{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12162","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12160","results":[{"id":"mp-1219152","created_at":"2022-09-04T14:48:23.655760Z","structure_string":"Re4 Ni2 O12\n1.0\n4.762813 0.000000 0.000000\n0.000000 4.762813 0.000000\n0.000000 0.000000 8.487147\nRe Ni O\n4 2 12\ndirect\n0.500000 0.500000 0.347044 Re\n0.500000 0.500000 0.652956 Re\n0.000000 0.000000 0.847044 Re\n0.000000 0.000000 0.152956 Re\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.218877 0.781123 0.000000 O\n0.210768 0.789232 0.324105 O\n0.210768 0.789232 0.675895 O\n0.781123 0.218877 0.000000 O\n0.789232 0.210768 0.324105 O\n0.789232 0.210768 0.675895 O\n0.289232 0.289232 0.175895 O\n0.281123 0.281123 0.500000 O\n0.289232 0.289232 0.824105 O\n0.710768 0.710768 0.175895 O\n0.718877 0.718877 0.500000 O\n0.710768 0.710768 0.824105 O\n","nsites":18,"nelements":3,"elements":["Re","Ni","O"],"chemical_system":"Ni-O-Re","density":9.092565854857442,"density_atomic":0.09349399552763535,"volume":192.52573278547587,"volume_molar":6.44120590420157,"formula_full":"Re4 Ni2 O12","formula_reduced":"Re2NiO6","formula_anonymous":"AB2C6","energy":-152.85954343999998,"energy_per_atom":-8.492196857777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.53354344,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8009389,"is_theoretical":true,"updated_at":"2021-11-28T01:38:56.314000Z","spacegroup":136},{"id":"mp-1096174","created_at":"2022-09-04T14:48:23.657456Z","structure_string":"Y1 Zn2 Cd1\n1.0\n-5.685727 6.042807 8.485349\n5.685727 -6.042807 8.485349\n5.685727 6.042807 -8.485349\nY Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.257187 0.257187 Zn\n0.000000 0.742813 0.742813 Zn\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Y","Zn","Cd"],"chemical_system":"Cd-Y-Zn","density":0.4729433433547035,"density_atomic":0.0034300903818690366,"volume":1166.150029498763,"volume_molar":175.56799062299257,"formula_full":"Y1 Zn2 Cd1","formula_reduced":"YZn2Cd","formula_anonymous":"ABC2","energy":-4.1365237,"energy_per_atom":-1.034130925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.1365237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0002399,"is_theoretical":true,"updated_at":"2021-11-28T01:39:28.384000Z","spacegroup":71},{"id":"mp-9085","created_at":"2022-09-04T14:48:23.664181Z","structure_string":"Cs1 Tb1 S2\n1.0\n8.152421 -2.063374 0.000000\n8.152421 2.063374 0.000000\n7.630182 0.000000 3.535506\nCs Tb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Tb\n0.772640 0.772640 0.772640 S\n0.227360 0.227360 0.227360 S\n","nsites":4,"nelements":3,"elements":["Cs","Tb","S"],"chemical_system":"Cs-S-Tb","density":4.969413629936819,"density_atomic":0.03362899310794482,"volume":118.9449825976206,"volume_molar":17.907585697465542,"formula_full":"Cs1 Tb1 S2","formula_reduced":"CsTbS2","formula_anonymous":"ABC2","energy":-22.07814739,"energy_per_atom":-5.5195368475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.07214739,"band_gap":2.1420000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:39:32.705000Z","spacegroup":166},{"id":"mp-757805","created_at":"2022-09-04T14:48:23.641374Z","structure_string":"Li2 V2 P8 O24\n1.0\n8.754209 0.000000 0.000000\n0.000000 7.018316 0.000000\n0.000000 0.550641 7.383877\nLi V P O\n2 2 8 24\ndirect\n0.364715 0.653131 0.667907 Li\n0.864715 0.346869 0.332093 Li\n0.928486 0.772475 0.227745 V\n0.428486 0.227525 0.772255 V\n0.372375 0.015218 0.414501 P\n0.575014 