{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10270","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10268","results":[{"id":"mp-568830","created_at":"2022-09-04T14:40:55.445119Z","structure_string":"Tm1 In1 Au2\n1.0\n0.000000 3.481906 3.481906\n3.481906 0.000000 3.481906\n3.481906 3.481906 0.000000\nTm In Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Tm","In","Au"],"chemical_system":"Au-In-Tm","density":13.328954043041616,"density_atomic":0.04737823398153617,"volume":84.42695440186405,"volume_molar":12.710775083653173,"formula_full":"Tm1 In1 Au2","formula_reduced":"TmInAu2","formula_anonymous":"ABC2","energy":-16.55871757,"energy_per_atom":-4.1396793925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.55871757,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.603000Z","spacegroup":225},{"id":"mp-1009755","created_at":"2022-09-04T14:40:55.445713Z","structure_string":"Ca2 Ge1\n1.0\n0.000000 3.609688 3.609688\n3.609688 0.000000 3.609688\n3.609688 3.609688 0.000000\nCa Ge\n2 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ge\n","nsites":3,"nelements":2,"elements":["Ca","Ge"],"chemical_system":"Ca-Ge","density":2.6972555155768045,"density_atomic":0.03189203719882041,"volume":94.06736801721028,"volume_molar":18.88289770407875,"formula_full":"Ca2 Ge1","formula_reduced":"Ca2Ge","formula_anonymous":"AB2","energy":-10.42849188,"energy_per_atom":-3.4761639599999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.42849188,"band_gap":0.5756000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001465,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.111000Z","spacegroup":225},{"id":"mp-1183167","created_at":"2022-09-04T14:40:55.461187Z","structure_string":"Ag1 Pd1 Au2\n1.0\n0.000000 3.270925 3.270925\n3.270925 0.000000 3.270925\n3.270925 3.270925 0.000000\nAg Pd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Ag","Pd","Au"],"chemical_system":"Ag-Au-Pd","density":14.430088530164321,"density_atomic":0.05715026350354175,"volume":69.99092838394542,"volume_molar":10.537380566279964,"formula_full":"Ag1 Pd1 Au2","formula_reduced":"AgPdAu2","formula_anonymous":"ABC2","energy":-14.83200661,"energy_per_atom":-3.7080016525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.83200661,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000197,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.742000Z","spacegroup":225},{"id":"mp-1099286","created_at":"2022-09-04T14:40:55.466099Z","structure_string":"La1 Mg6 Co1\n1.0\n3.231402 -5.759879 0.000000\n3.231402 5.759879 0.000000\n0.000000 0.000000 4.891455\nLa Mg Co\n1 6 1\ndirect\n0.309160 0.690840 0.500000 La\n0.168284 0.300630 0.000000 Mg\n0.699370 0.831716 0.000000 Mg\n0.670856 0.329144 0.000000 Mg\n0.313559 0.164143 0.500000 Mg\n0.835857 0.686441 0.500000 Mg\n0.839309 0.160691 0.500000 Mg\n0.163607 0.836393 0.000000 Co\n","nsites":8,"nelements":3,"elements":["La","Mg","Co"],"chemical_system":"Co-La-Mg","density":3.1341272510630445,"density_atomic":0.04393570294731647,"volume":182.08426093905547,"volume_molar":13.706713119444524,"formula_full":"La1 Mg6 Co1","formula_reduced":"LaMg6Co","formula_anonymous":"ABC6","energy":-20.41136479,"energy_per_atom":-2.55142059875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.41136479,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025275,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.219000Z","spacegroup":38},{"id":"mp-669353","created_at":"2022-09-04T14:40:55.468522Z","structure_string":"Cs8 