# systems

unique_id: 886ffcd8a37fe497c0e0f126907ccd3a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsSiTe3/As2Si2Te6-a554afdabeaa", "uid": "2AsSiTe3-2", "olduid": "As2Si2Te6-58d9845e5319", "international": "P-3", "number": 147, "has_inversion_symmetry": true, "lgnum": 66, "layergroup": "p-3", "bravais_type": "Hexagonal (hp)", "thickness": 3.5775468502126726, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.19251454430160475, "hform": 0.15266756887852181}


unique_id: 917d9335815c7f3815eb407cad1d7e1f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/SbSiO3/Sb2Si2O6-1734ac0c6cb9", "uid": "2SbSiO3-1", "olduid": "Sb2Si2O6-2783046f7bc8", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.1130930443238816, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4058256176649643, "hform": -1.7006098374116179}


unique_id: 4cf9eba6a1c652849d8530b96787faef
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/GeZnS3/Ge2Zn2S6-e1bdb15d4955", "uid": "2GeZnS3-1", "olduid": "Ge2Zn2S6-c7d409b8381d", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 2.9238650919267286, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.18940799251080076, "hform": -0.3501732853831257}


unique_id: 4882f59b55b287cbfeb13d227f9661a1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/ABC3/AuCuI3/Au2Cu2I6-aed72c638336", "uid": "2AuCuI3-1", "olduid": "Au2Cu2I6-a01a880d8590", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.449884591991018, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.412027187115072, "efermi": -5.429004417625303, "minhessianeig": -0.7374053109243731, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07318329266846979, "hform": -0.04342457968516271}


unique_id: d318ecc5526ca3c428a49aafca3ad513
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/ABC3/CrPTe3/Cr2P2Te6-bce7601d1341", "uid": "2CrPTe3-1", "olduid": "Cr2P2Te6-bce7601d1341", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.3474736157076856, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.919056955224055, "efermi": -4.3278972973298355, "minhessianeig": -0.35323537890177586, "dyn_stab": "No", "alphax_el": 19.246824171669157, "alphay_el": 19.735447931578317, "alphaz_el": 0.6588677513373435, "plasmafrequency_x": 4.172000857136549, "plasmafrequency_y": 4.194025662349449, "is_magnetic": true, "spin_axis": "x", "dE_zx": 2.7462778912195063, "dE_zy": 2.727967231294315, "J": 19.294924851903016, "lam": 0.34672833874083153, "A": -1.7125057999294313, "spin": 1.5, "N_nn": 3, "ehull": 0.14908786737943594, "hform": -0.06806971264244907}


unique_id: d3a4eca9650cf8a7a5530e32242b48e0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/SbTiS3/Sb2Ti2S6-6695b84d0f17", "uid": "2SbTiS3-1", "olduid": "Sb2Ti2S6-86f39c399a17", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.0990546445210088, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14052904375729974, "hform": -0.7368301752726147}


unique_id: 90c76949755df76898983fe7ae4425c8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AlInO3/Al2In2O6-30ae721511cf", "uid": "2AlInO3-1", "olduid": "Al2In2O6-b0525a3469d1", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 5.612205122145392, "label": "Lyngby22_LDP", "gap": 2.837893987307134, "gap_dir": 2.911739045854909, "gap_dir_nosoc": 2.9130830434073123, "evac": 2.2966631913333315, "efermi": -6.0770380462031905, "vbm": -7.495985039856757, "cbm": -4.658091052549624, "minhessianeig": -7.635830784419898e-12, "dyn_stab": "Yes", "gap_hse": 4.391966049821173, "gap_dir_hse": 4.429987413901323, "efermi_hse": -6.617747699570197, "vbm_hse": -8.813730724480783, "cbm_hse": -4.42176467465961, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09571031510143727, "hform": -2.210418358606122}


unique_id: 5fb2344bc6aec224aa18564398e6f52b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsMoSe3/As2Mo2Se6-5e6ce6c7b02a", "uid": "2AsMoSe3-1", "olduid": "As2Mo2Se6-cde3150e13c6", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.680377891172343, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.24585190792449563, "hform": -0.2178035514662156}