0.917973 0.092931 P\n0.733732 0.609448 0.594322 P\n0.376254 0.571296 0.075315 P\n0.876254 0.428704 0.924685 P\n0.233732 0.390552 0.405678 P\n0.075014 0.082027 0.907069 P\n0.872375 0.984782 0.585499 P\n0.962092 0.980392 0.774140 O\n0.545708 0.015394 0.908372 O\n0.976845 0.893404 0.451907 O\n0.734848 0.922296 0.166001 O\n0.736810 0.833110 0.635339 O\n0.310551 0.822989 0.466858 O\n0.531964 0.695360 0.093377 O\n0.245995 0.692139 0.014906 O\n0.784272 0.593504 0.398977 O\n0.870747 0.522305 0.718644 O\n0.915116 0.592645 0.039346 O\n0.581186 0.531668 0.651491 O\n0.081186 0.468332 0.348509 O\n0.415116 0.407355 0.960654 O\n0.370747 0.477695 0.281356 O\n0.284272 0.406496 0.601023 O\n0.745995 0.307861 0.985094 O\n0.031964 0.304640 0.906623 O\n0.810551 0.177011 0.533142 O\n0.236810 0.166890 0.364661 O\n0.234848 0.077704 0.833999 O\n0.476845 0.106596 0.548093 O\n0.045708 0.984606 0.091628 O\n0.462092 0.019608 0.225860 O\n","nsites":36,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.73621144480476,"density_atomic":0.07935388939889082,"volume":453.66396370362656,"volume_molar":7.588967353229918,"formula_full":"Li2 V2 P8 O24","formula_reduced":"LiV(PO3)4","formula_anonymous":"ABC4D12","energy":-277.13914234,"energy_per_atom":-7.698309509444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.25114234,"band_gap":3.2134,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002976,"is_theoretical":true,"updated_at":"2021-11-28T01:39:12.105000Z","spacegroup":4},{"id":"mp-975056","created_at":"2022-09-04T14:48:23.669779Z","structure_string":"Rb3 Al1\n1.0\n-3.117684 3.117684 5.663048\n3.117684 -3.117684 5.663048\n3.117684 3.117684 -5.663048\nRb Al\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Al\n","nsites":4,"nelements":2,"elements":["Rb","Al"],"chemical_system":"Al-Rb","density":2.1372308756677607,"density_atomic":0.018167098418034492,"volume":220.1782534534627,"volume_molar":33.148610864692714,"formula_full":"Rb3 Al1","formula_reduced":"Rb3Al","formula_anonymous":"AB3","energy":-5.24876011,"energy_per_atom":-1.3121900275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.24876011,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.8945076,"is_theoretical":true,"updated_at":"2021-11-28T01:38:53.557000Z","spacegroup":139},{"id":"mp-505442","created_at":"2022-09-04T14:48:23.675594Z","structure_string":"Mn12 B4 O20\n1.0\n3.175316 0.000000 0.000000\n0.000000 9.575036 0.000000\n0.000000 0.000000 12.859417\nMn B O\n12 4 20\ndirect\n0.500000 0.005821 0.278424 Mn\n0.500000 0.994179 0.721576 Mn\n0.500000 0.505821 0.221576 Mn\n0.500000 0.494179 0.778424 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.240546 0.117432 Mn\n0.000000 0.759454 0.882568 Mn\n0.000000 0.740546 0.382568 Mn\n0.000000 0.259454 0.617432 Mn\n0.000000 0.279865 0.359545 B\n0.000000 0.720135 0.640455 B\n0.000000 0.779865 0.140455 B\n0.000000 0.220135 0.859545 B\n0.000000 0.149080 0.954268 O\n0.000000 0.850920 0.045732 O\n0.000000 0.649080 0.545732 O\n0.000000 0.350920 0.454268 O\n0.500000 0.104095 0.138417 O\n0.500000 0.895905 0.861583 O\n0.500000 0.604095 0.361583 O\n0.500000 0.395905 0.638417 O\n0.000000 0.134196 0.355997 O\n0.000000 0.865804 0.644003 O\n0.000000 0.634196 0.144003 O\n0.000000 0.365804 0.855997 O\n0.500000 0.389159 0.080655 O\n0.500000 0.610841 0.919345 O\n0.500000 0.889159 0.419345 O\n0.500000 0.110841 0.580655 O\n0.000000 0.354481 0.266638 O\n0.000000 0.645519 0.733362 O\n0.000000 0.854481 0.233362 O\n0.000000 0.145519 0.766638 