{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=72","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=70","results":[{"id":"mp-989193","created_at":"2022-09-04T14:42:22.863506Z","structure_string":"Sn2 Br2 F2\n1.0\n4.106257 0.000000 0.000000\n0.000000 4.106257 0.000000\n0.000000 0.000000 7.898286\nSn Br F\n2 2 2\ndirect\n0.000000 0.500000 0.811655 Sn\n0.500000 0.000000 0.188345 Sn\n0.500000 0.000000 0.653113 Br\n0.000000 0.500000 0.346887 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sn","Br","F"],"chemical_system":"Br-F-Sn","density":5.426722674146268,"density_atomic":0.04505325157011013,"volume":133.17573739740033,"volume_molar":13.366717273732348,"formula_full":"Sn2 Br2 F2","formula_reduced":"SnBrF","formula_anonymous":"ABC","energy":-26.04279766,"energy_per_atom":-4.340466276666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.05079766,"band_gap":1.9941000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.202000Z","spacegroup":129},{"id":"mp-989192","created_at":"2022-09-04T14:44:50.015679Z","structure_string":"Sn2 Cl2 F2\n1.0\n4.054978 0.000000 0.000000\n0.000000 4.054978 0.000000\n0.000000 0.000000 7.363870\nSn Cl F\n2 2 2\ndirect\n0.000000 0.500000 0.796390 Sn\n0.500000 0.000000 0.203610 Sn\n0.500000 0.000000 0.650633 Cl\n0.000000 0.500000 0.349367 Cl\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sn","Cl","F"],"chemical_system":"Cl-F-Sn","density":4.749491031713359,"density_atomic":0.04955279238789354,"volume":121.08298464862872,"volume_molar":12.152979619916021,"formula_full":"Sn2 Cl2 F2","formula_reduced":"SnClF","formula_anonymous":"ABC","energy":-27.32781856,"energy_per_atom":-4.554636426666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.17581856,"band_gap":2.5486,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028419,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.138000Z","spacegroup":129},{"id":"mp-989191","created_at":"2022-09-04T14:41:59.231894Z","structure_string":"Sb2 O2 F2\n1.0\n3.912252 0.000000 0.000000\n0.000000 3.912252 0.000000\n0.000000 0.000000 5.693631\nSb O F\n2 2 2\ndirect\n0.000000 0.500000 0.713381 Sb\n0.500000 0.000000 0.286619 Sb\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sb","O","F"],"chemical_system":"F-O-Sb","density":5.97400115022545,"density_atomic":0.06885068897066338,"volume":87.14509745220623,"volume_molar":8.746667390018388,"formula_full":"Sb2 O2 F2","formula_reduced":"SbOF","formula_anonymous":"ABC","energy":-34.03442369,"energy_per_atom":-5.672403948333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.736423689999995,"band_gap":1.858700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.403000Z","spacegroup":129},{"id":"mp-989190","created_at":"2022-09-04T14:47:12.601783Z","structure_string":"Sc2 Br2 O2\n1.0\n3.635576 0.000000 0.000000\n0.000000 3.635576 0.000000\n0.000000 0.000000 8.568888\nSc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.121302 Sc\n0.500000 0.000000 0.878698 Sc\n0.000000 0.500000 0.682025 Br\n0.500000 0.000000 0.317975 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Sc","Br","O"],"chemical_system":"Br-O-Sc","density":4.13041542553273,"density_atomic":0.0529761421064501,"volume":113.25853037662912,"volume_molar":11.367646869979941,"formula_full":"Sc2 Br2 O2","formula_reduced":"ScBrO","formula_anonymous":"ABC","energy":-44.57749612,"energy_per_atom":-7.4295826866666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.13549612,"band_gap":3.3454,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000125,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.756000Z","spacegroup":129},{"id":"mp-989189","created_at":"2022-09-04T14:44:49.328600Z","structure_string":"Sb2 Br2 O2\n1.0\n3.835336 0.000000 0.000000\n0.000000 3.835336 0.000000\n0.000000 0.000000 8.770402\nSb Br O\n2 2 2\ndirect\n0.000000 0.500000 0.859768 Sb\n0.500000 