unique_id: 91d4079a840900be90b9cfc4ccab38e5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsCuO3/As2Cu2O6-88ab7351dbfe", "uid": "2AsCuO3-1", "olduid": "As2Cu2O6-f953556e3acf", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.2482339072970685, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.26849120726967185, "hform": -0.6554938531637589}


unique_id: a9bf0f72009313c9aabc4c126654e33e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsCuO3/As2Cu2O6-e85c141f34c7", "uid": "2AsCuO3-2", "olduid": "As2Cu2O6-c3e75155518b", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 2.763868874747943, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.34704793555681307, "hform": -0.5769371248766177}


unique_id: 399f8729d782b20e7e1e748c5eee45d3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/ABC3/CaCuCl3/Ca2Cu2Cl6-e80355fbef18", "uid": "2CaCuCl3-1", "olduid": "Ca2Cu2Cl6-ad8d45a67280", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.086210048789063, "label": "Wang23", "gap": 2.7176596445934686, "gap_dir": 2.7176596445934686, "gap_dir_nosoc": 2.800387683750343, "evac": 2.872250311858351, "efermi": -4.452029579723751, "vbm": -5.810859402020485, "cbm": -3.0931997574270165, "minhessianeig": -7.676677597061122e-16, "dyn_stab": "Yes", "gap_hse": 5.028109040266672, "gap_dir_hse": 5.028109040266672, "efermi_hse": -5.303297429802116, "vbm_hse": -7.8173519499354525, "cbm_hse": -2.78924290966878, "alphax_el": 1.0797109259644124, "alphay_el": 1.0803525861744114, "alphaz_el": 0.30996145939294983, "alphax_lat": 1.468686119169618, "alphax": 2.5483970451340303, "alphay_lat": 1.4713710432783815, "alphay": 2.551723629452793, "alphaz_lat": 0.07845984327354985, "alphaz": 0.38842130266649966, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.021909963679063792, "hform": -1.6173367278472004}


unique_id: c8623e934f7e0d10dd5cb963541631ad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsScTe3/As2Sc2Te6-0aedfafe31e8", "uid": "2AsScTe3-1", "olduid": "As2Sc2Te6-b34d5f107278", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.8257099250805178, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.89814946429666, "efermi": -4.670031447551252, "minhessianeig": -0.043551736387361005, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07581206799028095, "hform": -0.5494467924822388}


unique_id: f0d43008b44bbe108e69ab0fda2441fb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsScTe3/As2Sc2Te6-34cb0b63b7b9", "uid": "2AsScTe3-2", "olduid": "As2Sc2Te6-c8b822ce420d", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.709965867798032, "label": "Lyngby22_LDP", "gap": 0.10034764247836325, "gap_dir": 0.3495418614868562, "gap_dir_nosoc": 0.4422304638049932, "evac": 3.681284238055491, "efermi": -4.548782819893812, "vbm": -4.598956641132993, "cbm": -4.49860899865463, "minhessianeig": 1.016367913652783e-15, "dyn_stab": "Yes", "gap_hse": 0.33194163709707314, "gap_dir_hse": 0.6176864685126684, "efermi_hse": -4.502709214408982, "vbm_hse": -4.6686800329575195, "cbm_hse": -4.336738395860446, "alphax_el": 10.023451106679092, "alphay_el": 10.028836918747093, "alphaz_el": 0.4590766468643239, "alphax_lat": 5.564947113014761, "alphax": 15.588398219693854, "alphay_lat": 5.524860516319418, "alphay": 15.55369743506651, "alphaz_lat": 0.010903390224523612, "alphaz": 0.46998003708884756, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07651435821002081, "hform": -0.5487445022624989}


unique_id: a1e73e564b692b40f2e1e5381217f419
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/ABC3/AgFeI3/Ag2Fe2I6-bcb01d0035f5", "uid": "2AgFeI3-1", "olduid": "Ag2Fe2I6-15b81b79b3ad", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.5348384952623917, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.253274893235119, "efermi": -5.353843898381684, "dyn_stab": "Unknown", "is_magnetic": true, "spin_axis": "y", "dE_zx": 2.0744169355566555, "dE_zy": 2.0817509284825064, "ehull": 0.03057879076558463, "hform": -0.1489278729123356}