Te4 O16\n1.0\n6.747130 0.000000 0.000000\n0.000000 8.739824 0.000000\n0.000000 0.000000 11.947660\nCs Te O\n8 4 16\ndirect\n0.750000 0.672639 0.415563 Cs\n0.250000 0.003519 0.285566 Cs\n0.750000 0.996481 0.714434 Cs\n0.250000 0.327361 0.584437 Cs\n0.250000 0.503519 0.214434 Cs\n0.250000 0.827361 0.915563 Cs\n0.750000 0.172639 0.084437 Cs\n0.750000 0.496481 0.785566 Cs\n0.750000 0.719139 0.078274 Te\n0.750000 0.219139 0.421726 Te\n0.250000 0.280861 0.921726 Te\n0.250000 0.780861 0.578274 Te\n0.750000 0.308048 0.562821 O\n0.525374 0.786309 0.152908 O\n0.250000 0.491934 0.929299 O\n0.250000 0.991934 0.570701 O\n0.474626 0.213691 0.847092 O\n0.750000 0.808048 0.937179 O\n0.250000 0.191952 0.062821 O\n0.474626 0.713691 0.652908 O\n0.025374 0.213691 0.847092 O\n0.974626 0.786309 0.152908 O\n0.974626 0.286309 0.347092 O\n0.750000 0.508066 0.070701 O\n0.525374 0.286309 0.347092 O\n0.025374 0.713691 0.652908 O\n0.250000 0.691952 0.437179 O\n0.750000 0.008066 0.429299 O\n","nsites":28,"nelements":3,"elements":["Cs","Te","O"],"chemical_system":"Cs-O-Te","density":4.312297384535007,"density_atomic":0.03974233786498496,"volume":704.5383212010141,"volume_molar":15.152960503880712,"formula_full":"Cs8 Te4 O16","formula_reduced":"Cs2TeO4","formula_anonymous":"AB2C4","energy":-149.3185882,"energy_per_atom":-5.332806721428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.3265882,"band_gap":2.8469,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0048667,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.127000Z","spacegroup":62},{"id":"mp-1029702","created_at":"2022-09-04T14:40:55.474384Z","structure_string":"Mg4 Ti4 N8\n1.0\n4.283252 0.000000 0.000000\n0.000000 6.124453 0.000000\n0.000000 0.000000 7.120617\nMg Ti N\n4 4 8\ndirect\n0.750000 0.583952 0.119899 Mg\n0.250000 0.416048 0.880101 Mg\n0.250000 0.916048 0.619899 Mg\n0.750000 0.083952 0.380101 Mg\n0.750000 0.576956 0.628079 Ti\n0.250000 0.423044 0.371921 Ti\n0.250000 0.923044 0.128079 Ti\n0.750000 0.076956 0.871921 Ti\n0.250000 0.571344 0.611832 N\n0.750000 0.428656 0.388168 N\n0.750000 0.928656 0.111832 N\n0.250000 0.071344 0.888168 N\n0.250000 0.596950 0.140014 N\n0.750000 0.403050 0.859986 N\n0.750000 0.903050 0.640014 N\n0.250000 0.096950 0.359986 N\n","nsites":16,"nelements":3,"elements":["Mg","Ti","N"],"chemical_system":"Mg-N-Ti","density":3.562500762679103,"density_atomic":0.08565671667877721,"volume":186.79212349455196,"volume_molar":7.030552878396844,"formula_full":"Mg4 Ti4 N8","formula_reduced":"MgTiN2","formula_anonymous":"ABC2","energy":-128.17749132,"energy_per_atom":-8.0110932075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.28949132,"band_gap":2.6450000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006657,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.391000Z","spacegroup":62},{"id":"mp-515","created_at":"2022-09-04T14:40:55.483930Z","structure_string":"Tm1 Tl1\n1.0\n3.761822 0.000000 0.000000\n0.000000 3.761822 0.000000\n0.000000 0.000000 3.761822\nTm Tl\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Tl\n","nsites":2,"nelements":2,"elements":["Tm","Tl"],"chemical_system":"Tl-Tm","density":11.644818718117994,"density_atomic":0.03756948741537659,"volume":53.23468957368399,"volume_molar":16.02933969638147,"formula_full":"Tm1 