# systems

unique_id: ca61a38ef663d0e4b20915e3e9627653
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Cu2I2Sr3O4/Cu2I2Sr3O4-296f8ac1ee8b", "uid": "1Cu2I2Sr3O4-1", "olduid": "Cu2I2Sr3O4-9487dd6a49a2", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 10.423511009670452, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.773515599968878, "efermi": -6.148184829558181, "minhessianeig": -1.4701056533036596e-12, "dyn_stab": "Yes", "alphax_el": 4.638108229899137, "alphay_el": 4.638108229899139, "alphaz_el": 0.8846719111421152, "plasmafrequency_x": 8.062682689420843, "plasmafrequency_y": 8.062682689420843, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -1.7518878665918836}


unique_id: 67c75a0ae99f434562fff4b5cf5d3750
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Cl2Cu2Sr3S4/Cl2Cu2Sr3S4-615d9f714944", "uid": "1Cl2Cu2Sr3S4-1", "olduid": "Cl2Cu2Sr3S4-028b0e0726e3", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 10.220145885781953, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.16517805117621912, "hform": -1.3856182006765652}


unique_id: ca1c73a3d9404adb783964d7a1b34fd4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/A2B2C3D4/H2O2N3Nb4/H2O2N3Nb4-3334754d9034", "uid": "1H2O2N3Nb4-1", "olduid": "H2O2N3Nb4-3334754d9034", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 11.70838026757535, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.719309115866768, "efermi": -2.3400158362993846, "minhessianeig": -5.113207079870975, "dyn_stab": "No", "alphax_el": 255.52412246956175, "alphay_el": 255.5241224695637, "alphaz_el": 2.732817117861939, "plasmafrequency_x": 15.189397181005068, "plasmafrequency_y": 15.18939718100513, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2613966524095906, "hform": -1.1226811664795455}


unique_id: 6b9d9b57871171a6d2ec5986c802a0e2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/H2O2N3Nb4/H2O2N3Nb4-e7a6dfc68650", "uid": "1H2O2N3Nb4-2", "olduid": "H2O2N3Nb4-13a784781ff3", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 12.430307191273393, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2654921381079403, "hform": -1.1185856807811958}


unique_id: 8345cc5b3a94a76b51d59b128e308586
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Cl2Cu2Te3P4/Cl2Cu2Te3P4-bd312fda47e1", "uid": "1Cl2Cu2Te3P4-1", "olduid": "Cl2Cu2Te3P4-9cab2c393348", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 4.227319430324815, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.11858516581575076, "hform": -0.11615565689679709}


unique_id: 84df5aa866b1c0c9f43f2a38a75ec919
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/H2O2B3Nb4/H2O2B3Nb4-1de191ae640e", "uid": "1H2O2B3Nb4-1", "olduid": "H2O2B3Nb4-5d4eb1ec413b", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 12.321887277588502, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.28229793138881054, "hform": -0.8877194314405663}


unique_id: 84df1a60f4966171e5131d085056d8f1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/H2O2B3W4/H2O2B3W4-8ae9f9f6e29f", "uid": "1H2O2B3W4-1", "olduid": "H2O2B3W4-dce5b8b546a4", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 12.425599091673604, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.44413022665335833, "hform": -0.43993897325221226}


unique_id: 42a20ccd6d0da8858a10dd9a804d2dfd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/F2S2B3V4/F2S2B3V4-2e84049f33da", "uid": "1F2S2B3V4-1", "olduid": "F2S2B3V4-87f4899ca524", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 13.104869674672539, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.7090210212483634, "hform": -0.6743715712997752}


