# systems

unique_id: f0b798d4a5f05dc7e8e318a13f4f2af8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/SnS2/SnS2-8f2fa65321f0", "uid": "1SnS2-3", "olduid": "SnS2-8f2fa65321f0", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.228362532809033, "label": "original03-18", "gap": 0.7625374038049233, "gap_dir": 1.078315159891648, "gap_dir_nosoc": 1.082767560730312, "evac": 3.784200018124422, "efermi": -6.005650953606812, "vbm": -6.386919655509274, "cbm": -5.6243822517043505, "minhessianeig": -1.651854676304907, "dyn_stab": "No", "gap_hse": 1.4547148994936003, "gap_dir_hse": 1.7784657795099337, "efermi_hse": -6.167218350515512, "vbm_hse": -6.894042719842696, "cbm_hse": -5.439327820349097, "gap_gw": 2.288278398597215, "gap_dir_gw": 2.4785356705879926, "efermi_gw": -6.465022600103477, "vbm_gw": -7.48694508184094, "cbm_gw": -5.198666683243725, "E_B": 1.1413265975841274, "alphax_el": 3.5612016959013326, "alphay_el": 3.561201695901335, "alphaz_el": 0.3941461171293249, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "doi": "10.1039/C6TA08327G", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.2864884934524354, "hform": -0.1150411326754212}


unique_id: d073276c67d24bc5952c4ed542eb35f7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/AgTe2/AgTe2-76c24a37e9de", "uid": "1AgTe2-1", "olduid": "AgTe2-76c24a37e9de", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 4.745373130278909, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.710204740565201, "efermi": -4.724122932356681, "minhessianeig": -1.5927045918847852e-12, "dyn_stab": "Yes", "alphax_el": 357.77206269830003, "alphay_el": 535.8574163298738, "alphaz_el": 0.5783459374712518, "plasmafrequency_x": 18.311016429490298, "plasmafrequency_y": 18.34942446656447, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05156690832448016, "hform": 0.017454342820979463}


unique_id: 1b1a6b632b40764f591de5f6c9b6f090
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/AgTe2/AgTe2-7b4e6cd4725f", "uid": "1AgTe2-3", "olduid": "AgTe2-ee52df22545a", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.8001242305941396, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2315186542519537, "hform": 0.197406088748453}


unique_id: 804173062b9c05376eaf64fb5bc54a8e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/AgTe2/AgTe2-31cdf6c464a8", "uid": "1AgTe2-2", "olduid": "AgTe2-e43d42f7951e", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.607008857252613, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.21715385104359708, "hform": 0.18304128554009638}


unique_id: 5b9dfee78912cc2336919fa252018136
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/CrP2/CrP2-fc536e6ded90", "uid": "1CrP2-2", "olduid": "CrP2-bc663f88eb5c", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 3.5581736755791376, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.4765595724226384, "hform": 0.04535442338592451}


unique_id: ad8082e0ee72a022ccff3b22c600ea65
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/CrP2/CrP2-6ca9449c46da", "uid": "1CrP2-1", "olduid": "CrP2-ac6cf0c15a8a", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.438094546676145, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.42379151183460334, "hform": -0.007413637202110597}


unique_id: 384b1cb7d40a476f518ab6b2233fd12e
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/RhSe2/Rh4Se8-af61e881e0fa", "uid": "4RhSe2-1", "olduid": "Rh4Se8-af61e881e0fa", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 2.9756021590196085, "label": "original03-18", "gap": 0.5825120467774565, "gap_dir": 0.636734998157501, "gap_dir_nosoc": 0.633787855012049, "evac": 3.770628490631459, "efermi": -5.198996443334066, "vbm": -5.4902524667227945, "cbm": -4.907740419945338, "minhessianeig": -4.027320042041117e-15, "dyn_stab": "Yes", "gap_hse": 1.04627650186108, "gap_dir_hse": 1.1053079994498547, "efermi_hse": -5.465822638774876, "vbm_hse": -5.988960889705416, "cbm_hse": -4.942684387844336, "alphax_el": 9.810478488581678, "alphay_el": 8.844835232127654, "alphaz_el": 0.4091549935355604, "alphax_lat": 1.0540661325976723, "alphax": 10.86454462117935, "alphay_lat": 0.546623723594339, "alphay": 9.391458955721992, "alphaz_lat": 0.0010191573839830013, "alphaz": 0.4101741509195434, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Trivial\n", "ehull": 0.03368193762578479, "hform": -0.4042236007679616}