Tl1","formula_reduced":"TmTl","formula_anonymous":"AB","energy":-7.39493066,"energy_per_atom":-3.69746533,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.39493066,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.99e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.367000Z","spacegroup":221},{"id":"mp-672155","created_at":"2022-09-04T14:40:55.519327Z","structure_string":"Rb4 V2 Cu2 S8\n1.0\n0.000000 6.814159 11.955503\n2.726186 0.000000 11.955503\n2.726186 6.814159 0.000000\nRb V Cu S\n4 2 2 8\ndirect\n0.947216 0.943511 0.303262 Rb\n0.300262 0.301639 0.953778 Rb\n0.690481 0.704355 0.062454 Rb\n0.056853 0.049656 0.700095 Rb\n0.121569 0.126268 0.122182 V\n0.875760 0.875267 0.867706 V\n0.380209 0.371007 0.376755 Cu\n0.627459 0.622981 0.629756 Cu\n0.603086 0.253522 0.966780 S\n0.692148 0.956012 0.247788 S\n0.960086 0.684454 0.610706 S\n0.249518 0.601940 0.682021 S\n0.758300 0.387861 0.306397 S\n0.322102 0.030172 0.745376 S\n0.036288 0.321631 0.401415 S\n0.389255 0.753513 0.041397 S\n","nsites":16,"nelements":4,"elements":["Rb","V","Cu","S"],"chemical_system":"Cu-Rb-S-V","density":3.093009669049532,"density_atomic":0.03602088575625977,"volume":444.1867451085511,"volume_molar":16.7184693923121,"formula_full":"Rb4 V2 Cu2 S8","formula_reduced":"Rb2VCuS4","formula_anonymous":"ABC2D4","energy":-83.68010088,"energy_per_atom":-5.230006305,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.65610088,"band_gap":1.2306,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004436,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.391000Z","spacegroup":5},{"id":"mp-1245110","created_at":"2022-09-04T14:40:55.520733Z","structure_string":"Al36 O18\n1.0\n5.704650 0.015562 -0.055641\n2.866135 4.875769 0.027300\n-0.483745 0.546659 49.776383\nAl O\n36 18\ndirect\n0.456356 0.512882 0.999821 Al\n0.956689 0.513055 0.999727 Al\n0.457695 0.013401 0.999069 Al\n0.139051 0.165409 0.046722 Al\n0.133806 0.665583 0.047188 Al\n0.635227 0.669247 0.046629 Al\n0.635717 0.165875 0.046872 Al\n0.314576 0.321218 0.093093 Al\n0.314686 0.821177 0.092989 Al\n0.812442 0.821467 0.093421 Al\n0.814552 0.321792 0.092192 Al\n0.989384 0.477989 0.139746 Al\n0.493666 0.473814 0.139611 Al\n0.488684 0.975752 0.140144 Al\n0.989454 0.980494 0.139675 Al\n0.169270 0.133955 0.186750 Al\n0.665888 0.130867 0.186437 Al\n0.668672 0.634698 0.186734 Al\n0.169035 0.634300 0.184494 Al\n0.846773 0.286809 0.231701 Al\n0.340587 0.783637 0.231554 Al\n0.349931 0.297734 0.232688 Al\n0.852877 0.787637 0.231843 Al\n0.946004 0.378929 0.280072 Al\n0.474300 0.983569 0.292359 Al\n0.439114 0.463535 0.310438 Al\n0.991970 0.975137 0.328468 Al\n0.279286 0.726566 0.374083 Al\n0.810735 0.298918 0.386834 Al\n0.675847 0.840563 0.392744 Al\n0.250151 0.393023 0.419662 Al\n0.218833 0.955327 0.437815 Al\n0.163946 0.674911 0.480399 Al\n0.538087 0.122781 0.479043 Al\n0.896353 0.394233 0.485986 Al\n0.957003 0.013097 0.000139 Al\n0.242049 0.406316 0.286893 O\n0.528210 0.958618 0.256173 O\n0.645082 0.602981 0.299839 O\n0.137317 0.054249 0.301780 O\n0.657629 0.090845 0.316416 O\n0.236531 0.629804 0.338439 O\n0.022741 0.074244 0.362032 O\n0.642352 0.618404 0.367702 O\n0.042464 0.665873 0.393250 O\n0.551523 0.209259 0.394320 O\n0.416697 0.796057 0.407805 O\n0.991993 