O\n","nsites":36,"nelements":3,"elements":["Mn","B","O"],"chemical_system":"B-Mn-O","density":4.342690710508775,"density_atomic":0.09207757094423506,"volume":390.97469265129376,"volume_molar":6.540290646510635,"formula_full":"Mn12 B4 O20","formula_reduced":"Mn3BO5","formula_anonymous":"AB3C5","energy":-317.51852692,"energy_per_atom":-8.819959081111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.76252692,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.0030447,"is_theoretical":false,"updated_at":"2021-11-28T01:39:09.727000Z","spacegroup":55},{"id":"mp-774722","created_at":"2022-09-04T14:48:23.686255Z","structure_string":"Li1 La20 Cu9 O40\n1.0\n8.955962 0.000000 0.000000\n-2.398373 10.094888 0.000000\n-3.865496 -3.077681 10.621702\nLi La Cu O\n1 20 9 40\ndirect\n0.500000 0.500000 0.500000 Li\n0.276722 0.784018 0.710556 La\n0.077033 0.385922 0.910675 La\n0.123590 0.014456 0.889148 La\n0.325769 0.415298 0.684849 La\n0.922967 0.614078 0.089325 La\n0.706695 0.705183 0.774600 La\n0.508306 0.309899 0.979122 La\n0.114811 0.508974 0.380703 La\n0.907460 0.109360 0.578722 La\n0.309789 0.910668 0.180278 La\n0.491694 0.690101 0.020878 La\n0.293305 0.294817 0.225400 La\n0.092540 0.890640 0.421278 La\n0.885189 0.491026 0.619297 La\n0.690211 0.089332 0.819722 La\n0.674231 0.584702 0.315151 La\n0.876410 0.985544 0.110852 La\n0.477394 0.191542 0.511672 La\n0.522606 0.808458 0.488328 La\n0.723278 0.215982 0.289444 La\n0.299543 0.099346 0.699739 Cu\n0.100211 0.699716 0.900488 Cu\n0.900723 0.799893 0.600574 Cu\n0.299273 0.600250 0.199623 Cu\n0.700727 0.399750 0.800377 Cu\n0.099277 0.200107 0.399426 Cu\n0.500000 0.000000 0.000000 Cu\n0.700457 0.900654 0.300261 Cu\n0.899789 0.300284 0.099512 Cu\n0.091892 0.954729 0.654566 O\n0.994844 0.757109 0.754900 O\n0.185211 0.543205 0.769999 O\n0.981585 0.141345 0.969242 O\n0.415284 0.652887 0.625248 O\n0.215732 0.255423 0.830492 O\n0.018415 0.858655 0.030758 O\n0.104526 0.443165 0.144398 O\n0.404882 0.042238 0.845356 O\n0.005156 0.242891 0.245100 O\n0.207037 0.642390 0.046707 O\n0.606456 0.443246 0.647076 O\n0.908108 0.045271 0.345434 O\n0.306872 0.843741 0.945422 O\n0.504650 0.242504 0.744621 O\n0.761385 0.940099 0.692884 O\n0.361852 0.140599 0.094773 O\n0.957146 0.338972 0.492668 O\n0.561023 0.539204 0.894079 O\n0.160217 0.741044 0.291924 O\n0.042854 0.661028 0.507332 O\n0.438977 0.460796 0.105921 O\n0.839783 0.258956 0.708076 O\n0.238615 0.059901 0.307116 O\n0.638148 0.859401 0.905227 O\n0.895474 0.556835 0.855602 O\n0.495350 0.757496 0.255379 O\n0.693128 0.156259 0.054578 O\n0.393544 0.556754 0.352924 O\n0.595118 0.957762 0.154644 O\n0.292024 0.354622 0.453667 O\n0.194672 0.157007 0.555458 O\n0.792963 0.357610 0.953293 O\n0.784268 0.744577 0.169508 O\n0.382905 0.938998 0.571523 O\n0.584716 0.347113 0.374752 O\n0.814789 0.456795 0.230001 O\n0.617095 0.061002 0.428477 O\n0.707976 0.645378 0.546333 O\n0.805328 0.842993 0.444542 O\n","nsites":70,"nelements":4,"elements":["Li","La","Cu","O"],"chemical_system":"Cu-La-Li-O","density":6.911445852563257,"density_atomic":0.072893731053749,"volume":960.3020587378732,"volume_molar":8.261534528338943,"formula_full":"Li1 La20 Cu9 O40","formula_reduced":"LiLa20Cu9O40","formula_anonymous":"AB9C20D40","energy":-546.84624905,"energy_per_atom":-7.812089272142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-519.36624905,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0237859,"is_theoretical":true,"updated_at":"2021-11-28T01:39:23.155000Z","spacegroup":2},{"id":"mp-1232068","created_at":"2022-09-04T14:48:24.355584Z","structure_string":"Nd4 