# systems

unique_id: a9e26a17b2ae2f6560c1520f04bf5e3f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/MoS2/MoS2-165798ab5e18", "uid": "1MoS2-3", "olduid": "MoS2-165798ab5e18", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 2.6079492450051287, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.821470793815486, "efermi": -5.080057250784096, "minhessianeig": -1.1750390494986865e-10, "dyn_stab": "Yes", "alphax_el": 18.817257433422935, "alphay_el": 18.698558687571087, "alphaz_el": 0.31870795276791597, "plasmafrequency_x": 4.983379282161453, "plasmafrequency_y": 5.017672099594772, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.614775112601008, "hform": -0.30615243215188787}


unique_id: 809eedaf178417a3d6e357c677f21469
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/MoS2/MoS2-249ca8711314", "uid": "1MoS2-2", "olduid": "MoS2-249ca8711314", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.1745773363898957, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.531414315312743, "efermi": -5.077985705658417, "minhessianeig": -20.428029103949953, "dyn_stab": "No", "alphax_el": 75.91132251783806, "alphay_el": 75.91132251783799, "alphaz_el": 0.39106692907445256, "plasmafrequency_x": 5.024715274293621, "plasmafrequency_y": 5.024715274293622, "icsd_id": 26622, "doi": "10.1038/nmat4080", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2769312458986602, "hform": -0.6439962988542357}


unique_id: ebc2b986239b7bd5ae72e19a1330f58b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/MoS2/MoS2-b3b4685fb6e1", "uid": "1MoS2-1", "olduid": "MoS2-b3b4685fb6e1", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.12711264635152, "label": "original03-18", "gap": 1.580389439677671, "gap_dir": 1.5803894396776728, "gap_dir_nosoc": 1.6613864123506252, "evac": 4.530735699811391, "efermi": -5.0974555923892275, "vbm": -5.887650312228064, "cbm": -4.307260872550392, "minhessianeig": -8.487811379361733e-15, "dyn_stab": "Yes", "gap_hse": 2.0874393506372604, "gap_dir_hse": 2.0874393506372604, "efermi_hse": -4.941105463073411, "vbm_hse": -5.984825138855917, "cbm_hse": -3.8973857882186564, "gap_gw": 2.5329069544399143, "gap_dir_gw": 2.532906954439917, "efermi_gw": -4.694476535321507, "vbm_gw": -5.960930012541464, "cbm_gw": -3.42802305810155, "E_B": 0.5467357996085316, "alphax_el": 6.192093166810009, "alphay_el": 6.19209316681001, "alphaz_el": 0.37390231635713794, "alphax_lat": 0.09597286990874913, "alphax": 6.288066036718758, "alphay_lat": 0.09617087607081891, "alphay": 6.288264042880829, "alphaz_lat": 0.0005342665576929332, "alphaz": 0.3744365829148309, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "icsd_id": 38401, "cod_id": 9007661, "doi": "10.1103/PhysRevLett.105.136805", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -0.920927544752896}


unique_id: 5e8d95d5f7fc427789119714b2c6adfe
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/MoS2/Mo2S4-b06001f565b8", "uid": "2MoS2-1", "olduid": "Mo2S4-b06001f565b8", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.463084153134635, "label": "original03-18", "gap": 0.05102847991953441, "gap_dir": 0.05102847991953441, "gap_dir_nosoc": 0.0, "evac": 4.368617071325179, "efermi": -5.780216445947072, "vbm": -5.805730685906839, "cbm": -5.7547022059873045, "minhessianeig": -4.170473049845182e-14, "dyn_stab": "Yes", "gap_hse": 0.06948461062999045, "gap_dir_hse": 0.06948461062999045, "efermi_hse": -5.895217024556148, "vbm_hse": -5.920488909594584, "cbm_hse": -5.851004298964594, "alphax_el": 104.64507095726695, "alphay_el": 24.931552113951206, "alphaz_el": 0.4318685473882835, "alphax_lat": 23.257546088149354, "alphax": 127.9026170454163, "alphay_lat": 8923.12087466484, "alphay": 8948.052426778791, "alphaz_lat": 0.00018018005305950956, "alphaz": 0.43204872744134304, "plasmafrequency_x": 0.4156380764247167, "plasmafrequency_y": 1.0579247885296381, "cod_id": 4124624, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.18014169385649956, "hform": -0.7407858508963964}


