{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=92","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=90","results":[{"id":"mp-1073021","created_at":"2022-09-04T14:47:01.355466Z","structure_string":"Mg8 Si12\n1.0\n3.769164 0.000000 0.000000\n1.820331 5.884079 0.000000\n1.842995 1.559560 17.239627\nMg Si\n8 12\ndirect\n0.292590 0.993070 0.241389 Mg\n0.042996 0.924426 0.756798 Mg\n0.392744 0.938745 0.057937 Mg\n0.865149 0.162457 0.911698 Mg\n0.779559 0.466298 0.745112 Mg\n0.570585 0.434725 0.249368 Mg\n0.920034 0.391055 0.566097 Mg\n0.428922 0.521381 0.419473 Mg\n0.721386 0.367292 0.045726 Si\n0.041273 0.656402 0.985825 Si\n0.184237 0.359776 0.133386 Si\n0.550376 0.804349 0.886673 Si\n0.456996 0.203556 0.670381 Si\n0.896183 0.703528 0.314359 Si\n0.227644 0.789482 0.543119 Si\n0.122161 0.112328 0.447410 Si\n0.666818 0.827031 0.628317 Si\n0.682143 0.076098 0.364448 Si\n0.950773 0.743998 0.171040 Si\n0.207293 0.523980 0.861383 Si\n","nsites":20,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3081986844098834,"density_atomic":0.05230926299844874,"volume":382.3414602609314,"volume_molar":11.512570460376377,"formula_full":"Mg8 Si12","formula_reduced":"Mg2Si3","formula_anonymous":"A2B3","energy":-74.99629525,"energy_per_atom":-3.7498147625000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.84829525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004511,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.942000Z","spacegroup":1},{"id":"mp-1096761","created_at":"2022-09-04T14:47:01.360339Z","structure_string":"K1 Rb2 Na1\n1.0\n-7.847777 8.597362 11.123070\n7.847777 -8.597362 11.123070\n7.847777 8.597362 -11.123070\nK Rb Na\n1 2 1\ndirect\n0.500000 0.000000 0.500000 K\n0.228982 0.000000 0.228982 Rb\n0.771018 0.000000 0.771018 Rb\n0.000000 0.000000 0.000000 Na\n","nsites":4,"nelements":3,"elements":["K","Rb","Na"],"chemical_system":"K-Na-Rb","density":0.1288999073123344,"density_atomic":0.001332488478020395,"volume":3001.902129722413,"volume_molar":451.9469293233038,"formula_full":"K1 Rb2 Na1","formula_reduced":"KRb2Na","formula_anonymous":"ABC2","energy":-2.3038454,"energy_per_atom":-0.57596135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.3038454,"band_gap":0.0781,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022486,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.010000Z","spacegroup":71},{"id":"mp-1215503","created_at":"2022-09-04T14:47:02.778272Z","structure_string":"Zn1 Sn1 As2\n1.0\n6.961386 -2.104613 0.000000\n6.961386 2.104613 0.000000\n6.325106 0.000000 3.589335\nZn Sn As\n1 1 2\ndirect\n0.634887 0.634887 0.634887 Zn\n0.116954 0.116954 0.116954 Sn\n0.990380 0.990380 0.990380 As\n0.507780 0.507780 0.507780 As\n","nsites":4,"nelements":3,"elements":["Zn","Sn","As"],"chemical_system":"As-Sn-Zn","density":5.272716937680636,"density_atomic":0.03803190133173409,"volume":105.17486267935733,"volume_molar":15.834445686719018,"formula_full":"Zn1 Sn1 As2","formula_reduced":"ZnSnAs2","formula_anonymous":"ABC2","energy":-15.20362238,"energy_per_atom":-3.800905595,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.20362238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002043,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.412000Z","spacegroup":160},{"id":"mp-1042407","created_at":"2022-09-04T14:47:01.367891Z","structure_string":"Cu6 W12 O42\n1.0\n9.325025 0.000000 0.000000\n0.000000 10.686638 0.000000\n0.000000 0.648605 11.799476\nCu W O\n6 12 42\ndirect\n0.932158 0.412073 0.195126 Cu\n0.067842 0.587927 0.804874 Cu\n0.430292 0.250000 0.500000 Cu\n0.932158 0.087927 