2PtSO3-1", "olduid": "Pt2S2O6-1eb8c8cda495", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.591376207140053, "label": "Lyngby22_LDP", "gap": 1.4557544319653943, "gap_dir": 1.5088213244920947, "gap_dir_nosoc": 1.7092484100549243, "evac": 1.5381356910651094, "efermi": -4.623635837751622, "vbm": -5.351513053734319, "cbm": -3.895758621768925, "minhessianeig": -3.1203059107416026e-15, "dyn_stab": "Yes", "gap_hse": 2.976118585189819, "gap_dir_hse": 3.0474853302236538, "efermi_hse": -4.917083101267397, "vbm_hse": -6.405142393862307, "cbm_hse": -3.429023808672488, "alphax_el": 1.623173528907346, "alphay_el": 1.797099424236223, "alphaz_el": 0.29794619493202334, "alphax_lat": 1.2372518731375313, "alphax": 2.860425402044877, "alphay_lat": 0.42455969383721365, "alphay": 2.2216591180734366, "alphaz_lat": 0.035938927313051046, "alphaz": 0.3338851222450744, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07211909337665076, "hform": -0.7649307723239573}


unique_id: 414d435e1c24494cfe982d29b489bd13
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/PtSO3/Pt2S2O6-7adebe878072", "uid": "2PtSO3-2", "olduid": "Pt2S2O6-606fb68713c5", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.225783988858202, "label": "Lyngby22_LDP", "gap": 0.8601001448529266, "gap_dir": 0.8601001448529266, "gap_dir_nosoc": 1.007881432661252, "evac": 1.6895427773773868, "efermi": -4.53996588819165, "vbm": -4.970015960618113, "cbm": -4.109915815765186, "minhessianeig": -7.202509485958881e-15, "dyn_stab": "Yes", "gap_hse": 2.323983253337028, "gap_dir_hse": 2.323983253337028, "efermi_hse": -4.86715988232016, "vbm_hse": -6.029151508988674, "cbm_hse": -3.705168255651646, "alphax_el": 1.9719171342913613, "alphay_el": 1.958159437596285, "alphaz_el": 0.3444820637994705, "alphax_lat": 1.0620979857737656, "alphax": 3.034015120065127, "alphay_lat": 1.1030490573662928, "alphay": 3.0612084949625777, "alphaz_lat": 0.029583713293519904, "alphaz": 0.3740657770929904, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.08673279420191875, "hform": -0.7503170714986893}


unique_id: dd03cd9dcaa0a4fad7accc0de1bb389f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NbNiTe3/Nb2Ni2Te6-eeb0913b13de", "uid": "2NbNiTe3-1", "olduid": "Nb2Ni2Te6-b5a89d252989", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.480504391388397, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.352375033802373, "efermi": -4.703584259705725, "minhessianeig": -1.2895295350448441e-13, "dyn_stab": "Yes", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04284835621177017, "hform": -0.37524684937261127}


unique_id: e2ad5ec816bae0ec59996406a6ff52fd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsPbSe3/As2Pb2Se6-4ee56fc5ff8c", "uid": "2AsPbSe3-1", "olduid": "As2Pb2Se6-201a4ee8e873", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.85164875041053, "label": "Lyngby22_LDP", "gap": 0.667839870001339, "gap_dir": 0.759462168073542, "gap_dir_nosoc": 0.8306197339275139, "evac": 3.51744046447789, "efermi": -5.433667351844415, "vbm": -5.767587286845085, "cbm": -5.099747416843746, "minhessianeig": -0.29322142076961377, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0763611042354098, "hform": -0.2151327828400902}


unique_id: 5212a43a697898a18743c57d2b97402a
username: cmr
calculator: unknown
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  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD2/ISTeHf2/ISTeHf2-140df2ae9f94", "uid": "1ISTeHf2-1", "olduid": "ISTeHf2-1c89c09647bf", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 6.370976518033353, "label": "Lyngby22_CDVAE", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.632238502679131, "efermi": -3.937652669361387, "minhessianeig": -1.0821027468526838, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06268023716282674, "hform": -0.9893466077483601}