unique_id: 406a143475e26383df14078bfa284493
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/MoS2/Mo2S4-b1aa62ba3954", "uid": "2MoS2-2", "olduid": "Mo2S4-b1aa62ba3954", "international": "P4/mbm", "number": 127, "has_inversion_symmetry": true, "lgnum": 63, "layergroup": "p4/mbm", "bravais_type": "Square (tp)", "thickness": 0.00035800528956286826, "label": "original03-18", "gap": 0.13290370076489433, "gap_dir": 0.17355848255055317, "gap_dir_nosoc": 0.1727606262352981, "evac": 2.3427324661347413, "efermi": -4.657198998411005, "vbm": -4.7236508487934525, "cbm": -4.590747148028558, "minhessianeig": -4.935608257103054e-13, "dyn_stab": "Yes", "gap_hse": 0.006049341805522523, "gap_dir_hse": 0.15904388393459312, "efermi_hse": -4.676525637468366, "vbm_hse": -4.679550308371127, "cbm_hse": -4.673500966565604, "E_B": 0.4271666262352981, "alphax_el": 55.570548484911654, "alphay_el": 54.06819859736523, "alphaz_el": 0.21123048385495022, "alphax_lat": 3.7548724215360725, "alphax": 59.325420906447725, "alphay_lat": 3.6330992344930886, "alphay": 57.70129783185832, "alphaz_lat": 0.0053508982990127145, "alphaz": 0.21658138215396294, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": true, "spin_axis": "z", "dE_zx": -3.4777112691699585, "dE_zy": -3.4790442647363307, "J": 30.537983940831737, "lam": 0.29261504573696584, "A": 2.2823557022775276, "spin": 1.0, "N_nn": 4, "topology": "C=2", "ehull": 1.022043332504681, "hform": 0.10111578775178505}


unique_id: a9c6e27029f8826d10b70f80d6c4deb8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/YS2/YS2-133aaf20a1ca", "uid": "1YS2-1", "olduid": "YS2-133aaf20a1ca", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 2.9678918531388128, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.371670970203504, "efermi": -6.880968825958695, "dyn_stab": "Unknown", "plasmafrequency_x": 2.0763682660670812, "plasmafrequency_y": 2.0784412625373485, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.16350957224631202, "dE_zy": 0.1633434129644229, "ehull": 0.8002892260961584, "hform": -0.9781521855097312}


unique_id: 7bd2bb9d98bd5de2d7f5b50077ce7278
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CoS2/Co2S4-91b90e8c44c7", "uid": "2CoS2-3", "olduid": "Co2S4-91b90e8c44c7", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 0.6918477182163318, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.515016782298739, "efermi": -5.171788325625233, "minhessianeig": -3.1371973761552e-14, "dyn_stab": "Yes", "alphax_el": 29.535331110254706, "alphay_el": 28.52215214204116, "alphaz_el": 0.27916718249892086, "plasmafrequency_x": 2.629383453301375, "plasmafrequency_y": 3.1463765304282076, "is_magnetic": true, "spin_axis": "x", "dE_zx": 1.680325827408069, "dE_zy": 0.24624665599048967, "J": 30.063853862969836, "lam": -0.48642393301179254, "A": 0.0, "spin": 0.5, "N_nn": 4, "halfmetal_gap": 0.0, "halfmetal_gap_dir": 0.0, "ehull": 0.2372904558881063, "hform": -0.15027515340782335}


unique_id: 3cd82c6528930304b1eb899e2f79ee2a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CoS2/Co2S4-bafe80b4bdc4", "uid": "2CoS2-1", "olduid": "Co2S4-bafe80b4bdc4", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 2.736136206723798, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.8703775813565873, "efermi": -5.747986943799965, "minhessianeig": -4.705215737568277, "dyn_stab": "No", "alphax_el": 14.775005217279313, "alphay_el": 18.034804641316146, "alphaz_el": 0.4466758268292401, "plasmafrequency_x": 1.8453726958352732, "plasmafrequency_y": 4.431845613935374, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09263553763664471, "hform": -0.2949300716592849}


unique_id: 38f3585a76d75e46d9362d6185be7238
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/CoS2/Co2S4-16ebac9fd9cb", "uid": "2CoS2-2", "olduid": "Co2S4-30a143de15be", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 5.009056218849528, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2293937458498192, "hform": -0.15817186344611045}


unique_id: 2eab6e71757c54755e3ff9f1420e1343
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/VH2/V2H4-2e654b2afa75", "uid": "2VH2-1", "olduid": "V2H4-ba8024a43033", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 2.1410956967782298, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2014249390878895, "hform": -0.012066300122318907}


unique_id: 93db4399f8879bcd7a6b287d7d30c151
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/IrI2/IrI2-062d0237d0cf", "uid": "1IrI2-1", "olduid": "IrI2-062d0237d0cf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.898233302648909, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.84686205338066, "efermi": -3.7675139416174264, "minhessianeig": -1.1496580834907428, "dyn_stab": "No", "alphax_el": 124.51815780076446, "alphay_el": 124.51815780076457, "alphaz_el": 0.6433041725490126, "plasmafrequency_x": 6.26751998762612, "plasmafrequency_y": 6.26751998762612, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.38560351099981416, "hform": 0.24636185384606554}


