{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=10218","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=10216","results":[{"id":"mp-1041988","created_at":"2022-09-04T14:42:24.330676Z","structure_string":"Co4 O8\n1.0\n-2.860220 2.901656 3.751370\n2.860220 -2.901656 3.751370\n2.860220 2.901656 -3.751370\nCo O\n4 8\ndirect\n0.612627 0.862627 0.750000 Co\n0.387373 0.137373 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.244652 0.233957 0.489305 O\n0.215747 0.252688 0.963058 O\n0.244652 0.755346 0.010695 O\n0.789630 0.252688 0.536942 O\n0.210370 0.747312 0.463058 O\n0.784253 0.747312 0.036942 O\n0.755348 0.244654 0.989305 O\n0.755348 0.766043 0.510695 O\n","nsites":12,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":4.849875080277291,"density_atomic":0.09635760354297516,"volume":124.53609843719329,"volume_molar":6.249782620749951,"formula_full":"Co4 O8","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-77.94080248,"energy_per_atom":-6.495066873333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.89280248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9979133,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.394000Z","spacegroup":74},{"id":"mp-754748","created_at":"2022-09-04T14:47:38.003466Z","structure_string":"Co4 O8\n1.0\n1.399911 -2.448907 -0.038364\n1.640080 2.071929 10.625056\n-4.275510 -2.452875 0.003085\nCo O\n4 8\ndirect\n0.539879 0.992128 0.500711 Co\n0.294993 0.496133 0.748277 Co\n0.039877 0.992128 0.000711 Co\n0.794977 0.496129 0.248274 Co\n0.004367 0.903745 0.624099 O\n0.504328 0.903706 0.124012 O\n0.329917 0.584541 0.459237 O\n0.829926 0.584522 0.959279 O\n0.075250 0.080555 0.377271 O\n0.575286 0.080595 0.877354 O\n0.759689 0.407639 0.536978 O\n0.259700 0.407621 0.037022 O\n","nsites":12,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":4.092922941969851,"density_atomic":0.08131843390731822,"volume":147.5680165419426,"volume_molar":7.405628060746556,"formula_full":"Co4 O8","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-80.91696451,"energy_per_atom":-6.743080375833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.86896451,"band_gap":1.3005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.173000Z","spacegroup":39},{"id":"mp-1047639","created_at":"2022-09-04T14:46:01.521436Z","structure_string":"Co4 O8\n1.0\n1.452754 -4.654726 0.000000\n1.452754 4.654726 0.000000\n0.000000 0.000000 9.320423\nCo O\n4 8\ndirect\n0.134762 0.865238 0.072642 Co\n0.865238 0.134762 0.927358 Co\n0.134762 0.865238 0.427358 Co\n0.865238 0.134762 0.572642 Co\n0.764320 0.235680 0.396892 O\n0.235680 0.764320 0.603108 O\n0.235680 0.764320 0.896892 O\n0.764320 0.235680 0.103108 O\n0.066642 0.933358 0.250000 O\n0.933358 0.066642 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n","nsites":12,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":4.7915275364370435,"density_atomic":0.09519835110780865,"volume":126.05260343648641,"volume_molar":6.325887675491507,"formula_full":"Co4 O8","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-78.16883004,"energy_per_atom":-6.51406917,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.12083004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0010525,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.355000Z","spacegroup":63},{"id":"mp-504097","created_at":"2022-09-04T14:41:52.054875Z","structure_string":"Co4 O8\n1.0\n-4.849028 -0.000170 2.799468\n1.619707 4.615170 2.804876\n1.591022 4.649454 -2.843620\nCo O\n4 8\ndirect\n0.000000 0.000001 0.500000 Co\n0.500000 0.000001 0.499999 Co\n0.500000 0.000001 0.999999 Co\n0.499999 0.500000 0.000000 Co\n0.262188 0.767636 0.969274 O\n0.737810 0.232366 0.030725 O\n0.292793 0.232365 0.030655 O\n0.707206 0.767636 0.969343 O\n0.266585 0.205943 0.533125 O\n0.734160 0.241972 0.468251 O\n0.733415 0.794059 0.466873 O\n0.265840 0.758029 0.531749 O\n","nsites":12,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":4.74088865209346,"density_atomic":0.09419225477322869,"volume":127.39900991743366,"volume_molar":6.393456420061845,"formula_full":"Co4 