# systems

unique_id: 73b6bc794ffce84599de689ef7f63028
username: jensj
key_value_pairs:
  {"folder": "ML/group_0/Br10Hf5Se4Zr/new/fm", "uid": "ZrSe4Hf5Br10-6b6280765d7f", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "z", "E_x": -3153983.3302238923, "E_y": -3153980.8651552177, "E_z": -3153983.3424001373, "dE_zx": -0.012176245036243927, "dE_zy": -2.477244919646182, "stoichiometry": "AB10C4D5", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB4C5D10-1-a", "efermi": -3.0016817543181826, "gap": 0.09982734854775366, "vbm": -3.0515954285920595, "cbm": -2.951768080044306, "gap_dir": 0.09982734854775366, "gap_dir_nosoc": 0.0, "gap_nosoc": 0.0, "minhessianeig": -0.00017934768535928707, "dynamic_stability_phonons": "high", "vbm_hse": -3.169831232788456, "cbm_hse": -2.6641501623643715, "gap_dir_hse": 0.5129944351875206, "gap_hse": 0.5056810704240844, "Source": "Machine learning generated", "asr_id": "6b6280765d7fd5f6ef6381f7883881a6", "ehull": -0.010853048266569632, "hform": -1.2397089802932477, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 6f1e978ab2055be2109de3bd3cc7373d
username: jensj
key_value_pairs:
  {"folder": "ML/group_0/Br6Hf2I4S3SiSnTi/new/fm", "uid": "SiSnTiHf2S3I4Br6-be5a3987f818", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "y", "E_x": -2402746.7172805867, "E_y": -2402747.332803408, "E_z": -2402746.909334703, "dE_zx": -0.1920541162689915, "dE_zy": 0.4234687048665364, "stoichiometry": "ABCD2E3F4G6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCD2E3F4G6-1-a", "efermi": -3.7260560599857193, "gap": 0.6556563714145871, "vbm": -4.053884245693013, "cbm": -3.3982278742784255, "gap_dir": 0.668615897740025, "gap_dir_nosoc": 0.701492071845375, "gap_nosoc": 0.688749289766525, "Source": "Machine learning generated", "asr_id": "be5a3987f81899b7fed9eb20810d9919", "ehull": 0.0793257847010409, "hform": -0.9928246884636829, "thermodynamic_stability_level": 3, "minhessianeig": -0.002769920762742303, "dynamic_stability_phonons": "high", "ndim": "1D", "xc": "PBE"}


unique_id: 4c9d39712f896953c0b8e194b74b0a3a
username: jensj
key_value_pairs:
  {"folder": "ML/group_0/Cl2P2Se2/new/fm", "uid": "Cl2P2Se2-87f73248da81", "vbm_hse": -5.926729484584687, "cbm_hse": -2.787507043617774, "gap_dir_hse": 3.139222440966913, "gap_hse": 3.139222440966913, "Source": "Machine learning generated", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC-1-a", "efermi": -4.255873143175349, "gap": 2.207095121090903, "vbm": -5.359420703720801, "cbm": -3.152325582629898, "gap_dir": 2.207095121090903, "gap_dir_nosoc": 2.2137594683754545, "gap_nosoc": 2.2137594683754545, "asr_id": "87f73248da81779d5f0569197d240ae8", "ehull": 0.034818035207004494, "hform": -0.3103649599509903, "thermodynamic_stability_level": 3, "minhessianeig": -4.0375860847694366e-15, "dynamic_stability_phonons": "high", "ndim": "1D", "xc": "PBE"}


