# systems

unique_id: a4d8627f3258d134c0d5a0cbc2a25b31
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Cd2Cl2H2O2", "uid": "1CdClHO-1", "olduid": "CdClHO-ad2d9610518a", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.528932874382555, "label": "exfoliated02-21", "gap": 2.516984536306866, "gap_dir": 2.516984536306866, "gap_dir_nosoc": 2.541279579465799, "evac": 1.2898698199008172, "efermi": -4.87138445494627, "vbm": -6.129876723099703, "cbm": -3.6128921867928376, "minhessianeig": -4.629503346797975e-14, "dyn_stab": "Yes", "gap_hse": 3.773512541474132, "gap_dir_hse": 3.773512541474132, "efermi_hse": -5.2707453393706665, "vbm_hse": -7.157501610107732, "cbm_hse": -3.3839890686336007, "alphax_el": 1.0334990489462854, "alphay_el": 1.0307979689743527, "alphaz_el": 0.2831200334817758, "alphax_lat": 2.164812415356544, "alphax": 3.1983114643028294, "alphay_lat": 2.143878519275245, "alphay": 3.174676488249598, "alphaz_lat": 0.04841044197375569, "alphaz": 0.3315304754555315, "cod_id": 1520991, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03269194871847092, "hform": -1.0709829815274525}


unique_id: a9388ea4657fe28441ee40dedd71129d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/BrLiNTi/Br2Li2N2Ti2-e22d27a44f5a", "uid": "2BrLiNTi-1", "olduid": "Br2Li2N2Ti2-7edd396894df", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 6.044691334448354, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.418645909060512, "efermi": -2.9909012975391946, "minhessianeig": -0.05064422201365857, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.018554128704372896, "hform": -1.3774867340149086}


unique_id: 5cbe42d19cd0f45231d0d79ad60b9274
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/FLiNTi/F2Li2N2Ti2-f0cd943b1d33", "uid": "2FLiNTi-1", "olduid": "F2Li2N2Ti2-acffdcfbee47", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 5.240707879520896, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.26766450110273654, "hform": -1.8586895820875764}


unique_id: 86531552ac4b4927f18363a5f0564948
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/CdFHS/CdFHS-ade5efd51abe", "uid": "1CdFHS-1", "olduid": "CdFHS-07737631d3e8", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.5560337554268298, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.177366591438616, "hform": -0.9244754681027616}


unique_id: 4bbc44eff6176c98499e0207a2036cc3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AuBrCdS/Au2Br2Cd2S2-b2904ef78580", "uid": "2AuBrCdS-1", "olduid": "Au2Br2Cd2S2-d400c6c7a3a6", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 5.0397266449355875, "label": "Lyngby22_LDP", "gap": 1.4579914971916796, "gap_dir": 1.4930480218630384, "gap_dir_nosoc": 1.6179379194689427, "evac": 1.5798216070175648, "efermi": -5.3420575708897475, "vbm": -6.071053319485587, "cbm": -4.613061822293908, "dyn_stab": "Unknown", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.12159242388061087, "hform": -0.4191620024951659}


unique_id: 609b4991d768e57d45dd0c68a4f7a1ad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AuBrFS/Au4Br4F4S4-4fb42fdbc72f", "uid": "4AuBrFS-1", "olduid": "Au4Br4F4S4-8533e06056b4", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 4.598421676097921, "label": "Lyngby22_LDP", "gap": 0.8740828042799209, "gap_dir": 0.9676486858391704, "gap_dir_nosoc": 0.9770006960873117, "evac": 1.7113998095530278, "efermi": -6.037466873839486, "vbm": -6.474508275979446, "cbm": -5.600425471699525, "minhessianeig": -7.949345805975308e-16, "dyn_stab": "Yes", "gap_hse": 1.4377994618571788, "gap_dir_hse": 1.553414851368892, "efermi_hse": -6.27210347225663, "vbm_hse": -6.991003203185219, "cbm_hse": -5.55320374132804, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07312784198033295, "hform": -0.5361736176560279}


unique_id: 94b83a04de8cb4a97a54c68fc1c680bf
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD/AuBrISe/AuBrISe-0b71f90f71d2", "uid": "1AuBrISe-1", "olduid": "AuBrISe-73e531bf388a", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 4.630551868124115, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.1938987889474433, "hform": 0.05736320727128508}