unique_id: 641e7428dd4a3ac32ab30c216ae3bc83
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/MgF2/MgF2-7c0b9417a42e", "uid": "1MgF2-2", "olduid": "MgF2-5c7406093e6c", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 1.7638486304645493, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.19635377009474494, "hform": -3.4332166835070783}


unique_id: 9609a586402e8b10f9f9ff8a09c1fe8a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/MgF2/MgF2-d45d7100d42c", "uid": "1MgF2-1", "olduid": "MgF2-e0a1d3467cdf", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.9061630106753888, "label": "Lyngby22_LDP", "gap": 7.534444494178011, "gap_dir": 7.7676843818469825, "gap_dir_nosoc": 7.77296540839082, "evac": 2.1445882068080246, "efermi": -6.047842812359402, "vbm": -9.815065059448408, "cbm": -2.2806205652703966, "minhessianeig": -1.4577753973807398e-14, "dyn_stab": "Yes", "gap_hse": 9.796043658608728, "gap_dir_hse": 10.011057595551698, "efermi_hse": -6.810395378521806, "vbm_hse": -11.70841720782617, "cbm_hse": -1.9123735492174418, "alphax_el": 0.31266115766927915, "alphay_el": 0.3126611576692791, "alphaz_el": 0.1542531845719946, "alphax_lat": 0.9249524813907687, "alphax": 1.2376136390600478, "alphay_lat": 0.925452755728723, "alphay": 1.2381139133980021, "alphaz_lat": 0.10722776571592364, "alphaz": 0.26148095028791823, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07071396287776999, "hform": -3.5588564907240534}


unique_id: 6b6b49621974f7e946c3f1107b6623df
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/MgF2/MgF2-e5d695412217", "uid": "1MgF2-3", "olduid": "MgF2-8623c4ca653c", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.282127131001509, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.38227311297438266, "hform": -3.2472973406274406}


unique_id: bb0e844eb7500e801cbb80cd8a92943d
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CoTe2/CoTe2-05c4ed446e87", "uid": "1CoTe2-1", "olduid": "CoTe2-05c4ed446e87", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 2.9132152396870277, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.230643876299438, "efermi": -4.901127265697676, "minhessianeig": -0.760691169040046, "dyn_stab": "No", "alphax_el": 22.835860007259498, "alphay_el": 22.835860007259495, "alphaz_el": 0.48038042459231106, "plasmafrequency_x": 5.606159068459127, "plasmafrequency_y": 5.606159068459128, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07267753119333757, "hform": -0.1497181760213889}


unique_id: dab60c9619d3329e1d58e7e3cabc1fa0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CoTe2/CoTe2-37210b8290fa", "uid": "1CoTe2-3", "olduid": "CoTe2-37210b8290fa", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 3.6395985164489337, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.167947451555516, "efermi": -4.378944568888748, "minhessianeig": -3.055811621166578, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3670971310477699, "hform": 0.14470142383304344}


unique_id: f250fd99813e41a95edb3ad8baf9b1ae
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CoTe2/CoTe2-538af86b9264", "uid": "1CoTe2-2", "olduid": "CoTe2-538af86b9264", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.990148425984625, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 4.166402403629451, "efermi": -4.335778582098835, "minhessianeig": -2.480299431910441e-15, "dyn_stab": "Yes", "alphax_el": 18.9721356852315, "alphay_el": 18.972135685231493, "alphaz_el": 0.5116194411854754, "plasmafrequency_x": 6.677711387215142, "plasmafrequency_y": 6.677711387215142, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.15980658171965345, "hform": -0.062589125495073}


unique_id: efb431309fe8f38470fb7ba404a62f35
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Cr2F4", "uid": "2CrF2-1", "olduid": "Cr2F4-ebdf3d77e0b6", "international": "P2_1/c", "number": 14, "has_inversion_symmetry": true, "lgnum": 17, "layergroup": "p2_1/b11", "bravais_type": "Rectangular (op)", "thickness": 1.8597718593561616, "label": "exfoliated02-21", "gap": 1.396367589055298, "gap_dir": 1.4074480782673016, "gap_dir_nosoc": 1.4093747192544943, "evac": 1.1223968597294744, "efermi": -4.388532103537342, "vbm": -5.086715898064991, "cbm": -3.6903483090096927, "minhessianeig": -2.471099098011604e-15, "dyn_stab": "Yes", "gap_hse": 4.279998908163588, "gap_dir_hse": 4.279998908163588, "efermi_hse": -4.520682493926867, "vbm_hse": -6.660681948008661, "cbm_hse": -2.3806830398450733, "alphax_el": 1.020635252588592, "alphay_el": 0.9384299136996811, "alphaz_el": 0.6270182905141273, "alphax_lat": 1.2060136399206365, "alphax": 2.2266488925092283, "alphay_lat": 0.6930097091125305, "alphay": 1.6314396228122114, "alphaz_lat": 0.04842163563767102, "alphaz": 0.6754399261517983, "cod_id": 9009095, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.15491345550344704, "dE_zy": -0.5875144987044223, "J": 0.03563829973529664, "lam": -0.0010881785126315435, "A": 0.06589995046368813, "spin": 2.0, "N_nn": 6, "ehull": 0.11661621862987677, "hform": -2.3293440352572365}