unique_id: fe79d4f8c580954c9aa4ffaa13c8b883
username: jensj
key_value_pairs:
  {"folder": "ML/group_0/Cl8Mo2SSi/new/fm", "uid": "SSiMo2Cl8-b56d194fa789", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "x", "E_x": -1603887.574018977, "E_y": -1603887.2764865723, "E_z": -1603887.4651502161, "dE_zx": 0.10886876088989084, "dE_zy": -0.18866364371206146, "stoichiometry": "ABC2D8", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC2D8-1-a", "efermi": -3.8686032104236565, "gap": 0.8478812472305184, "vbm": -4.2925438340389155, "cbm": -3.444662586808397, "gap_dir": 0.8488969071086605, "gap_dir_nosoc": 0.8508838142470196, "gap_nosoc": 0.8508838142470196, "minhessianeig": -0.003266088244949498, "dynamic_stability_phonons": "high", "vbm_hse": -4.86624051061465, "cbm_hse": -2.9987378221371315, "gap_dir_hse": 1.9347373058285147, "gap_hse": 1.867502688477518, "Source": "Machine learning generated", "asr_id": "b56d194fa7894a2a8b4553d74b14ee36", "ehull": 0.17089727614273664, "hform": -0.8912440161341776, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: bfb470578b975cf3e656b930cdf62e39
username: jensj
key_value_pairs:
  {"folder": "ML/group_0/I6VZr/new/fm", "uid": "VZrI6-ab5be199567c", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "z", "E_x": -1148503.0281861755, "E_y": -1148503.0279863076, "E_z": -1148503.2189648414, "dE_zx": -0.19077866591032944, "dE_zy": -0.19097853373750695, "stoichiometry": "ABC6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC6-1-a", "efermi": -3.9980749215458475, "gap": 0.2391297980432423, "vbm": -4.117639820567469, "cbm": -3.8785100225242264, "gap_dir": 0.2987150805586527, "gap_dir_nosoc": 0.30611908430079504, "gap_nosoc": 0.24761949743533984, "minhessianeig": -0.008313214485260557, "dynamic_stability_phonons": "high", "asr_id": "ab5be199567cd6115ae3ae8d635e0497", "ehull": -0.043437133805447115, "hform": -0.8051558622224402, "thermodynamic_stability_level": 3, "vbm_hse": -4.704796210190002, "cbm_hse": -3.1950135129547608, "gap_dir_hse": 1.9978012275080061, "gap_hse": 1.5097826972352415, "Source": "Machine learning generated", "ndim": "1D", "xc": "PBE"}


unique_id: fb96fb390116ed6cf506a8edf363d54e
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/AlBr4ISe7Si3Ti2/new/fm", "uid": "AlITi2Si3Br4Se7-983370d25a36", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC2D3E4F7", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC2D3E4F7-1-a", "efermi": -3.334520117616872, "gap": 0.029010414959463215, "vbm": -3.3490253250966036, "cbm": -3.3200149101371403, "gap_dir": 0.04585497493276103, "gap_dir_nosoc": 0.0, "gap_nosoc": 0.0, "minhessianeig": -0.005669450407473649, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "983370d25a36b853a8598b20f57e941f", "vbm_hse": -3.2456099389022954, "cbm_hse": -3.174709928898097, "gap_dir_hse": 0.07090001000419832, "gap_hse": 0.07090001000419832, "ehull": 0.16689574078709712, "hform": -0.6565690001272952, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: e6ba4546c8d83add6b08d385634bbefb
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/AsBr2PSe2/new/fm", "uid": "AsPBr2Se2-a21932209c41", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC2D2", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC2D2-1-a", "efermi": -4.409396140329129, "gap": 2.5159229264446865, "vbm": -5.667357603551472, "cbm": -3.1514346771067854, "gap_dir": 2.5462269208217423, "gap_dir_nosoc": 2.6170815713625744, "gap_nosoc": 2.5772392244285114, "minhessianeig": -4.953053894638762e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "a21932209c41c939d324ec86a285ec20", "vbm_hse": -6.304754659338397, "cbm_hse": -2.79620575656476, "gap_dir_hse": 3.5429218337682675, "gap_hse": 3.5085489027736374, "ehull": 0.020784448879079598, "hform": -0.2288310137741932, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 36ca7cefe98f890762b3ab5d3cbe2d02
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Bi2Br6/new/fm", "uid": "Bi2Br6-0d47dbba9797", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB3", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB3-1-a", "efermi": -5.302332822461899, "gap": 2.2171285980641757, "vbm": -6.410897121493988, "cbm": -4.193768523429812, "gap_dir": 2.255530175604104, "gap_dir_nosoc": 3.5186074270727397, "gap_nosoc": 3.49346800582251, "minhessianeig": -2.5380822335061086e-14, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "0d47dbba9797d0335ee8fc0d633032d2", "vbm_hse": -7.012238974010999, "cbm_hse": -3.895980708847527, "gap_dir_hse": 3.1734506769198876, "gap_hse": 3.116258265163472, "ehull": 0.026398305667953537, "hform": -0.7579184932452048, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 730cd90daca8e6a6c779d63b4c4735e2
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Br13Hf4PdSe2/new/fm", "uid": "PdSe2Hf4Br13-0e331fb2d811", "minhessianeig": -0.005391360256017823, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "stoichiometry": "AB13C2D4", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB2C4D13-1-a", "asr_id": "0e331fb2d81137772b18ed99e0dd23ab", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "efermi": -4.406585444553002, "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "gap_nosoc": 0.0, "gap_dir_hse": 0.0, "gap_hse": 0.0, "ehull": -0.22739310579034355, "hform": -1.1675613662682598, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: f683be3eb7ec4443fbd7aae0cb9b741e
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Br5Cl3Hf2MoTe/new/fm", "uid": "MoTeHf2Cl3Br5-1d286284ce16", "stoichiometry": "ABC2D3E5", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC2D3E5-1-a", "asr_id": "1d286284ce163aafe8565e09146882eb", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "evac": 0.9727244533774568, "efermi": -4.377345622150256, "gap": 0.28832378559991056, "vbm": -4.521507514950211, "cbm": -4.2331837293503005, "gap_dir": 0.3113921730655669, "gap_dir_nosoc": 0.3131884881870164, "gap_nosoc": 0.2784009601129682, "workfunction": 5.350070075527713, "minhessianeig": -0.009058642086769859, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "ehull": 0.1518386850017781, "hform": -1.0291685229096696, "thermodynamic_stability_level": 3, "vbm_hse": -4.818089812972891, "cbm_hse": -3.7993557453156317, "gap_dir_hse": 1.0187340676572596, "gap_hse": 1.0187340676572596, "ndim": "1D", "xc": "PBE"}