unique_id: 3af598081787a8768bada5cd858e0e0a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/BrCdCuS/Br2Cd2Cu2S2-18af64a5045e", "uid": "2BrCdCuS-1", "olduid": "Br2Cd2Cu2S2-9e559644937f", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 4.848914591051791, "label": "Lyngby22_LDP", "gap": 0.9438581467310061, "gap_dir": 0.9438581467310061, "gap_dir_nosoc": 0.9614889183783428, "evac": 1.588616722812469, "efermi": -4.65379328132566, "vbm": -5.125722354691163, "cbm": -4.181864207960157, "minhessianeig": -1.2168479797363223e-12, "dyn_stab": "Yes", "gap_hse": 2.57315913661742, "gap_dir_hse": 2.5752120944816284, "efermi_hse": -5.274053916395928, "vbm_hse": -6.560633484704638, "cbm_hse": -3.987474348087218, "alphax_el": 2.8698317708455336, "alphay_el": 3.1656995934746153, "alphaz_el": 0.43485426324173115, "alphax_lat": 2.217103422323086, "alphax": 5.086935193168619, "alphay_lat": 2.809138663927597, "alphay": 5.974838257402212, "alphaz_lat": 0.03849237342725384, "alphaz": 0.473346636668985, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.059930488616399935, "hform": -0.5100752236918829}


unique_id: 5e0f3b333cebecac600ad280f0916750
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AgBrCdTe/Ag2Br2Cd2Te2-5ac4b6ac8603", "uid": "2AgBrCdTe-1", "olduid": "Ag2Br2Cd2Te2-610403aef371", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 4.091455564944386, "label": "Lyngby22_LDP", "gap": 1.242189586928709, "gap_dir": 1.242189586928709, "gap_dir_nosoc": 1.2683344060391741, "evac": 1.5170510670647073, "efermi": -4.71432009290557, "vbm": -5.335414886369925, "cbm": -4.093225299441216, "minhessianeig": -2.411264792594629e-13, "dyn_stab": "Yes", "gap_hse": 2.11363621412074, "gap_dir_hse": 2.11363621412074, "efermi_hse": -4.925463048532725, "vbm_hse": -5.982281155593095, "cbm_hse": -3.868644941472356, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06182809790825794, "hform": -0.4186225941217203}


unique_id: c431492b547621aef60ca602eded5966
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD/CuFeITe/CuFeITe-a233fcf48b42", "uid": "1CuFeITe-1", "olduid": "CuFeITe-c718fe46653c", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.048310087726197, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.21402663472391326, "hform": 0.058501431963154715}


unique_id: e535bb5997eb6e73c8dc11ceed550943
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/BrCuNO/Br2Cu2N2O2-b18a40801485", "uid": "2BrCuNO-1", "olduid": "Br2Cu2N2O2-722119fb037d", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 7.448203585910264, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.24343020306994745, "hform": -0.0720865620521014}


unique_id: 2a5bfdeeb9b8ca1a09c3f735160f96af
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AuFHO/Au4F4H4O4-558136dad6ac", "uid": "4AuFHO-1", "olduid": "Au4F4H4O4-28ee6c8ae451", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.092921532031665, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.8696319843121973, "hform": 0.03827355224392459}


unique_id: f1f0f33dbfb4cc3f95e685efe5ec6326
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/CdCuFTe/Cd2Cu2F2Te2-5316e53d6597", "uid": "2CdCuFTe-1", "olduid": "Cd2Cu2F2Te2-b43da4cce17a", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 4.237249855277746, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.18056500569854483, "hform": -0.8190559054024082}


unique_id: 808fee5fdfaff01e4a15d8a927dbe087
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD/CaHIO/CaHIO-09c183c99422", "uid": "1CaHIO-1", "olduid": "CaHIO-d3008d393b76", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 3.683216918155132, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.14141464027566109, "hform": -1.6945024701790699}


unique_id: d0f379977822d79ae65fca9bf75248b9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AuFHgTe/Au2F2Hg2Te2-3001435412de", "uid": "2AuFHgTe-1", "olduid": "Au2F2Hg2Te2-222a3f14e0a5", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 4.422024784387943, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.20755859147232925, "hform": -0.558140890827663}


