# systems

unique_id: 4f4a97d1277070bee65285511a61b654
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 3399eab996ef4aabba32240e29395d04
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/V2H4O10Se2", "uid": "2SeVH2O5-1", "olduid": "Se2V2H4O10-18c67f1655a2", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.87449651975856, "label": "exfoliated02-21", "gap": 0.8923872480332258, "gap_dir": 1.033507826320423, "gap_dir_nosoc": 1.0357619666820441, "evac": 1.175839731358458, "efermi": -3.749770940249495, "vbm": -4.195964564266108, "cbm": -3.303577316232882, "minhessianeig": 2.140656755301165e-15, "dyn_stab": "Yes", "gap_hse": 3.3049469737010866, "gap_dir_hse": 3.4423819245415204, "efermi_hse": -3.9413769063682382, "vbm_hse": -5.593850393218782, "cbm_hse": -2.288903419517695, "icsd_id": 69994, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.03888392507178651, "dE_zy": -0.05090598347123887, "J": -17.088932658680278, "lam": -0.06824470710853348, "A": 0.0, "spin": 0.5, "N_nn": 1, "ehull": 0.07436259027660183, "hform": -1.3514646354512603}


unique_id: 87794b15da92235285f6790d7744ea1f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D5/TeVF2S5/Te2V2F4S10-25fe6091ff2a", "uid": "2TeVF2S5-1", "olduid": "Te2V2F4S10-090a666e3194", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 7.020416812356602, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3343695635736517, "hform": -0.6375945902114495}


unique_id: 7dd9b2fc5e9fa5908e10bf82255899fc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D5/AgTeH2O5/Ag2Te2H4O10-e3d6915cbf1f", "uid": "2AgTeH2O5-1", "olduid": "Ag2Te2H4O10-49f3c2aead69", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 4.457626084990602, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.12359086922082144, "hform": -0.6861605310906798}


unique_id: adefe51f6d408b3799489a2d0ad70d60
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D5/CrSeH2O5/Cr2Se2H4O10-c283582fe9bf", "uid": "2CrSeH2O5-1", "olduid": "Cr2Se2H4O10-c28d75307217", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.929403338055872, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.09955586149575286, "hform": -1.1195152973256017}


unique_id: 47133095404ad517b18cd0e4f5fc2bfc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D5/CrTeF2S5/Cr2Te2F4S10-38fb32d0ab8d", "uid": "2CrTeF2S5-1", "olduid": "Cr2Te2F4S10-f0295f3c289d", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 6.8637649116871255, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3415344936914675, "hform": -0.5485193679565126}


unique_id: c98f755a995a96a6e185ae0addf6fdee
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Cu2H4O10Se2", "uid": "2CuSeH2O5-1", "olduid": "Cu2Se2H4O10-076e88278ed4", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 3.7757603761238716, "label": "exfoliated02-21", "gap": 0.608535248612176, "gap_dir": 0.7715186659996665, "gap_dir_nosoc": 0.7725039817547517, "evac": 1.112841472692279, "efermi": -6.914474159716601, "vbm": -7.21874178402269, "cbm": -6.610206535410514, "minhessianeig": -2.32913686072833, "dyn_stab": "No", "cod_id": 1535881, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.24738013712521933, "dE_zy": -0.2574135489794571, "ehull": 0.003993171323014109, "hform": -0.7415041655966496}


unique_id: 9b13c5c4ec45a4b4b457da47d3c85fc2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB2C3D7E7/CoNi2Mn3Cl7S7/CoNi2Mn3Cl7S7-e9953d285d51", "uid": "1CoNi2Mn3Cl7S7-1", "olduid": "CoNi2Mn3Cl7S7-e6f836c3f0a1", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 6.271225077482512, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.1325851540051552, "hform": -0.5252763734700501}


unique_id: 6032622e106d13afc7a3a427cab46641
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB4C7/TeRe4Se7/TeRe4Se7-8f4a2ab2442f", "uid": "1TeRe4Se7-1", "olduid": "TeRe4Se7-ef5236282932", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.4226926761033107, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.26176647208004283, "hform": -0.10205943645208748}


unique_id: 37de4d41532da7cbacad4f35924b11ab
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB4C7/TeHf4Se7/TeHf4Se7-17b6af1c5e74", "uid": "1TeHf4Se7-1", "olduid": "TeHf4Se7-e7c64f92d53d", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.4276645033414113, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.13313073307966997, "hform": -1.1511560128457485}


unique_id: 4802831e41256fd5e3b7477d912c57ac
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB4C7/INb4O7/INb4O7-6955404edca5", "uid": "1INb4O7-1", "olduid": "INb4O7-fceb3fef26de", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.552810414124501, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.1871114304247623, "hform": -2.190191995897108}


unique_id: e17a0b15cedd5c310d7ea070c9dca182
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB4C7/BrGa4S7/BrGa4S7-27a4c5b486c9", "uid": "1BrGa4S7-1", "olduid": "BrGa4S7-d30eafaed6de", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 3.3785658789272297, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.321355539703503, "hform": -0.28684641005647293}


unique_id: 754d7fc4fbb8738ccab6747af60a58ad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/AB4C7/TePt4Se7/TePt4Se7-e27d5f46a40f", "uid": "1TePt4Se7-1", "olduid": "TePt4Se7-def10970c310", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.5148521066680516, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.12980682572034144, "hform": -0.28428640881375483}


