# systems

unique_id: f39962be2d30c3b7c107de7d0c4e3533
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/TaCl2/Ta2Cl4-0c194009035f", "uid": "2TaCl2-1", "olduid": "Ta2Cl4-4fb3862007a2", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 3.665279145283371, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.973432286414816, "efermi": -2.9858358972579966, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.22109061342143596, "hform": -0.910636137453117}


unique_id: 5e72e90aa9f5a0173a818c42e99f38b2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/SnCl2/SnCl2-514a8a12dca9", "uid": "1SnCl2-2", "olduid": "SnCl2-514a8a12dca9", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.3891882123665305, "label": "original03-18", "gap": 2.7451014032683316, "gap_dir": 2.7720746335072253, "gap_dir_nosoc": 2.9238661632849148, "evac": 2.97744725221827, "efermi": -5.81787652620781, "vbm": -7.190427227841976, "cbm": -4.4453258245736444, "minhessianeig": -0.4254462736156203, "dyn_stab": "No", "gap_hse": 3.537207003340947, "gap_dir_hse": 3.580824879759962, "efermi_hse": -6.3865427523633755, "vbm_hse": -7.80142555386537, "cbm_hse": -4.264218550524422, "gap_gw": 4.772338328674088, "gap_dir_gw": 4.846341643159345, "efermi_gw": -6.785327238137698, "vbm_gw": -8.694262569610554, "cbm_gw": -3.921924240936467, "E_B": 1.878997683341349, "alphax_el": 1.6638654408777325, "alphay_el": 1.6638654408777314, "alphaz_el": 0.34809773163010715, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.11743464295073795, "hform": -0.8945103921170681}


unique_id: 5c3397e8c023ea8c5d71d114e99c4f5b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/SnCl2/SnCl2-95805103ce95", "uid": "1SnCl2-3", "olduid": "SnCl2-95805103ce95", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 2.783281015386674, "label": "original03-18", "gap": 1.4526253152915953, "gap_dir": 2.768479026620855, "gap_dir_nosoc": 2.8942768224537625, "evac": 1.8826216527501938, "efermi": -5.287640112222868, "vbm": -6.0139527698686654, "cbm": -4.56132745457707, "minhessianeig": -1.739710944148509, "dyn_stab": "No", "gap_hse": 2.152652848860624, "gap_dir_hse": 3.4928275977673304, "efermi_hse": -5.381961021471078, "vbm_hse": -6.458287446398203, "cbm_hse": -4.30563459753758, "alphax_el": 1.1556082572807347, "alphay_el": 1.155617400081146, "alphaz_el": 0.2568178454361074, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1455566849612051, "hform": -0.8663883501066009}


unique_id: 7c7dc4544f5238afe50bfc64c2fb727b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/SnCl2/SnCl2-b44ab946b72b", "uid": "1SnCl2-1", "olduid": "SnCl2-b44ab946b72b", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.989438246665344, "label": "original03-18", "gap": 2.323855177277699, "gap_dir": 3.0946680408645975, "gap_dir_nosoc": 3.1460561779215808, "evac": 2.69593535356724, "efermi": -5.613406977751712, "vbm": -6.775334566390562, "cbm": -4.451479389112863, "minhessianeig": -0.6326514414531651, "dyn_stab": "No", "gap_hse": 3.1840789530976403, "gap_dir_hse": 4.036824135576308, "efermi_hse": -5.25057878797432, "vbm_hse": -7.373298090284118, "cbm_hse": -4.189219137186478, "gap_gw": 4.552791809629908, "gap_dir_gw": 5.395058936905445, "efermi_gw": -5.309611512735119, "vbm_gw": -8.344806052490203, "cbm_gw": -3.7920142428602945, "E_B": 1.9230967134216193, "alphax_el": 1.5975726730510933, "alphay_el": 1.5975726730510953, "alphaz_el": 0.3101180690605944, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.021249046674673977, "hform": -0.990695988393132}


unique_id: 8e53c35a910c417cf221438a601c372f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/WO2/W2O4-46e178ee369d", "uid": "2WO2-1", "olduid": "W2O4-46e178ee369d", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 2.6638919378404307, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.960228720037641, "efermi": -6.305470683021282, "minhessianeig": -7.096527988435274e-11, "dyn_stab": "Yes", "alphax_el": 21.665170278523306, "alphay_el": 5.129963016155234, "alphaz_el": 0.2579208663163752, "plasmafrequency_x": 3.050952319613952, "plasmafrequency_y": 4.425457585135748, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.19841411720632962, "hform": -1.8183619514786737}