unique_id: 9ac13a9f0cb44fd29d9a94bdea3e297a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsZnO3/As2Zn2O6-6b42f73a527e", "uid": "2AsZnO3-1", "olduid": "As2Zn2O6-9b6e8359aee8", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 2.744890127835691, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3510039468332963, "hform": -0.9906329334588555}


unique_id: 90fc6054d581f598cc52cbdc6d0e283b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NiPO3/NiPO3-67991d103bcc", "uid": "1NiPO3-1", "olduid": "NiPO3-4bdb328eda8b", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 2.0663424453532766, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.41786499007903755, "hform": -1.1899790475393943}


unique_id: 157bdd812dc14d1f662e22d9fc727146
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AgSO3/Ag4S4O12-d37358411991", "uid": "4AgSO3-1", "olduid": "Ag4S4O12-f4a3b00a08e4", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 3.1641048199797286, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.15014948898850858, "hform": -0.7347391226235317}


unique_id: aec8dd4e2b0a0303167369c42e60e450
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/AsPdSe3/As2Pd2Se6-c95c134cef7d", "uid": "2AsPdSe3-1", "olduid": "As2Pd2Se6-8bb7d06deffa", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.010834186061233, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.10832776956246035, "hform": -0.12253201566832032}


unique_id: aa6c21152d29d70e9fe9e793d438ae45
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/CdCrO3/Cd2Cr2O6-f5c0d486b2f5", "uid": "2CdCrO3-1", "olduid": "Cd2Cr2O6-41ade484233b", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.878351401430807, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.20368747584530772, "hform": -1.3630997029993495}


unique_id: 43b6ac3bffe3ba8d1f32ecf2fa6f4419
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/GaSiTe3/Ga2Si2Te6-89dd62911820", "uid": "2GaSiTe3-1", "olduid": "Ga2Si2Te6-fdb199dd71dc", "international": "P-31m", "number": 162, "has_inversion_symmetry": true, "lgnum": 71, "layergroup": "p-31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.6171592858446946, "label": "Lyngby22_LDP", "gap": 0.31675606674868373, "gap_dir": 0.4893796854648076, "gap_dir_nosoc": 0.5919021200337595, "evac": 2.0652661907988645, "efermi": -4.761135209422842, "vbm": -4.9195132427971835, "cbm": -4.602757176048501, "minhessianeig": -7.838629429443708e-16, "dyn_stab": "Yes", "gap_hse": 0.7263717007817379, "gap_dir_hse": 0.9161170904993354, "efermi_hse": -4.863907456230217, "vbm_hse": -5.227093306621086, "cbm_hse": -4.500721605839348, "alphax_el": 8.817286380953247, "alphay_el": 8.828940738131624, "alphaz_el": 0.47087473948022285, "alphax_lat": 7.563275986249119, "alphax": 16.380562367202366, "alphay_lat": 7.572595920571606, "alphay": 16.40153665870323, "alphaz_lat": 0.011593399098257606, "alphaz": 0.4824681385784805, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.035188736489201976, "hform": -0.15261379378111925}


unique_id: 92e7f54f2b6fd102166371bd9c6a7e77
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NRbS3/N2Rb2S6-5e0883ad4f29", "uid": "2NRbS3-2", "olduid": "N2Rb2S6-2926d31bcbcb", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 6.052081223157927, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4775664057656961, "hform": 0.050546136800889485}


unique_id: e521f8e111eaa2094ae4680ee7284f2c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC3/NRbS3/N2Rb2S6-b9b8e111d302", "uid": "2NRbS3-1", "olduid": "N2Rb2S6-af13dcd222bc", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 4.176320230107624, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4436425787488723, "hform": 0.016622309784065693}


unique_id: 3201daf596495e20f05ae82fdad8b8eb
username: cmr
calculator: unknown
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