0.000000 0.140232 Sb\n0.500000 0.000000 0.678768 Br\n0.000000 0.500000 0.321232 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Sb","Br","O"],"chemical_system":"Br-O-Sb","density":5.603226364882284,"density_atomic":0.04650770578488424,"volume":129.01087892299554,"volume_molar":12.94869454075994,"formula_full":"Sb2 Br2 O2","formula_reduced":"SbBrO","formula_anonymous":"ABC","energy":-29.957187250000004,"energy_per_atom":-4.992864541666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.515187250000004,"band_gap":1.6021,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.469000Z","spacegroup":129},{"id":"mp-989179","created_at":"2022-09-04T14:42:25.022432Z","structure_string":"Mo8 H2 S16\n1.0\n3.144754 0.000000 0.000000\n0.000000 13.034438 0.000000\n0.000000 0.000000 29.668735\nMo H S\n8 2 16\ndirect\n0.000000 0.500000 0.374640 Mo\n0.500000 0.000000 0.530498 Mo\n0.500000 0.500000 0.652932 Mo\n0.000000 0.000000 0.620660 Mo\n0.000000 0.000000 0.436489 Mo\n0.000000 0.500000 0.562998 Mo\n0.500000 0.000000 0.347884 Mo\n0.500000 0.500000 0.469346 Mo\n0.500000 0.905751 0.701314 H\n0.500000 0.094249 0.701314 H\n0.000000 0.876969 0.373651 S\n0.500000 0.616912 0.342226 S\n0.000000 0.378206 0.626520 S\n0.500000 0.880299 0.468125 S\n0.000000 0.876173 0.561159 S\n0.000000 0.620044 0.437290 S\n0.500000 0.383088 0.342226 S\n0.500000 0.119701 0.468125 S\n0.500000 0.878854 0.657199 S\n0.000000 0.621794 0.626520 S\n0.000000 0.123827 0.561159 S\n0.500000 0.121146 0.657199 S\n0.000000 0.379956 0.437290 S\n0.000000 0.123031 0.373651 S\n0.500000 0.619955 0.531442 S\n0.500000 0.380045 0.531442 S\n","nsites":26,"nelements":3,"elements":["Mo","H","S"],"chemical_system":"H-Mo-S","density":1.7512741913891798,"density_atomic":0.02137939098247984,"volume":1216.1244453271236,"volume_molar":28.167971505526392,"formula_full":"Mo8 H2 S16","formula_reduced":"Mo4HS8","formula_anonymous":"AB4C8","energy":-180.22590683,"energy_per_atom":-6.931765647307693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.17790683,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6358476,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.238000Z","spacegroup":25},{"id":"mp-989178","created_at":"2022-09-04T14:40:09.998618Z","structure_string":"Sc2 O2 F2\n1.0\n3.627520 0.000000 0.000000\n0.000000 3.627520 0.000000\n0.000000 0.000000 5.172196\nSc O F\n2 2 2\ndirect\n0.500000 0.000000 0.705854 Sc\n0.000000 0.500000 0.294146 Sc\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":3.901423870148798,"density_atomic":0.08815696804010191,"volume":68.06041692893348,"volume_molar":6.831156848838739,"formula_full":"Sc2 O2 F2","formula_reduced":"ScOF","formula_anonymous":"ABC","energy":-50.64037504,"energy_per_atom":-8.440062506666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.34237503999999,"band_gap":4.333399999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.029000Z","spacegroup":129},{"id":"mp-9890","created_at":"2022-09-04T14:42:09.872806Z","structure_string":"Ta2 Ag2 O6\n1.0\n4.915438 -2.787828 0.000000\n4.915438 2.787828 0.000000\n3.334300 0.000000 4.562452\nTa Ag O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.750000 0.306526 0.193474 O\n0.193474 0.750000 0.306526 O\n0.306526 0.193474 0.750000 O\n0.250000 0.693474 0.806526 O\n0.693474 0.806526 0.250000 O\n0.806526 0.250000 0.693474 O\n","nsites":10,"nelements":3,"elements":["Ta","Ag","O"],"chemical_system":"Ag-O-Ta","density":8.945674399821078,"density_atomic":0.07997302021676174,"volume":125.0421701330729,"volume_molar":7.53021549477233,"formula_full":"Ta2 Ag2 O6","formula_reduced":"TaAgO3","formula_anonymous":"ABC3","energy":-83.16438579,"energy_per_atom":-8.316438579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.04238579,"band_gap":1.6614999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001804,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.079000Z","spacegroup":167},{"id":"mp-988996","created_at":"2022-09-04T14:47:00.428269Z","structure_string":"Fe2 