O8","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-80.2953243,"energy_per_atom":-6.691277025000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.2473243,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9959113,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.664000Z","spacegroup":227},{"id":"mp-756488","created_at":"2022-09-04T14:45:17.894846Z","structure_string":"Co4 O8\n1.0\n4.960415 -2.829980 0.000000\n4.960415 2.829980 0.000000\n3.345874 0.000000 4.628134\nCo O\n4 8\ndirect\n0.504691 0.988280 0.504691 Co\n0.988280 0.504691 0.504691 Co\n0.504691 0.504691 0.988280 Co\n0.122191 0.122191 0.122191 Co\n0.736382 0.736382 0.736382 O\n0.748389 0.748389 0.300495 O\n0.300495 0.748389 0.748389 O\n0.748389 0.300495 0.748389 O\n0.240658 0.730503 0.240658 O\n0.730503 0.240658 0.240658 O\n0.240658 0.240658 0.730503 O\n0.259674 0.259674 0.259674 O\n","nsites":12,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":4.648239633078222,"density_atomic":0.0923514986104111,"volume":129.93833538773998,"volume_molar":6.520891215208828,"formula_full":"Co4 O8","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-79.54703445,"energy_per_atom":-6.6289195375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.49903445,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0027239,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.429000Z","spacegroup":160},{"id":"mp-1308239","created_at":"2022-09-04T14:43:55.939941Z","structure_string":"Co4 O6 F2\n1.0\n-0.186834 4.491829 -2.976508\n-4.491866 0.186855 -2.976536\n-4.496169 0.191198 2.981895\nCo O F\n4 6 2\ndirect\n0.533684 0.743515 0.790176 Co\n0.999762 0.502288 0.497479 Co\n0.461764 0.247308 0.214456 Co\n0.999416 0.003863 0.995575 Co\n0.822514 0.748833 0.073659 O\n0.180299 0.252770 0.927465 O\n0.303049 0.193859 0.505905 O\n0.305057 0.697826 0.999719 O\n0.699799 0.797127 0.505933 O\n0.697529 0.305374 0.999742 O\n0.786026 0.256127 0.529914 F\n0.211100 0.751109 0.459976 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.1109133077334254,"density_atomic":0.09989659529746592,"volume":120.12421408624729,"volume_molar":6.028374382597967,"formula_full":"Co4 O6 F2","formula_reduced":"Co2O3F","formula_anonymous":"AB2C3","energy":-77.41926995,"energy_per_atom":-6.451605829166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.82126995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0016582,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.132000Z","spacegroup":46},{"id":"mp-1178456","created_at":"2022-09-04T14:47:31.359035Z","structure_string":"Co4 O6 F2\n1.0\n-0.178985 4.481934 -2.993657\n-4.481576 0.179567 -2.993016\n-4.479826 0.176900 2.990742\nCo O F\n4 6 2\ndirect\n0.464768 0.252730 0.212039 Co\n0.535201 0.747268 0.787933 Co\n0.999995 0.500016 0.499979 Co\n0.000007 0.999994 0.000013 Co\n0.822891 0.747640 0.075312 O\n0.177117 0.252356 0.924701 O\n0.298700 0.201306 0.500026 O\n0.303622 0.696339 0.999962 O\n0.701302 0.798681 0.499990 O\n0.696380 0.303665 0.000036 O\n0.783923 0.253710 0.530192 F\n0.216093 0.746295 0.469818 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.118706570259111,"density_atomic":0.10004892039979105,"volume":119.94132422467462,"volume_molar":6.01919614518157,"formula_full":"Co4 O6 F2","formula_reduced":"Co2O3F","formula_anonymous":"AB2C3","energy":-77.49147318,"energy_per_atom":-6.457622765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.89347318,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9827259,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.831000Z","spacegroup":74},{"id":"mp-1299522","created_at":"2022-09-04T14:45:08.483056Z","structure_string":"Co4 O6 F2\n1.0\n-0.192596 4.535912 2.909115\n-0.215966 4.559201 -2.944473\n-4.558908 0.216416 -2.944555\nCo O F\n4 6 2\ndirect\n0.206850 0.248606 0.455452 Co\n0.793074 0.751386 0.544464 Co\n0.000203 0.999818 0.000023 Co\n0.499871 0.500118 0.999990 Co\n0.068454 0.753953 0.822394 O\n0.500011 0.805990 0.694029 O\n0.999996 0.311223 0.688797 O\n0.499999 0.194012 0.305984 O\n0.999998 0.688793 0.311214 O\n0.931511 0.246078 0.177603 O\n0.564944 0.235046 0.799977 F\n0.435089 0.764978 0.200072 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.082470848036157,"density_atomic":0.09934066630502081,"volume":120.79645170845309,"volume_molar":6.062110295807059,"formula_full":"Co4 O6 