unique_id: 8a1e1e2c7fec52740010c5795c2a5671
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB2/CuI2/Cu3I6-d2e6bf07bb83", "uid": "3CuI2-1", "olduid": "Cu3I6-775cae875687", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 3.816995729248041, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.1718214377262717, "efermi": -5.5152275265138275, "minhessianeig": -1.3703544380097994, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.021374207817734556, "hform": -0.10747293935816929}


unique_id: a812e83976a9d49e2e92bdc8e8d3059c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/RuS2/RuS2-1542d44a06be", "uid": "1RuS2-3", "olduid": "RuS2-1542d44a06be", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 2.468115686335233, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.7404822336089962, "efermi": -5.216556530464503, "minhessianeig": -1.2501795976307389e-11, "dyn_stab": "Yes", "alphax_el": 23.851752955048216, "alphay_el": 24.351463138295273, "alphaz_el": 0.38568215606399325, "plasmafrequency_x": 7.174605355227456, "plasmafrequency_y": 7.225058690628129, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4842728060857506, "hform": -0.08437593733904218}


unique_id: 53332908e3b0aa6ef182d63d0d98ecde
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/RuS2/RuS2-bd1cbb66f7bc", "uid": "1RuS2-1", "olduid": "RuS2-bd1cbb66f7bc", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.812428514243618, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.048705063612353, "efermi": -5.846775713538492, "minhessianeig": -4.966978870745717, "dyn_stab": "No", "alphax_el": 18.89178587508303, "alphay_el": 18.89178587508302, "alphaz_el": 0.3637767897634792, "plasmafrequency_x": 2.0293684732218815, "plasmafrequency_y": 2.029368473221882, "is_magnetic": true, "spin_axis": "y", "dE_zx": 7.053097180687473, "dE_zy": 7.055709870087412, "J": 18.877063085369628, "lam": -0.7179710535751838, "A": -10.485234664542986, "spin": 1.0, "N_nn": 6, "ehull": 0.4091566391799783, "hform": -0.15949210424481444}


unique_id: dc7604cc48fa606e49eca44f1f17a9d0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/RuS2/RuS2-f8117ef86c77", "uid": "1RuS2-2", "olduid": "RuS2-f8117ef86c77", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.8029169058909353, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.013819477117055, "efermi": -4.771692221954018, "minhessianeig": -5.842921802766005, "dyn_stab": "No", "alphax_el": 13.33974341477581, "alphay_el": 13.339743414775814, "alphaz_el": 0.39621000171211984, "plasmafrequency_x": 7.297904565618045, "plasmafrequency_y": 7.297904565618045, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.4345461367045817, "hform": -0.13410260672021104}


unique_id: f96372ae1c2da8dd4d8a1e135c83ba21
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/AgI2/Ag2I4-8d8e684fdb8e", "uid": "2AgI2-2", "olduid": "Ag2I4-8d8e684fdb8e", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.432391771124564, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.330361203739351, "efermi": -5.843217652981377, "minhessianeig": -0.7585497297135161, "dyn_stab": "No", "alphax_el": 26.03648712329144, "alphay_el": 23.405783648366164, "alphaz_el": 0.4320717223435273, "plasmafrequency_x": 4.8560025757494465, "plasmafrequency_y": 6.2139440592774005, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.10390395791728198, "hform": -0.07537022603737083}


unique_id: d810339f13ed50f234eacb6c648486bd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB2/AgI2/Ag2I4-aaf0262d97c8", "uid": "2AgI2-1", "olduid": "Ag2I4-e5a47d6d3a81", "international": "P222_1", "number": 17, "has_inversion_symmetry": false, "lgnum": 20, "layergroup": "p2_122", "bravais_type": "Rectangular (op)", "thickness": 4.459986314711889, "label": "Wang23", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.075482255702406, "efermi": -5.968083780046796, "minhessianeig": -0.09878350925462727, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0624447429919082, "hform": -0.11682944096274461}


unique_id: 5f010e1fe8c6c26c2718be9ef36b7bb3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/PbI2/PbI2-14411dde597c", "uid": "1PbI2-3", "olduid": "PbI2-14411dde597c", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 3.791339798207721, "label": "original03-18", "gap": 1.2931270798105765, "gap_dir": 1.683390521857389, "gap_dir_nosoc": 2.386118044999514, "evac": 2.3696397797390203, "efermi": -5.336220698119576, "vbm": -5.982784238024864, "cbm": -4.689657158214288, "minhessianeig": -0.2531430882254919, "dyn_stab": "No", "gap_hse": 1.9289195911802302, "gap_dir_hse": 2.4022182690455054, "efermi_hse": -5.41544798047145, "vbm_hse": -6.418362862694009, "cbm_hse": -4.489443271513778, "alphax_el": 1.56243335324361, "alphay_el": 1.5638122169026598, "alphaz_el": 0.3856957403080685, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.14473925650974984, "hform": -0.5476825478204231}