unique_id: a39f3e904fff97c0864523882cb8e3e6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/CrF2/Cr2F4-6b93d9e4e9b5", "uid": "2CrF2-2", "olduid": "Cr2F4-ee2f3a2794b3", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 1.9314862780856048, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.14373782673148247, "hform": -2.302222427155631}


unique_id: 866e430d91c276e6b9dd17419ea365a8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB2/ZrSe2/Zr2Se4-afca4ce7b7f3", "uid": "2ZrSe2-1", "olduid": "Zr2Se4-fdeece8ac588", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 3.106664863979688, "label": "Wang23", "gap": 0.25148288789609374, "gap_dir": 0.4342593989884411, "gap_dir_nosoc": 0.44101738818294356, "evac": 3.7186866939456777, "efermi": -5.103451041137771, "vbm": -5.229192485085818, "cbm": -4.977709597189724, "minhessianeig": -5.091178745628447e-15, "dyn_stab": "Yes", "gap_hse": 1.1313917683123111, "gap_dir_hse": 1.3425934835199496, "efermi_hse": -5.06948810993679, "vbm_hse": -5.635183994092946, "cbm_hse": -4.503792225780635, "alphax_el": 10.402143683296313, "alphay_el": 3.3500847247730743, "alphaz_el": 0.3795199747067319, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07999754473592564, "hform": -1.2872522861676188}


unique_id: 5f3aafa45ccb2cb32397563962d4b873
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CuO2/CuO2-0919e97be371", "uid": "1CuO2-2", "olduid": "CuO2-0919e97be371", "international": "P-4m2", "number": 115, "has_inversion_symmetry": false, "lgnum": 59, "layergroup": "p-4m2", "bravais_type": "Square (tp)", "thickness": 1.123782205576914, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.537675110542434, "efermi": -6.968018351263952, "dyn_stab": "Unknown", "plasmafrequency_x": 1.2329616117708169, "plasmafrequency_y": 1.2356228428573892, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.1342903949534957, "dE_zy": -0.13391806348295177, "ehull": 0.49737187115952014, "hform": 0.1399145188913972}


unique_id: 8f1c63bec04899106d5363b5be3833a7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CuO2/CuO2-69f96d60ecad", "uid": "1CuO2-3", "olduid": "CuO2-69f96d60ecad", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.1205758377738615, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.7089571826796304, "efermi": -7.583877305612462, "minhessianeig": -4.468759607533392, "dyn_stab": "No", "alphax_el": 13.824252115381391, "alphay_el": 13.824252115381395, "alphaz_el": 0.6424953912757314, "plasmafrequency_x": 4.374767823291591, "plasmafrequency_y": 4.374767823291592, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.27209616138179626, "dE_zy": -0.276987616786073, "J": -23.394507612238158, "lam": 0.2967624522227652, "A": 0.7170219060697036, "spin": 1.0, "N_nn": 1, "ehull": 0.6435313549044649, "hform": 0.286074002636342}


unique_id: f85282abe6b2c49617652290537fceef
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB2/CuO2/CuO2-88b0c3cd1645", "uid": "1CuO2-1", "olduid": "CuO2-88b0c3cd1645", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 1.891747878132386, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.77466524923574, "efermi": -7.724175390259081, "minhessianeig": -0.3707536861546582, "dyn_stab": "No", "alphax_el": 20.63408388279237, "alphay_el": 20.634083882792368, "alphaz_el": 0.4961836129732809, "plasmafrequency_x": 3.7347858491076797, "plasmafrequency_y": 3.7347858491076797, "is_magnetic": true, "spin_axis": "x", "dE_zx": 0.023790199804807344, "dE_zy": 0.02369248920786049, "J": 37.174048618624056, "lam": -0.010831367357392688, "A": 0.0, "spin": 0.5, "N_nn": 6, "ehull": 0.30344212714549634, "hform": -0.05401522512262661}


unique_id: e990e1c7581e99e416de17ca6d0f0eaf
username: cmr
calculator: unknown
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