Sb2 As2\n1.0\n3.050963 0.000000 0.000000\n0.000000 5.563342 0.000000\n0.000000 0.000000 6.267306\nFe Sb As\n2 2 2\ndirect\n0.000000 0.273379 0.692050 Fe\n0.500000 0.726621 0.192050 Fe\n0.000000 0.070661 0.057408 Sb\n0.500000 0.929339 0.557408 Sb\n0.000000 0.441831 0.342942 As\n0.500000 0.558169 0.842942 As\n","nsites":6,"nelements":3,"elements":["Fe","Sb","As"],"chemical_system":"As-Fe-Sb","density":7.8837460366818215,"density_atomic":0.056402408734838747,"volume":106.37843550631746,"volume_molar":10.677098540793757,"formula_full":"Fe2 Sb2 As2","formula_reduced":"FeSbAs","formula_anonymous":"ABC","energy":-35.60993154,"energy_per_atom":-5.93498859,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.22593154,"band_gap":0.0175999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.95e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.300000Z","spacegroup":31},{"id":"mp-988945","created_at":"2022-09-04T14:44:19.494315Z","structure_string":"Al8 As8\n1.0\n7.022530 0.000000 0.000000\n0.000000 7.022530 0.000000\n0.000000 0.000000 7.022530\nAl As\n8 8\ndirect\n0.341499 0.341499 0.341499 Al\n0.158501 0.658501 0.841499 Al\n0.841499 0.158501 0.658501 Al\n0.658501 0.841499 0.158501 Al\n0.658501 0.658501 0.658501 Al\n0.841499 0.341499 0.158501 Al\n0.158501 0.841499 0.341499 Al\n0.341499 0.158501 0.841499 Al\n0.141202 0.141202 0.141202 As\n0.358798 0.858798 0.641202 As\n0.641202 0.358798 0.858798 As\n0.858798 0.641202 0.358798 As\n0.858798 0.858798 0.858798 As\n0.641202 0.141202 0.358798 As\n0.358798 0.641202 0.141202 As\n0.141202 0.358798 0.641202 As\n","nsites":16,"nelements":2,"elements":["Al","As"],"chemical_system":"Al-As","density":3.90882147248744,"density_atomic":0.04619970188271428,"volume":346.32258105514825,"volume_molar":13.035020821753823,"formula_full":"Al8 As8","formula_reduced":"AlAs","formula_anonymous":"AB","energy":-72.603071,"energy_per_atom":-4.5376919375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.603071,"band_gap":0.3385000000000007,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0011124,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.108000Z","spacegroup":205},{"id":"mp-988940","created_at":"2022-09-04T14:45:14.515678Z","structure_string":"Al1 As1\n1.0\n0.000000 2.648456 2.648456\n2.648456 0.000000 2.648456\n2.648456 2.648456 0.000000\nAl As\n1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 As\n","nsites":2,"nelements":2,"elements":["Al","As"],"chemical_system":"Al-As","density":4.554370687206563,"density_atomic":0.05382966950353394,"volume":37.1542314572208,"volume_molar":11.18740058325018,"formula_full":"Al1 As1","formula_reduced":"AlAs","formula_anonymous":"AB","energy":-8.82215079,"energy_per_atom":-4.411075395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.82215079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002498,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.645000Z","spacegroup":225},{"id":"mp-988939","created_at":"2022-09-04T14:46:15.073203Z","structure_string":"Al1 As1\n1.0\n2.723964 0.000000 0.000000\n0.000000 2.723964 0.000000\n0.000000 0.000000 5.348365\nAl As\n1 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 As\n","nsites":2,"nelements":2,"elements":["Al","As"],"chemical_system":"Al-As","density":4.263957747543094,"density_atomic":0.05039717934511366,"volume":39.68476065504077,"volume_molar":11.949360734578265,"formula_full":"Al1 As1","formula_reduced":"AlAs","formula_anonymous":"AB","energy":-8.12443707,"energy_per_atom":-4.062218535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.12443707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015721,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.739000Z","spacegroup":123}]}