unique_id: 4241377fd8dfeb094c82fa5cba2ed133
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/elrashidy24-tree/ABCD/BrClOV/BrClOV-fcf360a0981c", "uid": "1BrClOV-1", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "thickness": 3.3829575004109937, "gap": 0.7844737250575546, "gap_dir": 0.8152626468511084, "gap_dir_nosoc": 0.8147826620850336, "evac": 1.61646749938702, "efermi": -5.681093918596635, "vbm": -6.073330781125412, "cbm": -5.288857056067857, "minhessianeig": -5.484723866231721e-14, "dyn_stab": "Yes", "gap_hse": 3.074919306311529, "gap_dir_hse": 3.14798524581886, "efermi_hse": -5.874702583072212, "vbm_hse": -7.412162236227976, "cbm_hse": -4.337242929916448, "alphax_el": 2.2202674297039544, "alphay_el": 1.6076322967758545, "alphaz_el": 0.33912404385027245, "alphax_lat": 2.8166012309780744, "alphax": 5.036868660682028, "alphay_lat": 0.7093498711213179, "alphay": 2.3169821678971725, "alphaz_lat": 0.023600765904452568, "alphaz": 0.36272480975472504, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.007994098496055813, "dE_zy": -0.035625185546450666, "J": -13.776606383316903, "lam": 0.013644578416460718, "A": 0.0, "spin": 0.5, "N_nn": 4, "ehull": 0.0024185923150672473, "hform": -1.5336768886985706}


unique_id: e41f23f392f33f1c57950fe97917540c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD/HfSTeZn/HfSTeZn-7c9535441d57", "uid": "1HfSTeZn-1", "olduid": "HfSTeZn-faa767fb58f0", "international": "P3m1", "number": 156, "has_inversion_symmetry": false, "lgnum": 69, "layergroup": "p3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.518492282821642, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.4430476688124102, "hform": -0.4858029762487175}


unique_id: a172c3b40e05a8672b32834c29d55393
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABCD/BrPbSSr/BrPbSSr-7e986f205cea", "uid": "1BrPbSSr-1", "olduid": "BrPbSSr-b2e86a4794ef", "international": "Cm", "number": 8, "has_inversion_symmetry": false, "lgnum": 13, "layergroup": "cm11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.823447606566116, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2742281487019922, "hform": -1.2242782150573124}


unique_id: e500d72b5a7b4bc948d60d7f37c2dadf
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AgBrFO/Ag4Br4F4O4-ade972c47fe4", "uid": "4AgBrFO-1", "olduid": "Ag4Br4F4O4-5f3402f0aa07", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 6.116819324582396, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.33756487468879093, "hform": -0.22055811993516716}


unique_id: 2c53fac90e5515a169a86dfa8534857d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/CuFHgSe/Cu2F2Hg2Se2-7a89339d97de", "uid": "2CuFHgSe-1", "olduid": "Cu2F2Hg2Se2-707cccbd40cb", "international": "Pmc2_1", "number": 26, "has_inversion_symmetry": false, "lgnum": 28, "layergroup": "pm2_1b", "bravais_type": "Rectangular (op)", "thickness": 3.902868291699754, "label": "Lyngby22_LDP", "gap": 0.5234881293164708, "gap_dir": 0.5234881293164708, "gap_dir_nosoc": 0.5234364224407355, "evac": 1.4254921445433661, "efermi": -4.468303799782676, "vbm": -4.730047864440912, "cbm": -4.206559735124441, "minhessianeig": -3.32686744129178e-14, "dyn_stab": "Yes", "gap_hse": 2.0025725641079926, "gap_dir_hse": 2.0025725641079926, "efermi_hse": -5.1625660553412445, "vbm_hse": -6.163852337395241, "cbm_hse": -4.161279773287249, "alphax_el": 3.5259420248277262, "alphay_el": 3.3698431495682764, "alphaz_el": 0.4091569644377214, "alphax_lat": 6.922565850261243, "alphax": 10.44850787508897, "alphay_lat": 2.2223845183039566, "alphay": 5.592227667872233, "alphaz_lat": 0.035926615354743695, "alphaz": 0.4450835797924651, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.038487406369642096, "hform": -0.6983838756287493}


unique_id: eb69d03e488462dd1b46adc201d274f4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABCD/AuClHO/Au4Cl4H4O4-ad9942be1eca", "uid": "4AuClHO-1", "olduid": "Au4Cl4H4O4-598397e58fcb", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 6.1744395314376685, "label": "Lyngby22_LDP", "gap": 0.04242898262637196, "gap_dir": 0.04242898262637196, "gap_dir_nosoc": 0.0, "evac": 1.9518926769346703, "efermi": -5.539402686185414, "vbm": -5.5606171774986, "cbm": -5.518188194872228, "minhessianeig": -0.2554214037252638, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07859004974564665, "hform": -0.4499744361983158}


unique_id: bf5260d9b792f0ec006e7aa7b2895b93
username: cmr
calculator: unknown
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