unique_id: f4a3ec314696a6a490a48202dbc4e021
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Br6HfPt/new/fm", "uid": "HfPtBr6-d022eead6d6f", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC6-1-a", "efermi": -4.669662072685005, "gap": 1.3223327503888225, "vbm": -5.330828447879417, "cbm": -4.008495697490594, "gap_dir": 1.3223327503888234, "gap_dir_nosoc": 1.4972931657687143, "gap_nosoc": 1.4917124653438751, "minhessianeig": -0.008476670130516005, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "d022eead6d6fb04daa519dad95ef1c7f", "vbm_hse": -6.312581839743703, "cbm_hse": -3.6776269800246033, "gap_dir_hse": 2.6483108368009876, "gap_hse": 2.6349548597190995, "ehull": -0.26844327887336095, "hform": -0.9499051356502366, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 26742409b75d4f7f82597547d95d5881
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Br8ClHfPtSn/new/fm", "uid": "ClHfPtSnBr8-6c86b40d4afe", "minhessianeig": -9.25546268762925e-16, "dynamic_stability_phonons": "high", "vbm_hse": -5.790105060778664, "cbm_hse": -4.281398749098961, "gap_dir_hse": 1.549774326133706, "gap_hse": 1.5087063116797035, "Source": "Machine learning generated", "stoichiometry": "ABCDE8", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCDE8-1-a", "asr_id": "6c86b40d4afeebed9bb229ef2b0e2083", "ehull": 0.007087612867441639, "hform": -0.8137854262568934, "thermodynamic_stability_level": 3, "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "x", "E_x": -1816258.4945306524, "E_y": -1816257.0091276905, "E_z": -1816255.4442271695, "dE_zx": 3.050303482950767, "dE_zy": 1.56490052108893, "efermi": -4.740075830592637, "gap": 0.4479710823547043, "vbm": -4.964061371769989, "cbm": -4.516090289415285, "gap_dir": 0.47374236064456277, "gap_dir_nosoc": 0.5191279454290552, "gap_nosoc": 0.4848148669200292, "ndim": "1D", "xc": "PBE"}


