# systems

unique_id: 819ba2e298576282cd4004bb6a19f432
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/PbSeS4/Pb2Se2S8-560c8599ba19", "uid": "2PbSeS4-1", "olduid": "Pb2Se2S8-188299da3355", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 5.541834044486524, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.16315696835650537, "hform": -0.031000397929124308}


unique_id: bcaa1e1d733708651a81ca6c989e1d54
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/IKCl4/I2K2Cl8-4ca5e00a1545", "uid": "2IKCl4-1", "olduid": "I2K2Cl8-01678aeb13d4", "international": "P4/mbm", "number": 127, "has_inversion_symmetry": true, "lgnum": 63, "layergroup": "p4/mbm", "bravais_type": "Square (tp)", "thickness": 3.4867381021247805, "label": "Lyngby22_LDP", "gap": 2.454893916365384, "gap_dir": 2.454893916365384, "gap_dir_nosoc": 2.5207715089525444, "evac": 1.4717231137593045, "efermi": -6.260399505533027, "vbm": -7.487846463715719, "cbm": -5.032952547350336, "minhessianeig": -4.506024218922476e-17, "dyn_stab": "Yes", "gap_hse": 3.5713791528926633, "gap_dir_hse": 3.5713791528926633, "efermi_hse": -6.553525280381322, "vbm_hse": -8.339214856827654, "cbm_hse": -4.76783570393499, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0024375808136693302, "hform": -0.8152303429964004}


unique_id: 1c2bf312172784a431e3c67bcb0a1107
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/HfSnSe4/Hf2Sn2Se8-fb35666ad8ec", "uid": "2HfSnSe4-1", "olduid": "Hf2Sn2Se8-29fc8400c118", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 7.189192492575064, "label": "Lyngby22_LDP", "gap": 0.9462178695329146, "gap_dir": 1.067229614273695, "gap_dir_nosoc": 1.1321914467485545, "evac": 2.1356669930591474, "efermi": -4.566265956639792, "vbm": -5.039374891406249, "cbm": -4.093157021873335, "minhessianeig": -3.4097313445182996e-13, "dyn_stab": "Yes", "gap_hse": 1.613948633220376, "gap_dir_hse": 1.6617853331337658, "efermi_hse": -4.4988958195006195, "vbm_hse": -5.3058701361108085, "cbm_hse": -3.691921502890432, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04406721297956118, "hform": -0.8041658850900385}


unique_id: 561b4f7d4386b6db17640b1a1fa140d2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/FeTeO4/Fe2Te2O8-1a9e87764fb6", "uid": "2FeTeO4-1", "olduid": "Fe2Te2O8-05f62ea7b472", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 3.857311818855065, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1462854366002606, "hform": -0.9773065197354427}


unique_id: 290034791fe4096eb15302118aed1e01
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC4/GaLiS4/GaLiS4-1bd70d8e490d", "uid": "1GaLiS4-1", "olduid": "GaLiS4-36ef2f311e66", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 1.9333409285400052, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.3425907811029704, "hform": -0.34402250181467114}


unique_id: e976cede259a5bbcf417c4017d4f63ad
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/MoVS4/Mo2V2S8-cd2dea0b955e", "uid": "2MoVS4-1", "olduid": "Mo2V2S8-732839735071", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 27, "layergroup": "pm2m", "bravais_type": "Rectangular (op)", "thickness": 3.059877738073511, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.250799630256864, "efermi": -5.97970138158737, "minhessianeig": -2.5682873013993654e-15, "dyn_stab": "Yes", "alphax_el": 17.64602399167834, "alphay_el": 6.392011379878893, "alphaz_el": 0.371641407827909, "plasmafrequency_x": 3.092222579396153, "plasmafrequency_y": 4.261590102278342, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.01975451151017064, "hform": -0.8802948439151118}


unique_id: e0a6ca1f936a8d1936198a9e94b6e57d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC4/NiTaSe4/NiTaSe4-11cab5887781", "uid": "1NiTaSe4-1", "olduid": "NiTaSe4-2145f84d06f3", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 3.42893511034206, "label": "Lyngby22_CDVAE", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.8848726177369057, "efermi": -4.9093066950956, "minhessianeig": -1.4121192441817036e-15, "dyn_stab": "Yes", "alphax_el": 255.01780688292448, "alphay_el": 71.59959176619974, "alphaz_el": 0.5044386350371368, "plasmafrequency_x": 4.132852738470608, "plasmafrequency_y": 4.4466988789789115, "is_magnetic": true, "spin_axis": "y", "dE_zx": -0.12639699707506225, "dE_zy": 0.16865978909663681, "halfmetal_gap": 0.0, "halfmetal_gap_dir": 0.0, "ehull": 0.09734817021383924, "hform": -0.5018316313222234}