0.804874 Cu\n0.569708 0.750000 0.500000 Cu\n0.067842 0.912073 0.195126 Cu\n0.208618 0.290828 0.840972 W\n0.752123 0.381077 0.831654 W\n0.247877 0.881077 0.831654 W\n0.791382 0.790828 0.840972 W\n0.297027 0.961368 0.531607 W\n0.752123 0.118923 0.168346 W\n0.702973 0.461368 0.531607 W\n0.247877 0.618923 0.168346 W\n0.297027 0.538632 0.468393 W\n0.702973 0.038632 0.468393 W\n0.791382 0.709172 0.159028 W\n0.208618 0.209172 0.159028 W\n0.792327 0.957797 0.803308 O\n0.791399 0.284984 0.166514 O\n0.820042 0.750000 0.000000 O\n0.869631 0.102460 0.497792 O\n0.360832 0.589653 0.055283 O\n0.928630 0.712791 0.761605 O\n0.334388 0.937710 0.690432 O\n0.130369 0.602460 0.497792 O\n0.713575 0.874589 0.516662 O\n0.360832 0.910347 0.944717 O\n0.713575 0.625411 0.483338 O\n0.433065 0.877980 0.453301 O\n0.917633 0.031845 0.150404 O\n0.071370 0.212791 0.761605 O\n0.665612 0.062290 0.309568 O\n0.334388 0.562290 0.309568 O\n0.928630 0.787209 0.238395 O\n0.639168 0.410347 0.944717 O\n0.207673 0.457797 0.803308 O\n0.566935 0.122020 0.546699 O\n0.374283 0.267039 0.201582 O\n0.286425 0.125411 0.483338 O\n0.082367 0.531845 0.150404 O\n0.286425 0.374589 0.516662 O\n0.869631 0.397540 0.502208 O\n0.566935 0.377980 0.453301 O\n0.130369 0.897540 0.502208 O\n0.625717 0.767039 0.201582 O\n0.625717 0.732961 0.798418 O\n0.082367 0.968155 0.849596 O\n0.071370 0.287209 0.238395 O\n0.792327 0.542203 0.196692 O\n0.179958 0.250000 0.000000 O\n0.208601 0.784984 0.166514 O\n0.639168 0.089653 0.055283 O\n0.917633 0.468155 0.849596 O\n0.207673 0.042203 0.196692 O\n0.791399 0.215016 0.833486 O\n0.433065 0.622020 0.546699 O\n0.665612 0.437710 0.690432 O\n0.208601 0.715016 0.833486 O\n0.374283 0.232961 0.798418 O\n","nsites":60,"nelements":3,"elements":["Cu","W","O"],"chemical_system":"Cu-O-W","density":4.6028170560710056,"density_atomic":0.05102669335760722,"volume":1175.8551466289557,"volume_molar":11.801942010616685,"formula_full":"Cu6 W12 O42","formula_reduced":"CuW2O7","formula_anonymous":"AB2C7","energy":-490.0602618500001,"energy_per_atom":-8.167671030833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.95026185,"band_gap":0.3526000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0030487,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.498000Z","spacegroup":13},{"id":"mp-768198","created_at":"2022-09-04T14:47:01.370739Z","structure_string":"Li2 Ce2 P2 C2 O14\n1.0\n7.000202 0.000000 0.000000\n0.000000 5.226608 0.000000\n0.000000 0.548165 9.123653\nLi Ce P C O\n2 2 2 2 14\ndirect\n0.505406 0.759725 0.802751 Li\n0.005406 0.240275 0.197249 Li\n0.238674 0.219934 0.657497 Ce\n0.738674 0.780066 0.342503 Ce\n0.740613 0.277596 0.580215 P\n0.240613 0.722404 0.419785 P\n0.265025 0.273797 0.950681 C\n0.765025 0.726203 0.049319 C\n0.717457 0.694834 0.921562 O\n0.270800 0.046624 0.891835 O\n0.303698 0.465221 0.851513 O\n0.921922 0.211717 0.670485 O\n0.564361 0.144061 0.651752 O\n0.264624 0.806595 0.580686 O\n0.709573 0.573449 0.566811 O\n0.209573 0.426551 0.433189 O\n0.764624 0.193405 0.419314 O\n0.064361 0.855939 0.348248 O\n0.421922 0.788283 0.329515 O\n0.803698 0.534779 0.148487 O\n0.770800 0.953376 0.108165 O\n0.217457 0.305166 0.078438 O\n","nsites":22,"nelements":5,"elements":["Li","Ce","P","C","O"],"chemical_system":"C-Ce-Li-O-P","density":3.0049714988919214,"density_atomic":0.0659057672414139,"volume":333.80993683623524,"volume_molar":9.137501939611445,"formula_full":"Li2 Ce2 P2 C2 