unique_id: 3719ae8e3674e52adeac7dd8376c709e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/PbI2/PbI2-82db29775962", "uid": "1PbI2-1", "olduid": "PbI2-82db29775962", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.734819336916572, "label": "original03-18", "gap": 1.4994499199913929, "gap_dir": 1.7347661540207024, "gap_dir_nosoc": 2.848435729220617, "evac": 3.1448028124636216, "efermi": -5.548763736464997, "vbm": -6.2984886964606925, "cbm": -4.7990387764693, "minhessianeig": -3.633914144443715e-15, "dyn_stab": "Yes", "gap_hse": 2.299671903419279, "gap_dir_hse": 2.551800554566438, "efermi_hse": -5.585634370632054, "vbm_hse": -6.7991197460028125, "cbm_hse": -4.499447842583534, "gap_gw": 3.224097533132783, "gap_dir_gw": 3.48093856892036, "efermi_gw": -5.419138937221536, "vbm_gw": -7.546586675009447, "cbm_gw": -4.322489141876664, "E_B": 0.7478031775638638, "alphax_el": 2.6571721004432924, "alphay_el": 2.657172100443292, "alphaz_el": 0.4271412861401309, "alphax_lat": 10.57524328148074, "alphax": 13.232415381924032, "alphay_lat": 10.581043778258397, "alphay": 13.23821587870169, "alphaz_lat": 0.043949970313849146, "alphaz": 0.4710912564539801, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "cod_id": 9009141, "doi": "10.1002/advs.201802204", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0, "hform": -0.692421804330173}


unique_id: 3af71a5b5908d5580995366fdca1632a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/PbI2/PbI2-9e6494406d07", "uid": "1PbI2-2", "olduid": "PbI2-9e6494406d07", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 4.062193056098515, "label": "original03-18", "gap": 1.5770685538707858, "gap_dir": 1.6281519911488829, "gap_dir_nosoc": 2.9044830330816853, "evac": 3.3515838022672826, "efermi": -5.4516101599223, "vbm": -6.240144436857692, "cbm": -4.663075882986907, "minhessianeig": -4.057078183454683e-15, "dyn_stab": "Yes", "gap_hse": 2.4039240888589157, "gap_dir_hse": 2.543222534529356, "efermi_hse": -5.380218970182323, "vbm_hse": -6.7366025107975505, "cbm_hse": -4.332678421938635, "gap_gw": 3.3377813603513817, "gap_dir_gw": 3.366829931642051, "efermi_gw": -5.259664895435256, "vbm_gw": -7.484559651582088, "cbm_gw": -4.146778291230706, "E_B": 0.7619503173068362, "alphax_el": 2.5976502569714146, "alphay_el": 2.5976502569714137, "alphaz_el": 0.4613323631136253, "alphax_lat": 5.273011755453674, "alphax": 7.870662012425089, "alphay_lat": 5.263960392427704, "alphay": 7.861610649399117, "alphaz_lat": 0.052823866345441485, "alphaz": 0.5141562294590668, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07798461548316737, "hform": -0.6144371888470056}


unique_id: 90d0561bba721a02dd2038db52f4c28c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CsF2/CsF2-0f4680d4a768", "uid": "1CsF2-1", "olduid": "CsF2-0f4680d4a768", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 0.010355807300504338, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 0.9750568486978455, "efermi": -6.988870166291718, "minhessianeig": -0.7105678647469696, "dyn_stab": "No", "alphax_el": 2.796255009330723, "alphay_el": 2.7570673115767304, "alphaz_el": 0.10648355120602955, "plasmafrequency_x": 5.713364046331913, "plasmafrequency_y": 5.752433827966362, "is_magnetic": true, "spin_axis": "x", "dE_zx": 2.035970415306565, "dE_zy": 2.0340315455200653, "ehull": 0.09145931602924495, "hform": -1.7219395547210994}


unique_id: 4ebc0f8e65fc5728b6bce15535fc7781
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/RhS2/Rh2S4-0e1f9e13a445", "uid": "2RhS2-2", "olduid": "Rh2S4-0e1f9e13a445", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 0.6393836674936235, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.5268861250723935, "efermi": -5.375768150898301, "minhessianeig": -5.303139088491951, "dyn_stab": "No", "alphax_el": 12.78567660784587, "alphay_el": 12.685164953070258, "alphaz_el": 0.28660782348575053, "plasmafrequency_x": 3.7821276687172767, "plasmafrequency_y": 5.236509120980716, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2470619035000179, "hform": -0.19787121126647497}


unique_id: 696f3477b9c479de510ccaf48c1f6dcc
username: cmr
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unique_id: 7839db659b797d6ee28318800fab9994
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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