unique_id: bea14f78c14fd737852144eab738efa7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/MoSnO4/MoSnO4-d557590dbf76", "uid": "1MoSnO4-1", "olduid": "MoSnO4-446329c803b3", "international": "Cmm2", "number": 35, "has_inversion_symmetry": false, "lgnum": 26, "layergroup": "cmm2", "bravais_type": "Centered rectangular (oc)", "thickness": 1.888155774747581, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.13236911138399243, "hform": -1.7206463258612008}


unique_id: 84ccee9225a8d9cc30f13dab41fdcda1
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC4/AuInF4/AuInF4-0c4a6fb201f1", "uid": "1AuInF4-1", "olduid": "AuInF4-301f3625a64d", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 2.3498712038114284, "label": "Lyngby22_CDVAE", "gap": 1.0527197748268682, "gap_dir": 1.9724627840381617, "gap_dir_nosoc": 2.409732620500646, "evac": 2.1711902254372673, "efermi": -5.76730730051465, "vbm": -6.293667187928085, "cbm": -5.240947413101217, "minhessianeig": -3.284126060527942e-15, "dyn_stab": "Yes", "gap_hse": 2.1062605165932977, "gap_dir_hse": 3.4411545644964647, "efermi_hse": -5.924877984926788, "vbm_hse": -6.978008243223437, "cbm_hse": -4.871747726630139, "alphax_el": 0.7962786936272083, "alphay_el": 0.5981786938597744, "alphaz_el": 0.18524655248570013, "alphax_lat": 0.9922781607652438, "alphax": 1.7885568543924522, "alphay_lat": 0.8243022873744377, "alphay": 1.422480981234212, "alphaz_lat": 0.05678941623146933, "alphaz": 0.24203596871716945, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07905396518342507, "hform": -1.9107275445662308}


unique_id: 714a964a9d48de0ce1e8fbffce883e57
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/AsSbS4/As2Sb2S8-0b495ef23371", "uid": "2AsSbS4-2", "olduid": "As2Sb2S8-933b07302fbf", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.40519353826857, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.1940528383699641, "hform": 0.020861228431822216}


unique_id: bda409fe6bdf44d90e9b7856aaa2c0d6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/AsSbS4/As2Sb2S8-66530cec6817", "uid": "2AsSbS4-1", "olduid": "As2Sb2S8-cb516ff161e6", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 5.155812952439501, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.10130442639209451, "hform": -0.07188718354604735}


unique_id: d471b04293bc5cd25e31de6ab4f926c4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/SnWO4/SnWO4-cdace9555223", "uid": "1SnWO4-1", "olduid": "SnWO4-488ec89e39d3", "international": "Cmm2", "number": 35, "has_inversion_symmetry": false, "lgnum": 26, "layergroup": "cmm2", "bravais_type": "Centered rectangular (oc)", "thickness": 1.9130924285661521, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14667756237778087, "hform": -1.805088312164191}


unique_id: 3914586682cec9330853f90f8c8cf37f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC4/HfRuCl4/HfRuCl4-51d43be881d0", "uid": "1HfRuCl4-1", "olduid": "HfRuCl4-94daaf18f4d3", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 4, "layergroup": "p11m", "bravais_type": "Oblique (mp)", "thickness": 3.7026149386170495, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.3703491836649982, "hform": -1.1620071384789015}


unique_id: d41815507828ea982c0cf1735d97bd4c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Zr4Ge4Te16", "uid": "2GeZrTe4-1", "olduid": "Ge2Zr2Te8-8bcf3721c34d", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 7.451306610798868, "label": "exfoliated02-21", "gap": 0.5215688801928247, "gap_dir": 0.5528727297405689, "gap_dir_nosoc": 0.7256323271096401, "evac": 2.286302181317878, "efermi": -4.293061137584374, "vbm": -4.553845577680786, "cbm": -4.032276697487962, "minhessianeig": -8.855312087241514e-13, "dyn_stab": "Yes", "gap_hse": 1.1163873980643588, "gap_dir_hse": 1.1163873980643588, "efermi_hse": -4.247554021133049, "vbm_hse": -4.805747720165229, "cbm_hse": -3.6893603221008697, "cod_id": 2215468, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial", "ehull": 0.007381627583946819, "hform": -0.5219378890564391}