unique_id: e8e1128adba052bae034eca55721bdb1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB10/ZnN10/ZnN10-e365f16ee1f1", "uid": "1ZnN10-1", "olduid": "ZnN10-6dd6b248df6d", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 3.276645319579762, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.8884012817638233, "hform": 0.8884012817638233}


unique_id: a5439bc0a4831398dca881fd3015a4e5
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD2E3F7/PdTlZnAu2Br3S7/PdTlZnAu2Br3S7-2f20d8fc2746", "uid": "1PdTlZnAu2Br3S7-1", "olduid": "PdTlZnAu2Br3S7-14195e1fec0e", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 5.5231258716765765, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2348296920791661, "hform": -0.15074405448045097}


unique_id: c6f49d664d3498bfda5adb1e3a766d17
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Bi4Ge6O18", "uid": "1Bi2Ge3O9-1", "olduid": "Bi2Ge3O9-d03640c9666d", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 4.840342062860117, "label": "exfoliated02-21", "gap": 3.3643839450239224, "gap_dir": 3.3737039919556766, "gap_dir_nosoc": 3.907247852758692, "evac": 0.950308175291851, "efermi": -4.288139383605264, "vbm": -5.970331356117225, "cbm": -2.605947411093303, "minhessianeig": -0.09785947421686243, "dyn_stab": "No", "cod_id": 9008278, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.12745902720475957, "hform": -1.4290406505412332}


unique_id: c40cd9c8b2a8cf2248036659d1cd00e1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Ge6O18Sb4", "uid": "1Sb2Ge3O9-1", "olduid": "Sb2Ge3O9-f8fa6be14bdf", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 4.794920462278835, "label": "exfoliated02-21", "gap": 3.7656153297864856, "gap_dir": 3.765615329786489, "gap_dir_nosoc": 3.8612231309655902, "evac": 1.087597615197315, "efermi": -4.561076908253293, "vbm": -6.443884573146535, "cbm": -2.6782692433600497, "minhessianeig": -0.05483681475298275, "dyn_stab": "No", "cod_id": 1531640, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04776437736590898, "hform": -1.507020527221696}


unique_id: fe3432f9250cd12a1019375d69019f27
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B3C9/As2Sn3S9/As2Sn3S9-83a5fd668900", "uid": "1As2Sn3S9-1", "olduid": "As2Sn3S9-e1eb361bcbb0", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 5.734871721787471, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1286641545109665, "hform": -0.17942290911212513}


unique_id: aa2357fb732c6966c5294eb11f627c7c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B3C9/As2Si3S9/As2Si3S9-b2528e432d49", "uid": "1As2Si3S9-1", "olduid": "As2Si3S9-49b23ad6ad5c", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 5.223369161274901, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.121379443797284, "hform": -0.3595603597099795}


unique_id: fcfbfa06e518ad80e3c2a3f0c1b2faa4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B3C9/Bi2Si3S9/Bi2Si3S9-7ef0a8fd4580", "uid": "1Bi2Si3S9-1", "olduid": "Bi2Si3S9-1efb4cebbd84", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 5.403203068813903, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.16667805766297367, "hform": -0.3954407683593872}


unique_id: 78cd32adba65e7588b03649147fc686c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 5f84c9253b6689c5354612a92c884942
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B3C9/Sb2Si3S9/Sb2Si3S9-141997979784", "uid": "1Sb2Si3S9-1", "olduid": "Sb2Si3S9-40242fb7e90b", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 5.405853912250548, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.13366276622741946, "hform": -0.39580523785931226}


unique_id: f51a1245d7e044a0d14ce95cbc4fc798
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Mg3O9Si2", "uid": "1Si2Mg3O9-1", "olduid": "Si2Mg3O9-b3e429c51c98", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 4.274821499359467, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.8631473930931333, "efermi": -7.844867988556057, "minhessianeig": -8.935358360201505e-15, "dyn_stab": "Yes", "alphax_el": 31.141617209672376, "alphay_el": 28.39381770831287, "alphaz_el": 1.1976482070413208, "cod_id": 9004509, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.03900918500221451, "dE_zy": -0.038999715798127, "halfmetal_gap": 5.6616204997176345, "halfmetal_gap_dir": 5.6616204997176345, "ehull": 0.40285209620843687, "hform": -2.0075518942192048}


unique_id: e1126911f918a771ef5c0e49658dc600
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Bi4O18Si6", "uid": "1Bi2Si3O9-1", "olduid": "Bi2Si3O9-c88d045bc4a6", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 4.661949813040698, "label": "exfoliated02-21", "gap": 3.7325113606502986, "gap_dir": 3.7692744619311576, "gap_dir_nosoc": 4.454938450986881, "evac": 0.9131491986102132, "efermi": -3.8530889038851814, "vbm": -5.719344584210331, "cbm": -1.9868332235600323, "minhessianeig": -0.0436445112103516, "dyn_stab": "No", "icsd_id": 155234, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.12154112908001226, "hform": -2.137011283046266}


unique_id: d95dcaa41d32d5b85a50d9f1d17f06d4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B3C9/As2Sn3O9/As2Sn3O9-2edbe1578d50", "uid": "1As2Sn3O9-1", "olduid": "As2Sn3O9-38f73ca1b829", "international": "P-6", "number": 174, "has_inversion_symmetry": false, "lgnum": 74, "layergroup": "p-6", "bravais_type": "Hexagonal (hp)", "thickness": 4.859349557683023, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2154969038235561, "hform": -1.312264163331135}


unique_id: 95d86e2eabcbf1f16c8a5f6648523e94
username: cmr
calculator: unknown
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