unique_id: 9def3157042e2470c8ecbab451390fe6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Cl2Cu2Se3P4/Cl2Cu2Se3P4-67bc14e4704c", "uid": "1Cl2Cu2Se3P4-1", "olduid": "Cl2Cu2Se3P4-a26b41fc3ebc", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 4.163616411681682, "label": "Lyngby22_LDP", "gap": 1.0122464826221003, "gap_dir": 1.0131212595855872, "gap_dir_nosoc": 1.0198753785644281, "evac": 1.4930534696487106, "efermi": -4.873960091179462, "vbm": -5.3800833324905115, "cbm": -4.367836849868411, "minhessianeig": -3.2986602495498237e-15, "dyn_stab": "Yes", "gap_hse": 2.680165576676322, "gap_dir_hse": 2.680165576676322, "efermi_hse": -5.663874357456471, "vbm_hse": -7.003957145794632, "cbm_hse": -4.32379156911831, "alphax_el": 2.811569042428308, "alphay_el": 2.028614460735696, "alphaz_el": 0.3750423827985965, "alphax_lat": 0.8777507514023565, "alphax": 3.6893197938306646, "alphay_lat": 0.7828447438165598, "alphay": 2.8114592045522557, "alphaz_lat": 0.024005133816230626, "alphaz": 0.3990475166148271, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06740633614696287, "hform": -0.19713746695093642}


unique_id: 98a2a0d99e8413d51ec594fbd424af31
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/F2S2C3Mo4/F2S2C3Mo4-772104c78d11", "uid": "1F2S2C3Mo4-1", "olduid": "F2S2C3Mo4-a29af7389a3e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 13.823760990856977, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.6163275656096335, "hform": -0.28355628755999035}


unique_id: b6b5cb21a2f8940a178372f5a5d5bfde
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/H2S2N3Fe4/H2S2N3Fe4-8381e91a08fb", "uid": "1H2S2N3Fe4-1", "olduid": "H2S2N3Fe4-55d677eeedaf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 11.73827046563126, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5514123021544313, "hform": 0.25761645346303974}


unique_id: 5189becd1eecfb82fb5d7d46f9184ae9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/A2B2C3D4/S2Se2Nb3Br4/S2Se2Nb3Br4-e704f440b37c", "uid": "1S2Se2Nb3Br4-1", "olduid": "S2Se2Nb3Br4-d145324831c0", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 5.511758664695513, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.11202834873266809, "hform": -0.871508923498459}


unique_id: 6cd991447d68e4c76c46bdd938c73798
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Ag2Cl2S3P4/Ag2Cl2S3P4-255dce5de8fb", "uid": "1Ag2Cl2S3P4-1", "olduid": "Ag2Cl2S3P4-8a22a1e4444e", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 4.330375648647344, "label": "Lyngby22_LDP", "gap": 1.8777800713228556, "gap_dir": 1.9085485894876713, "gap_dir_nosoc": 1.9404683194089611, "evac": 1.3798157966517042, "efermi": -5.213621588523048, "vbm": -6.152511624184476, "cbm": -4.2747315528616205, "minhessianeig": -3.35245745933575e-15, "dyn_stab": "Yes", "gap_hse": 3.271436576138702, "gap_dir_hse": 3.3002567344408824, "efermi_hse": -5.543965940260765, "vbm_hse": -7.1796842283301165, "cbm_hse": -3.908247652191414, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.060102246424628684, "hform": -0.21657492506274423}


unique_id: c3509641485d872100e006fa3e5fd2ac
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/F2S2N3Ta4/F2S2N3Ta4-1eb09402f9c6", "uid": "1F2S2N3Ta4-1", "olduid": "F2S2N3Ta4-0189b8d9ecd9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 14.005069346466382, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.6388868819003428, "hform": -0.98362277825814}


unique_id: 94128f63af2e120c9502232fac768c87
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Br2Cu2Se3Sb4/Br2Cu2Se3Sb4-d3624f5483ca", "uid": "1Br2Cu2Se3Sb4-1", "olduid": "Br2Cu2Se3Sb4-a5bcda36fc79", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 4.625382378859959, "label": "Lyngby22_LDP", "gap": 0.9106569411280732, "gap_dir": 0.9106569411280732, "gap_dir_nosoc": 0.9370550420685588, "evac": 1.622172467304837, "efermi": -4.237721650635656, "vbm": -4.693050121199692, "cbm": -3.782393180071619, "minhessianeig": -3.08352137539295e-15, "dyn_stab": "Yes", "gap_hse": 2.471799762304417, "gap_dir_hse": 2.471799762304417, "efermi_hse": -4.9567393999156835, "vbm_hse": -6.192639281067892, "cbm_hse": -3.720839518763475, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09361740576657587, "hform": -0.18877925255789244}