O14","formula_reduced":"LiCePCO7","formula_anonymous":"ABCDE7","energy":-174.43893304,"energy_per_atom":-7.929042410909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.82093304,"band_gap":1.6015,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001409,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.216000Z","spacegroup":4},{"id":"mp-1181563","created_at":"2022-09-04T14:47:01.371397Z","structure_string":"Eu2 Mn5 Al12\n1.0\n4.549675 2.626756 4.369437\n-4.549675 2.626756 4.369437\n0.000000 -5.253513 4.369437\nEu Mn Al\n2 5 12\ndirect\n0.657134 0.657134 0.657134 Eu\n0.342866 0.342866 0.342866 Eu\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.902421 0.902421 0.902421 Mn\n0.097579 0.097579 0.097579 Mn\n0.282424 0.717576 0.000000 Al\n0.717576 0.000000 0.282424 Al\n0.000000 0.282424 0.717576 Al\n0.282424 0.000000 0.717576 Al\n0.000000 0.717576 0.282424 Al\n0.717576 0.282424 0.000000 Al\n0.335815 0.335815 0.879037 Al\n0.335815 0.879037 0.335815 Al\n0.879037 0.335815 0.335815 Al\n0.664185 0.664185 0.120963 Al\n0.664185 0.120963 0.664185 Al\n0.120963 0.664185 0.664185 Al\n","nsites":19,"nelements":3,"elements":["Eu","Mn","Al"],"chemical_system":"Al-Eu-Mn","density":4.782662064369798,"density_atomic":0.06064244543100794,"volume":313.31190332052216,"volume_molar":9.930570439893136,"formula_full":"Eu2 Mn5 Al12","formula_reduced":"Eu2Mn5Al12","formula_anonymous":"A2B5C12","energy":-116.24092556,"energy_per_atom":-6.117943450526315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.24092556,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.599397,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.396000Z","spacegroup":166},{"id":"mp-1194542","created_at":"2022-09-04T14:47:01.379531Z","structure_string":"Ce4 Al32 Co8\n1.0\n0.000000 0.000000 4.006932\n12.487360 0.000000 0.000000\n0.000000 14.293358 0.000000\nCe Al Co\n4 32 8\ndirect\n0.000000 0.840522 0.181390 Ce\n0.000000 0.159478 0.818610 Ce\n0.000000 0.340522 0.318610 Ce\n0.000000 0.659478 0.681390 Ce\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.659668 0.120798 Al\n0.500000 0.340332 0.879202 Al\n0.500000 0.159668 0.379202 Al\n0.500000 0.840332 0.620798 Al\n0.500000 0.952657 0.320844 Al\n0.500000 0.047343 0.679156 Al\n0.500000 0.452657 0.179156 Al\n0.500000 0.547343 0.820844 Al\n0.500000 0.736256 0.327496 Al\n0.500000 0.263744 0.672504 Al\n0.500000 0.236256 0.172504 Al\n0.500000 0.763744 0.827496 Al\n0.500000 0.831626 0.008764 Al\n0.500000 0.168374 0.991236 Al\n0.500000 0.331626 0.491236 Al\n0.500000 0.668374 0.508764 Al\n0.500000 0.525153 0.368386 Al\n0.500000 0.474847 0.631614 Al\n0.500000 0.025153 0.131614 Al\n0.500000 0.974847 0.868386 Al\n0.000000 0.840317 0.455313 Al\n0.000000 0.159683 0.544687 Al\n0.000000 0.340317 0.044687 Al\n0.000000 0.659683 0.955313 Al\n0.000000 0.596085 0.247063 Al\n0.000000 0.403915 0.752937 Al\n0.000000 0.096085 0.252937 Al\n0.000000 0.903915 0.747063 Al\n0.000000 0.651816 0.403825 Co\n0.000000 0.348184 0.596175 Co\n0.000000 0.151816 0.096175 Co\n0.000000 0.848184 0.903825 Co\n0.000000 0.535274 0.094462 Co\n0.000000 0.464726 0.905538 Co\n0.000000 0.035274 0.405538 Co\n0.000000 0.964726 0.594462 Co\n","nsites":44,"nelements":3,"elements":["Ce","Al","Co"],"chemical_system":"Al-Ce-Co","density":4.4006727462131,"density_atomic":0.06152275861588785,"volume":715.1824948993312,"volume_molar":9.788476484935806,"formula_full":"Ce4 Al32 Co8","formula_reduced":"Ce(Al4Co)2","formula_anonymous":"AB2C8","energy":-221.28936096,"energy_per_atom":-5.029303658181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.28936096,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.692577,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.954000Z","spacegroup":55},{"id":"mp-1045356","created_at":"2022-09-04T14:47:01.380507Z","structure_string":"Y2 