F2","formula_reduced":"Co2O3F","formula_anonymous":"AB2C3","energy":-77.20509253,"energy_per_atom":-6.4337577108333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.60709253,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0005607,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.879000Z","spacegroup":12},{"id":"mp-778193","created_at":"2022-09-04T14:42:25.599354Z","structure_string":"Co4 O6 F2\n1.0\n3.020381 -3.151700 0.000000\n3.020381 3.151700 0.000000\n0.000000 0.000000 5.915563\nCo O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.524805 0.475195 0.250000 Co\n0.475195 0.524805 0.750000 Co\n0.191452 0.808548 0.750000 O\n0.305636 0.305636 0.000000 O\n0.305636 0.305636 0.500000 O\n0.694364 0.694364 0.000000 O\n0.694364 0.694364 0.500000 O\n0.808548 0.191452 0.250000 O\n0.219638 0.780362 0.250000 F\n0.780362 0.219638 0.750000 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.451253679585327,"density_atomic":0.10654880055769488,"volume":112.6244494277732,"volume_molar":5.652002395596265,"formula_full":"Co4 O6 F2","formula_reduced":"Co2O3F","formula_anonymous":"AB2C3","energy":-76.99943161,"energy_per_atom":-6.416619300833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.40143161,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0281258,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.733000Z","spacegroup":63},{"id":"mp-758859","created_at":"2022-09-04T14:48:06.172596Z","structure_string":"Co4 O4 F4\n1.0\n4.480373 0.000000 0.000000\n0.000000 4.480373 0.000000\n0.000000 0.000000 6.085983\nCo O F\n4 4 4\ndirect\n0.471936 0.471936 0.000000 Co\n0.528064 0.528064 0.500000 Co\n0.028064 0.971936 0.250000 Co\n0.971936 0.028064 0.750000 Co\n0.680043 0.319957 0.750000 O\n0.819957 0.819957 0.500000 O\n0.180043 0.180043 0.000000 O\n0.319957 0.680043 0.250000 O\n0.721670 0.278330 0.250000 F\n0.778330 0.778330 0.000000 F\n0.221670 0.221670 0.500000 F\n0.278330 0.721670 0.750000 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.1069187537961085,"density_atomic":0.09822502960222586,"volume":122.16845389200138,"volume_molar":6.130963548076684,"formula_full":"Co4 O4 F4","formula_reduced":"CoOF","formula_anonymous":"ABC","energy":-74.67985843,"energy_per_atom":-6.223321535833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.53185843,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9200683,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.884000Z","spacegroup":92},{"id":"mp-19128","created_at":"2022-09-04T14:41:59.566078Z","structure_string":"Co4 O4\n1.0\n-1.634734 2.831443 -0.000001\n-0.000025 -0.000015 5.288980\n4.889815 2.823135 -0.000032\nCo O\n4 4\ndirect\n0.000000 0.998454 0.666239 Co\n0.999999 0.498454 0.333766 Co\n0.500002 0.998514 0.166308 Co\n0.500000 0.498517 0.833694 Co\n0.499998 0.376587 0.166081 O\n0.999998 0.376445 0.666062 O\n0.000005 0.876449 0.333943 O\n0.500000 0.876580 0.833907 O\n","nsites":8,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":5.097638246475344,"density_atomic":0.08193682622213447,"volume":97.63619569925294,"volume_molar":7.349736422147598,"formula_full":"Co4 O4","formula_reduced":"CoO","formula_anonymous":"AB","energy":-58.49685943,"energy_per_atom":-7.31210742875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.19685943,"band_gap":0.7120000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.19e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.668000Z","spacegroup":186},{"id":"mp-19275","created_at":"2022-09-04T14:46:10.580634Z","structure_string":"Co4 O4\n1.0\n-4.214120 0.002379 0.004406\n0.000953 -3.183117 -3.183349\n2.108740 -4.563800 1.376727\nCo O\n4 4\ndirect\n0.250979 0.249008 0.501984 Co\n0.499014 0.500999 0.998001 Co\n0.750948 0.749051 0.501902 Co\n0.999058 0.000943 0.998108 Co\n0.749688 0.250284 0.499377 O\n0.249692 0.750321 0.499393 O\n0.500315 0.999672 0.000624 O\n0.000305 0.499722 0.000610 O\n","nsites":8,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":6.244491165818308,"density_atomic":0.10037075264277158,"volume":79.70449348400037,"volume_molar":5.999895987064412,"formula_full":"Co4 O4","formula_reduced":"CoO","formula_anonymous":"AB","energy":-57.44706609000001,"energy_per_atom":-7.180883261250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.14706609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001526,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.217000Z","spacegroup":139}]}