unique_id: 188a0ed4aaa8f8c2b426addc0e1e2320
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/F2S2N3Zr4/F2S2N3Zr4-bc2f89fc5c8e", "uid": "1F2S2N3Zr4-1", "olduid": "F2S2N3Zr4-5e3f3bcbdd08", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 14.409053781685422, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.6558242774668147, "hform": -1.5692372878738416}


unique_id: 7cdf53d38fe2ddd764474ced4b8a399d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Cl2Cu2Ca3O4/Cl2Cu2Ca3O4-fa3274d95b10", "uid": "1Cl2Cu2Ca3O4-1", "olduid": "Cl2Cu2Ca3O4-8097f564beaf", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 8.880697597241928, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.1521163043184366, "efermi": -5.618201455939094, "minhessianeig": -3.456940771939628e-12, "dyn_stab": "Yes", "alphax_el": 3.0067891157893367, "alphay_el": 3.0067891157893243, "alphaz_el": 0.7018354155400578, "plasmafrequency_x": 8.635267929414407, "plasmafrequency_y": 8.635267929414441, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -1.9679961554775374}


unique_id: ef9ed32987463b9b1a04814b26e6943b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Ag2F2Se3Sb4/Ag2F2Se3Sb4-e089c81161f1", "uid": "1Ag2F2Se3Sb4-1", "olduid": "Ag2F2Se3Sb4-a540695aed51", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 4.142171534716354, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.27275623221158674, "hform": -0.44432165332866513}


unique_id: 5b88d71d49e4972915ded27b79558c74
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/F2S2B3Ta4/F2S2B3Ta4-cc3bb82bc456", "uid": "1F2S2B3Ta4-1", "olduid": "F2S2B3Ta4-6d86dd2f226d", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 14.22910367745446, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.5802055961676437, "hform": -0.8625793890982952}


unique_id: bff6c5384cb39c733cb3be3146070288
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Cu2I2S3Sb4/Cu2I2S3Sb4-08a24fae9bab", "uid": "1Cu2I2S3Sb4-1", "olduid": "Cu2I2S3Sb4-a494da7b7218", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 4.741029007256403, "label": "Lyngby22_LDP", "gap": 0.9884890056103872, "gap_dir": 0.9927038877880925, "gap_dir_nosoc": 1.104566029137351, "evac": 1.753508426357604, "efermi": -4.252406545881987, "vbm": -4.7466510486871805, "cbm": -3.7581620430767937, "minhessianeig": -1.8029837233060692e-15, "dyn_stab": "Yes", "gap_hse": 2.2313879965565064, "gap_dir_hse": 2.4575718264521944, "efermi_hse": -4.745433024923273, "vbm_hse": -5.861127023201526, "cbm_hse": -3.629739026645019, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0948110268117588, "hform": -0.14548767621507996}


unique_id: 9277ef1ead333d8f22ce82be39ac5f76
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/A2B2C3D4/H2O2N3Ti4/H2O2N3Ti4-07fe7ece2211", "uid": "1H2O2N3Ti4-1", "olduid": "H2O2N3Ti4-07fe7ece2211", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 11.639778755266708, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 5.899284560795677, "efermi": -2.2350895439571485, "minhessianeig": -1.700645833835826e-14, "dyn_stab": "Yes", "alphax_el": 358.15623106736314, "alphay_el": 358.15623106736405, "alphaz_el": 2.7554351824507446, "plasmafrequency_x": 11.174295134446146, "plasmafrequency_y": 11.17429513444616, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07392840916175332, "hform": -1.6668705517795672}


unique_id: 9d8d5eafdf6a9a8384eeaff52933ff29
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B2C3D4/Au2I2Ca3O4/Au2I2Ca3O4-8d351684a829", "uid": "1Au2I2Ca3O4-1", "olduid": "Au2I2Ca3O4-182bb7ea8b81", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 9.825177181095262, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2580244547322088, "hform": -1.4411900318373305}


unique_id: e3eaaa463366cdad6d6e6057b2344d76
username: cmr
calculator: unknown
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  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2/KTiTe2/KTiTe2-756bc9ce0b52", "uid": "1KTiTe2-1", "olduid": "KTiTe2-fcd89895dd0b", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.8410317975718264, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2441921187455547, "hform": -0.5939998121282803}