unique_id: 237c1c3c9aa57fb6a3a603c65ebd0a74
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Br8S2Ti4/new/fm", "uid": "S2Ti4Br8-28395fbfff17", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB2C4", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB2C4-1-a", "efermi": -3.7847718425455934, "gap": 0.0882451719775168, "vbm": -3.8288944285343516, "cbm": -3.740649256556835, "gap_dir": 0.127915622571805, "gap_dir_nosoc": 0.12858392688341613, "gap_nosoc": 0.08832101370370271, "minhessianeig": -1.6430478965703985e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "28395fbfff17fc5be15c23278feeecce", "ehull": -0.01961195083460998, "hform": -1.3198856532169867, "thermodynamic_stability_level": 3, "vbm_hse": -3.067412627614685, "cbm_hse": -3.055905732266194, "gap_dir_hse": 0.011506895348495583, "gap_hse": 0.011506895348491142, "ndim": "1D", "xc": "PBE"}


unique_id: 6c81b4e9ce83c1ced66d86007991e1e4
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/BrCl7Pt2/new/fm", "uid": "BrPt2Cl7-1307e768b81f", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB2C7", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB2C7-1-a", "efermi": -5.790042661293258, "gap": 0.01971212896695196, "vbm": -5.799898725776734, "cbm": -5.780186596809782, "gap_dir": 0.42276315139465304, "gap_dir_nosoc": 0.0, "gap_nosoc": 0.0, "minhessianeig": -1.924697083666303e-14, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "1307e768b81f409a5c7ab2d8e37fd863", "vbm_hse": -6.671115772194513, "cbm_hse": -5.745696200610202, "gap_dir_hse": 1.4221973178977416, "gap_hse": 0.9254195715843112, "ehull": 0.010968911610448662, "hform": -0.33116551830748475, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 7d32824f1cb2e6726e07d22f363f5266
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Cl11Mo3N/new/fm", "uid": "NMo3Cl11-fe0fad055432", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB11C3", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB3C11-1-a", "efermi": -5.1894534350863415, "gap": 0.26437963815481247, "vbm": -5.321643254163748, "cbm": -5.057263616008935, "gap_dir": 0.26437963815481247, "gap_dir_nosoc": 0.2628361830537944, "gap_nosoc": 0.2628361830537944, "minhessianeig": -0.0014399227812446392, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "fe0fad055432c3f3d8018a0c93daac21", "ehull": 0.0775467301800905, "hform": -0.7481847497765235, "thermodynamic_stability_level": 3, "vbm_hse": -5.59228741082946, "cbm_hse": -4.690476206465635, "gap_dir_hse": 0.9018112043638311, "gap_hse": 0.9018112043638249, "ndim": "1D", "xc": "PBE"}


unique_id: 61ffaa473e38a9a78d501dec15ea74a0
username: jensj
key_value_pairs:
  {"folder": "ML/group_1/Cl6CuV/new/fm", "uid": "CuVCl6-37e4fd3b3f4d", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC6-1-a", "efermi": -5.630027973251748, "gap": 0.29179831502969744, "vbm": -5.775927130766597, "cbm": -5.4841288157368995, "gap_dir": 0.34288742579327725, "gap_dir_nosoc": 0.35540047235837946, "gap_nosoc": 0.3023215339689722, "minhessianeig": -0.009540934382708569, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "37e4fd3b3f4d563403725b6937658029", "vbm_hse": -6.5916898992703885, "cbm_hse": -4.766318460497611, "gap_dir_hse": 1.8253714387727777, "gap_hse": 1.8253714387727777, "ehull": 0.004755995950196046, "hform": -0.8767695341065753, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: b05c08b9ad696317e58922d23a917aae
username: jensj
key_value_pairs:
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calculator: gpaw
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calculator: gpaw
calculator_parameters: {}
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calculator: dftd3
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calculator: gpaw
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username: jensj
key_value_pairs:
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unique_id: efa4c434517f471708635831098a8555
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
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unique_id: e45eda116d92ac952215aa3eb5ef5767
username: jensj
key_value_pairs:
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unique_id: 61bdf110eb306d0dfa7b2d03d84f286a
username: jensj
key_value_pairs:
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unique_id: c2cc446aaf16f038122769ebdcf8f3e5
username: jensj
key_value_pairs:
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