Mn4 S8\n1.0\n-3.730183 3.730183 5.542250\n3.730183 -3.730183 5.542250\n3.730183 3.730183 -5.542250\nY Mn S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.375000 0.125000 0.250000 Mn\n0.875000 0.125000 0.250000 Mn\n0.875000 0.625000 0.750000 Mn\n0.875000 0.125000 0.750000 Mn\n0.669658 0.894143 0.775515 S\n0.105857 0.881372 0.775515 S\n0.105857 0.330342 0.224485 S\n0.080342 0.355857 0.724485 S\n0.631372 0.355857 0.275515 S\n0.644143 0.368628 0.724485 S\n0.118628 0.894143 0.224485 S\n0.644143 0.919658 0.275515 S\n","nsites":14,"nelements":3,"elements":["Y","Mn","S"],"chemical_system":"Mn-S-Y","density":3.5210821940142343,"density_atomic":0.04538597350862035,"volume":308.4653455178376,"volume_molar":13.268726644931808,"formula_full":"Y2 Mn4 S8","formula_reduced":"Y(MnS2)2","formula_anonymous":"AB2C4","energy":-99.80536079,"energy_per_atom":-7.1289543421428565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.78136079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0003778,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.981000Z","spacegroup":141},{"id":"mp-22708","created_at":"2022-09-04T14:47:01.382493Z","structure_string":"Th6 Co6 Sb8\n1.0\n-4.802698 4.802698 4.802698\n4.802698 -4.802698 4.802698\n4.802698 4.802698 -4.802698\nTh Co Sb\n6 6 8\ndirect\n0.375000 0.250000 0.625000 Th\n0.750000 0.875000 0.125000 Th\n0.250000 0.625000 0.375000 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750000 Th\n0.125000 0.750000 0.875000 Th\n0.125000 0.875000 0.250000 Co\n0.625000 0.750000 0.375000 Co\n0.875000 0.250000 0.125000 Co\n0.250000 0.125000 0.875000 Co\n0.750000 0.375000 0.625000 Co\n0.375000 0.625000 0.750000 Co\n0.000000 0.340746 0.500000 Sb\n0.840746 0.500000 0.000000 Sb\n0.500000 0.000000 0.840746 Sb\n0.659254 0.659254 0.659254 Sb\n0.159254 0.159254 0.159254 Sb\n0.340746 0.500000 0.000000 Sb\n0.500000 0.000000 0.340746 Sb\n0.000000 0.840746 0.500000 Sb\n","nsites":20,"nelements":3,"elements":["Th","Co","Sb"],"chemical_system":"Co-Sb-Th","density":10.192657007628732,"density_atomic":0.04513507504393195,"volume":443.11436240070765,"volume_molar":13.342485315773565,"formula_full":"Th6 Co6 Sb8","formula_reduced":"Th3Co3Sb4","formula_anonymous":"A3B3C4","energy":-136.17190108,"energy_per_atom":-6.8085950539999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.63590108,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4585131,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.151000Z","spacegroup":220},{"id":"mp-1180291","created_at":"2022-09-04T14:47:01.404852Z","structure_string":"Mn1 Fe2 P2 O18\n1.0\n5.325432 0.000000 0.000000\n-2.495452 6.775206 0.000000\n-1.712387 -1.857458 9.780508\nMn Fe P O\n1 2 2 18\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.491176 0.406811 0.177512 P\n0.508824 0.593189 0.822488 P\n0.565031 0.391312 0.328104 O\n0.434969 0.608688 0.671896 O\n0.752617 0.507927 0.127869 O\n0.247383 0.492073 0.872131 O\n0.359896 0.183717 0.092577 O\n0.640104 0.816283 0.907423 O\n0.298002 0.521894 0.156128 O\n0.701998 0.478106 0.843872 O\n0.000302 0.939263 0.170406 O\n0.999698 0.060737 0.829594 O\n0.306717 0.151695 0.539438 O\n0.693283 0.848305 0.460562 O\n0.195873 0.487764 0.421465 O\n0.804127 0.512236 0.578535 O\n0.628496 0.897526 0.350830 O\n0.371504 0.102474 0.649170 O\n0.134128 0.801018 0.008491 O\n0.865872 0.198982 0.991509 O\n","nsites":23,"nelements":4,"elements":["Mn","Fe","P","O"],"chemical_system":"Fe-Mn-O-P","density":2.430721036943651,"density_atomic":0.06517620590381544,"volume":352.8895197419519,"volume_molar":9.23978417658623,"formula_full":"Mn1 