Mg2 S8\n1.0\n-4.175595 4.175595 4.407593\n4.175595 -4.175595 4.407593\n4.175595 4.175595 -4.407593\nNd Mg S\n4 2 8\ndirect\n0.875000 0.757074 0.382074 Nd\n0.507074 0.125000 0.882074 Nd\n0.375000 0.492926 0.617926 Nd\n0.242926 0.625000 0.117926 Nd\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.506271 0.376523 0.267002 S\n0.760730 0.493729 0.870252 S\n0.109522 0.239270 0.732998 S\n0.623477 0.890478 0.129748 S\n0.243729 0.010730 0.370252 S\n0.989270 0.359522 0.232998 S\n0.640478 0.873477 0.629748 S\n0.126523 0.756271 0.767002 S\n","nsites":14,"nelements":3,"elements":["Nd","Mg","S"],"chemical_system":"Mg-Nd-S","density":4.765052842169385,"density_atomic":0.04554385854635003,"volume":307.3960012797815,"volume_molar":13.222728491199888,"formula_full":"Nd4 Mg2 S8","formula_reduced":"Nd2MgS4","formula_anonymous":"AB2C4","energy":-84.52564965,"energy_per_atom":-6.037546403571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.50164965,"band_gap":2.0730999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002853,"is_theoretical":true,"updated_at":"2021-11-28T01:39:34.340000Z","spacegroup":122},{"id":"mp-984768","created_at":"2022-09-04T14:48:24.359222Z","structure_string":"Dy1 Ho1 Ir2\n1.0\n0.000000 3.422902 3.422902\n3.422902 0.000000 3.422902\n3.422902 3.422902 0.000000\nDy Ho Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n","nsites":4,"nelements":3,"elements":["Dy","Ho","Ir"],"chemical_system":"Dy-Ho-Ir","density":14.737809280814863,"density_atomic":0.0498708304491354,"volume":80.20720657699309,"volume_molar":12.075477199326254,"formula_full":"Dy1 Ho1 Ir2","formula_reduced":"DyHoIr2","formula_anonymous":"ABC2","energy":-30.27211322,"energy_per_atom":-7.568028305,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.27211322,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002822,"is_theoretical":true,"updated_at":"2021-11-28T01:39:35.121000Z","spacegroup":225},{"id":"mp-604321","created_at":"2022-09-04T14:48:24.360907Z","structure_string":"Rb4\n1.0\n2.538581 -4.396951 0.000000\n2.538581 4.396951 0.000000\n0.000000 0.000000 16.471521\nRb\n4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.250000 Rb\n","nsites":4,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.5438505712149497,"density_atomic":0.01087811486369811,"volume":367.7107706730139,"volume_molar":55.36015049902424,"formula_full":"Rb4","formula_reduced":"Rb","formula_anonymous":"A","energy":-3.91319338,"energy_per_atom":-0.978298345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.91319338,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007881,"is_theoretical":true,"updated_at":"2021-11-28T01:38:57.601000Z","spacegroup":194},{"id":"mp-555537","created_at":"2022-09-04T14:48:24.362099Z","structure_string":"Na6 Er2 V4 O16\n1.0\n9.848491 0.000000 0.000000\n0.000000 5.574869 0.000000\n0.000000 5.168566 7.273749\nNa Er V O\n6 2 4 16\ndirect\n0.142909 0.301520 0.708115 Na\n0.500000 0.000000 0.000000 Na\n0.642909 0.698480 0.791885 Na\n0.857091 0.698480 0.291885 Na\n0.357091 0.301520 0.208115 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.682268 0.205862 0.276993 V\n0.182268 0.794138 0.223007 V\n0.317732 0.794138 0.723007 V\n0.817732 0.205862 0.776993 V\n0.630885 0.860011 0.468168 O\n0.369115 0.139989 0.531832 O\n0.401739 0.731868 0.908154 O\n0.130885 0.139989 0.031832 O\n0.863641 0.485133 0.804009 O\n0.641066 0.198652 0.740575 