unique_id: dae0364a5531cc72ebfaf433c12dc65d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC4/CdPdCl4/CdPdCl4-68ff72a40a6d", "uid": "1CdPdCl4-1", "olduid": "CdPdCl4-f3c6303f41bb", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 3.1107995186694524, "label": "Lyngby22_CDVAE", "gap": 1.183183043029656, "gap_dir": 1.3789393510022165, "gap_dir_nosoc": 1.4228445379043553, "evac": 2.732962601546734, "efermi": -5.915623168116474, "vbm": -6.507214689631301, "cbm": -5.324031646601645, "minhessianeig": -1.5040083212707365e-15, "dyn_stab": "Yes", "gap_hse": 2.8129063511274874, "gap_dir_hse": 3.0396501745128517, "efermi_hse": -6.337467766455808, "vbm_hse": -7.743920942019552, "cbm_hse": -4.931014590892065, "alphax_el": 1.0324876791354085, "alphay_el": 1.5834723512853317, "alphaz_el": 0.2992097050226269, "alphax_lat": 4.041927312297868, "alphax": 5.074414991433276, "alphay_lat": 2.2299518506900107, "alphay": 3.8134242019753426, "alphaz_lat": 0.04575380890972463, "alphaz": 0.34496351393235153, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.016288291048731345, "hform": -0.7999536916475473}


unique_id: 402e7923a136217e788ef21490b5cebf
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC4/BiGeBr4/BiGeBr4-3d0843475022", "uid": "1BiGeBr4-1", "olduid": "BiGeBr4-23e1eeaaa351", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 5.223562247046014, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.13680457174134375, "hform": -0.5427452468141741}


unique_id: 50fe0d2f5bac31fa845eaf6960e7ec28
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC4/SiZrTe4/Si2Zr2Te8-aac17000f6c5", "uid": "2SiZrTe4-1", "olduid": "Si2Zr2Te8-5ae31a2f2244", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 7.398685894081517, "label": "Lyngby22_LDP", "gap": 0.5738062786754543, "gap_dir": 0.5738062786754543, "gap_dir_nosoc": 0.7132592997629568, "evac": 2.2961005113376194, "efermi": -4.272462423573625, "vbm": -4.559365562911352, "cbm": -3.9855592842358973, "minhessianeig": -1.8276335762511203e-13, "dyn_stab": "Yes", "gap_hse": 1.1913371339059424, "gap_dir_hse": 1.1913371339059424, "efermi_hse": -4.220507467047209, "vbm_hse": -4.81617603400018, "cbm_hse": -3.624838900094238, "alphax_el": 9.307948596013704, "alphay_el": 7.506767411124183, "alphaz_el": 0.6068349796227156, "alphax_lat": 3.7685814174411694, "alphax": 13.076530013454873, "alphay_lat": 1.2199104168792116, "alphay": 8.726677828003394, "alphaz_lat": 0.007864223905189338, "alphaz": 0.614699203527905, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.005340914053510633, "hform": -0.48708398141834824}


unique_id: e4338f7b4d96460daa7d25978328828a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/3el/Nb4Os4Te16", "uid": "2NbOsTe4-1", "olduid": "Nb2Os2Te8-e032f80372d6", "international": "P2_1/m", "number": 11, "has_inversion_symmetry": true, "lgnum": 15, "layergroup": "p2_1/m11", "bravais_type": "Rectangular (op)", "thickness": 4.175397698846355, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.442902104119849, "efermi": -4.58649636556585, "minhessianeig": -1.0395427220621676, "dyn_stab": "No", "icsd_id": 656450, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0012477365098237936, "hform": -0.2740266958896373}


unique_id: e572db17b922a704245100f285fda1e8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/ABC4/HfZrSe4/Hf2Zr2Se8-81af2831dbb2", "uid": "2HfZrSe4-1", "olduid": "Hf2Zr2Se8-81af2831dbb2", "international": "Pma2", "number": 28, "has_inversion_symmetry": false, "lgnum": 31, "layergroup": "pm2a", "bravais_type": "Rectangular (op)", "thickness": 3.464651423306215, "label": "original03-18", "gap": 0.8413855553191263, "gap_dir": 0.867487194429353, "gap_dir_nosoc": 0.9564151765359288, "evac": 4.025228877421731, "efermi": -5.8554878438934335, "vbm": -6.276180621552998, "cbm": -5.434795066233871, "minhessianeig": -1.5889110969631593e-15, "dyn_stab": "Yes", "gap_hse": 1.7148782567971728, "gap_dir_hse": 1.7572341189062743, "efermi_hse": -5.942966532918041, "vbm_hse": -6.804634661971177, "cbm_hse": -5.089756405174004, "alphax_el": 4.8081926869999645, "alphay_el": 4.729648812527958, "alphaz_el": 0.4027441446922024, "alphax_lat": 3.3003529461453045, "alphax": 8.108545633145269, "alphay_lat": 3.1633903882474774, "alphay": 7.893039200775435, "alphaz_lat": 0.018200903692659486, "alphaz": 0.42094504838486185, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "is_ferroelectric": true, "P_spontaneous_norm": 579.3006749252223, "ehull": 0.16095791305804616, "hform": -1.2004163392414284}


unique_id: 731d03c52e5aab34cc9844774977db97
username: cmr
calculator: unknown
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key_value_pairs:
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