Fe2 P2 O18","formula_reduced":"MnFe2(PO9)2","formula_anonymous":"AB2C2D18","energy":-143.99068623,"energy_per_atom":-6.260464618695652,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.91268623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.0009931,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.233000Z","spacegroup":2},{"id":"mp-763194","created_at":"2022-09-04T14:47:01.385921Z","structure_string":"Li2 Mn4 B4 O12\n1.0\n5.354421 -0.045918 0.003865\n2.634016 4.662178 -0.004045\n-0.180466 0.311939 9.973709\nLi Mn B O\n2 4 4 12\ndirect\n0.128367 0.836746 0.667676 Li\n0.163262 0.871634 0.167669 Li\n0.515440 0.187452 0.127129 Mn\n0.812321 0.484662 0.627096 Mn\n0.167644 0.476991 0.377821 Mn\n0.523005 0.832402 0.877817 Mn\n0.161973 0.493785 0.872830 B\n0.506213 0.838049 0.372834 B\n0.492278 0.155168 0.628235 B\n0.844846 0.507705 0.128238 B\n0.066658 0.554109 0.182252 O\n0.445893 0.933342 0.682239 O\n0.246366 0.399790 0.573498 O\n0.600226 0.753621 0.073496 O\n0.211915 0.717254 0.857557 O\n0.282746 0.788100 0.357558 O\n0.370325 0.232175 0.926441 O\n0.767831 0.629704 0.426431 O\n0.483219 0.101754 0.332817 O\n0.898251 0.516791 0.832789 O\n0.751494 0.135725 0.632265 O\n0.864253 0.248516 0.132271 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.111877263238642,"density_atomic":0.08793113706844115,"volume":250.1957865377803,"volume_molar":6.848701109497391,"formula_full":"Li2 Mn4 B4 O12","formula_reduced":"LiMn2(BO3)2","formula_anonymous":"AB2C2D6","energy":-179.74571989,"energy_per_atom":-8.170259995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.82971989,"band_gap":0.2471999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9978069,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.599000Z","spacegroup":9},{"id":"mp-21274","created_at":"2022-09-04T14:46:57.929388Z","structure_string":"V4 In8 O20\n1.0\n3.569290 0.000000 0.000000\n0.000000 7.326873 0.000000\n0.000000 0.000000 14.984599\nV In O\n4 8 20\ndirect\n0.249999 0.604473 0.074829 V\n0.750001 0.395527 0.925171 V\n0.249999 0.104474 0.425170 V\n0.750001 0.895527 0.574829 V\n0.249999 0.603559 0.418196 In\n0.750001 0.896440 0.918196 In\n0.249999 0.103559 0.081804 In\n0.750001 0.396441 0.581804 In\n0.249999 0.674205 0.760646 In\n0.750001 0.325796 0.239353 In\n0.249999 0.174204 0.739353 In\n0.750001 0.825796 0.260646 In\n0.249999 0.435262 0.958652 O\n0.750001 0.564737 0.041348 O\n0.249999 0.935263 0.541348 O\n0.750001 0.064738 0.458652 O\n0.249999 0.732577 0.176282 O\n0.750001 0.267423 0.823718 O\n0.249999 0.232577 0.323718 O\n0.750001 0.767422 0.676282 O\n0.249999 0.369526 0.151487 O\n0.750001 0.630475 0.848514 O\n0.249999 0.869526 0.348513 O\n0.750001 0.130475 0.651487 O\n0.750001 0.058471 0.175744 O\n0.249999 0.941529 0.824256 O\n0.750001 0.558471 0.324256 O\n0.249999 0.441530 0.675744 O\n0.249999 0.845300 0.004537 O\n0.249999 0.345300 0.495463 O\n0.750001 0.154700 0.995463 O\n0.750001 0.654701 0.504536 O\n","nsites":32,"nelements":3,"elements":["V","In","O"],"chemical_system":"In-O-V","density":6.111649987786993,"density_atomic":0.0816590557901896,"volume":391.8732550890508,"volume_molar":7.374737194455157,"formula_full":"V4 In8 O20","formula_reduced":"VIn2O5","formula_anonymous":"AB2C5","energy":-226.09876139,"energy_per_atom":-7.0655862934375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.55876139,"band_gap":0.197,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9991751,"is_theoretical":false,"updated_at":"2021-11-28T01:37:53.108000Z","spacegroup":62}]}