O\n0.869115 0.860011 0.968168 O\n0.901739 0.268132 0.591846 O\n0.598261 0.268132 0.091846 O\n0.141066 0.801348 0.759425 O\n0.098261 0.731868 0.408154 O\n0.636359 0.485133 0.304009 O\n0.136359 0.514867 0.195991 O\n0.363641 0.514867 0.695991 O\n0.358934 0.801348 0.259425 O\n0.858934 0.198652 0.240575 O\n","nsites":28,"nelements":4,"elements":["Na","Er","V","O"],"chemical_system":"Er-Na-O-V","density":3.8761590603787064,"density_atomic":0.07011248527806727,"volume":399.35825821822664,"volume_molar":8.58925587378067,"formula_full":"Na6 Er2 V4 O16","formula_reduced":"Na3ErV2O8","formula_anonymous":"AB2C3D8","energy":-208.05326716,"energy_per_atom":-7.4304738271428565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.26126716,"band_gap":3.3505,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012668,"is_theoretical":false,"updated_at":"2021-11-28T01:39:18.875000Z","spacegroup":14},{"id":"mp-1201928","created_at":"2022-09-04T14:48:23.646978Z","structure_string":"Fe4 H12 C15 O31\n1.0\n-5.968216 5.968216 5.968216\n5.968216 -5.968216 5.968216\n5.968216 5.968216 -5.968216\nFe H C O\n4 12 15 31\ndirect\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.679146 0.786932 0.466077 H\n0.679146 0.213068 0.892214 H\n0.320854 0.786932 0.107786 H\n0.320854 0.213068 0.533923 H\n0.786932 0.466077 0.679146 H\n0.213068 0.892214 0.679146 H\n0.786932 0.107786 0.320854 H\n0.213068 0.533923 0.320854 H\n0.466077 0.679146 0.786932 H\n0.892214 0.679146 0.213068 H\n0.107786 0.320854 0.786932 H\n0.533923 0.320854 0.213068 H\n0.756903 0.737289 0.494192 C\n0.756903 0.262711 0.019614 C\n0.243097 0.737289 0.980386 C\n0.243097 0.262711 0.505808 C\n0.737289 0.494192 0.756903 C\n0.262711 0.019614 0.756903 C\n0.737289 0.980386 0.243097 C\n0.262711 0.505808 0.243097 C\n0.494192 0.756903 0.737289 C\n0.019614 0.756903 0.262711 C\n0.980386 0.243097 0.737289 C\n0.505808 0.243097 0.262711 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.893770 0.802619 0.510269 O\n0.707650 0.197381 0.091151 O\n0.106230 0.616499 0.908849 O\n0.292350 0.383501 0.489731 O\n0.802619 0.510269 0.893770 O\n0.197381 0.091151 0.707650 O\n0.616499 0.908849 0.106230 O\n0.383501 0.489731 0.292350 O\n0.510269 0.893770 0.802619 O\n0.091151 0.707650 0.197381 O\n0.908849 0.106230 0.616499 O\n0.489731 0.292350 0.383501 O\n0.106230 0.197381 0.489731 O\n0.292350 0.802619 0.908849 O\n0.893770 0.383501 0.091151 O\n0.707650 0.616499 0.510269 O\n0.197381 0.489731 0.106230 O\n0.802619 0.908849 0.292350 O\n0.383501 0.091151 0.893770 O\n0.616499 0.510269 0.707650 O\n0.489731 0.106230 0.197381 O\n0.908849 0.292350 0.802619 O\n0.091151 0.893770 0.383501 O\n0.510269 0.707650 0.616499 O\n0.500000 0.901413 0.401413 O\n0.500000 0.098587 0.598587 O\n0.901413 0.401413 0.500000 O\n0.098587 0.598587 0.500000 O\n0.401413 0.500000 0.901413 O\n0.598587 0.500000 0.098587 O\n0.000000 0.000000 0.000000 O\n","nsites":62,"nelements":4,"elements":["Fe","H","C","O"],"chemical_system":"C-Fe-H-O","density":1.780196772956576,"density_atomic":0.07291184707145586,"volume":850.3419195955644,"volume_molar":8.25948182892434,"formula_full":"Fe4 H12 C15 O31","formula_reduced":"Fe4H12C15O31","formula_anonymous":"A4B12C15D31","energy":-446.34630059,"energy_per_atom":-7.199133880483871,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-416.02530059,"band_gap":2.0433,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":21.9959745,"is_theoretical":false,"updated_at":"2021-11-28T01:39:27.429000Z","spacegroup":204}]}