unique_id: 24665e181edadf7f70b029e070b4a1f4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/IrI2/IrI2-8fffb8a074b5", "uid": "1IrI2-2", "olduid": "IrI2-8fffb8a074b5", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 3.3764760268976657, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.2026110697697954, "efermi": -4.33220751786537, "minhessianeig": -2.692806893990604, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.583584938217009, "hform": 0.4443432810632603}


unique_id: f7ed497a49733521b5950cc293a7380d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/IrI2/IrI2-ef0dc8a90cb0", "uid": "1IrI2-3", "olduid": "IrI2-ef0dc8a90cb0", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.3272393649054344, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.05970007394124, "efermi": -4.06406969421305, "minhessianeig": -9.812688549750373, "dyn_stab": "No", "alphax_el": 32.413385075619836, "alphay_el": 32.413385075619814, "alphaz_el": 1.7991849140675946, "plasmafrequency_x": 6.679010212028797, "plasmafrequency_y": 6.679010212028797, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.8088356513657154, "hform": 0.6695939942119669}


unique_id: 4e4773d829caba235b805aa8fbca053e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB2/ORb2/O2Rb4-bdcec3a46fda", "uid": "2ORb2-1", "olduid": "O2Rb4-1919de57b43a", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.630740424620842, "label": "Wang23", "gap": 0.3376764088072125, "gap_dir": 0.3376764088072125, "gap_dir_nosoc": 0.340362819995023, "evac": 1.5225601464289231, "efermi": -1.4122679001651932, "vbm": -1.5811061045687995, "cbm": -1.243429695761587, "minhessianeig": -1.8408425168111055e-14, "dyn_stab": "Yes", "gap_hse": 1.5983016082805515, "gap_dir_hse": 1.5987203506426373, "efermi_hse": -1.9536410831017579, "vbm_hse": -2.752791887242034, "cbm_hse": -1.1544902789614822, "alphax_el": 2.077654841445033, "alphay_el": 2.0777582308373423, "alphaz_el": 0.4557871904409894, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.4802973661668753e-16, "hform": -0.9192684875637959}


unique_id: 862c64038ac80ac7468a3b334353baf3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/IrBi2/Ir4Bi8-65315e4ae089", "uid": "4IrBi2-1", "olduid": "Ir4Bi8-94c5ac515588", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 3.3539385804341375, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.2574364516289225, "efermi": -3.6066626389436576, "minhessianeig": -3.5370319233272282e-15, "dyn_stab": "Yes", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03633185310178296, "hform": -0.024209911100869636}


unique_id: 68cfe092efbb47f6b36b584fb88752f1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/AuCl2/Au2Cl4-e6374b17ae18", "uid": "2AuCl2-1", "olduid": "Au2Cl4-9cf3145c44fd", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 2.3994200122386626, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.2798786599921996, "efermi": -5.9817501428640645, "minhessianeig": -0.2846884365981691, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04074674752628867, "hform": -0.22427258973845157}


unique_id: a9a8f1011a96496410d4f262edbccca8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/PdS2/Pd2S4-b53de4491ef5", "uid": "2PdS2-1", "olduid": "Pd2S4-b53de4491ef5", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 1.272733703063249, "label": "original03-18", "gap": 1.1198988050409382, "gap_dir": 1.610562315053513, "gap_dir_nosoc": 1.6163486444857948, "evac": 2.6053650217669215, "efermi": -4.986919778325254, "vbm": -5.546869180845723, "cbm": -4.426970375804785, "minhessianeig": -4.3037409572033136e-16, "dyn_stab": "Yes", "gap_hse": 2.014844453906189, "gap_dir_hse": 2.547253101374743, "efermi_hse": -5.28275031790311, "vbm_hse": -6.320918595848251, "cbm_hse": -4.306074141942062, "E_B": 1.1131473677804553, "alphax_el": 3.903802519303462, "alphay_el": 3.9149316670767758, "alphaz_el": 0.23834639393219478, "alphax_lat": 0.2885065035464644, "alphax": 4.192309022849926, "alphay_lat": 0.30691546075228093, "alphay": 4.221847127829057, "alphaz_lat": 0.0002110326449803903, "alphaz": 0.23855742657717519, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 2310589, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0024108158765449397, "hform": -0.29408125234405996}


unique_id: 65a366cc01be11b9a7a7b1dccb0b08c4
username: cmr
calculator: unknown
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calculator_parameters: {}
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