0.275374 0.417378 O\n0.183243 0.652946 0.443862 O\n0.435425 0.107295 0.445215 O\n0.077621 0.032453 0.473866 O\n0.796713 0.773434 0.486966 O\n0.572238 0.430379 0.484484 O\n0.219972 0.344415 0.496069 O\n","nsites":54,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":1.5131561570459229,"density_atomic":0.03907425696216033,"volume":1381.9840528840718,"volume_molar":15.412041656561415,"formula_full":"Al36 O18","formula_reduced":"Al2O","formula_anonymous":"AB2","energy":-316.78746061,"energy_per_atom":-5.86643445574074,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.42146061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.28e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.535000Z","spacegroup":1},{"id":"mp-15728","created_at":"2022-09-04T14:40:55.549655Z","structure_string":"Mg8 Ag8 P24 O72\n1.0\n10.185298 0.000000 0.000000\n0.000000 10.886770 0.000000\n0.000000 0.000000 14.122821\nMg Ag P O\n8 8 24 72\ndirect\n0.968824 0.500000 0.750000 Mg\n0.468824 0.500000 0.750000 Mg\n0.031176 0.500000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.531176 0.500000 0.250000 Mg\n0.479744 0.752729 0.124265 Ag\n0.479744 0.247271 0.375735 Ag\n0.020256 0.752729 0.875735 Ag\n0.020256 0.247271 0.624265 Ag\n0.520256 0.247271 0.875735 Ag\n0.520256 0.752729 0.624265 Ag\n0.979744 0.247271 0.124265 Ag\n0.979744 0.752729 0.375735 Ag\n0.945638 0.747713 0.125620 P\n0.445638 0.252287 0.125620 P\n0.054362 0.747713 0.625620 P\n0.054362 0.252287 0.874380 P\n0.554362 0.252287 0.625620 P\n0.554362 0.747713 0.874380 P\n0.945638 0.252287 0.374380 P\n0.445638 0.747713 0.374380 P\n0.261168 0.954259 0.351708 P\n0.261168 0.045741 0.148292 P\n0.238832 0.954259 0.648292 P\n0.238832 0.045741 0.851708 P\n0.786039 0.526984 0.100812 P\n0.738832 0.954259 0.851708 P\n0.761168 0.045741 0.351708 P\n0.761168 0.954259 0.148292 P\n0.786039 0.473016 0.399188 P\n0.713961 0.526984 0.899188 P\n0.713961 0.473016 0.600812 P\n0.213961 0.473016 0.899188 P\n0.213961 0.526984 0.600812 P\n0.286039 0.473016 0.100812 P\n0.286039 0.526984 0.399188 P\n0.738832 0.045741 0.648292 P\n0.163333 0.561265 0.347752 O\n0.163333 0.438735 0.152248 O\n0.336667 0.561265 0.652248 O\n0.336667 0.438735 0.847752 O\n0.836667 0.438735 0.652248 O\n0.836667 0.561265 0.847752 O\n0.663333 0.438735 0.347752 O\n0.663333 0.561265 0.152248 O\n0.384190 0.555084 0.149356 O\n0.384190 0.444916 0.350644 O\n0.115810 0.555084 0.850644 O\n0.115810 0.444916 0.649356 O\n0.615810 0.444916 0.850644 O\n0.615810 0.555084 0.649356 O\n0.884190 0.444916 0.149356 O\n0.884190 0.555084 0.350644 O\n0.518710 0.824678 0.444952 O\n0.518710 0.175322 0.055048 O\n0.981290 0.824678 0.555048 O\n0.981290 0.175322 0.944952 O\n0.481290 0.175322 0.555048 O\n0.481290 0.824678 0.944952 O\n0.018710 0.175322 0.444952 O\n0.018710 0.824678 0.055048 O\n0.019411 0.680681 0.201603 O\n0.019411 0.319319 0.298397 O\n0.480589 0.680681 0.798397 O\n0.139939 0.922170 0.407217 O\n0.480589 0.319319 0.701603 O\n0.980589 0.680681 0.701603 O\n0.519411 0.319319 0.201603 O\n0.519411 0.680681 0.298397 O\n0.359150 0.958678 0.105434 O\n0.359150 0.041322 0.394566 O\n0.140850 0.958678 0.894566 O\n0.140850 0.041322 0.605434 O\n0.640850 0.041322 0.894566 O\n0.640850 0.958678 0.605434 O\n0.859150 0.041322 0.105434 O\n0.859150 0.958678 0.394566 O\n0.710193 0.000000 0.250000 O\n0.789807 0.000000 0.750000 O\n0.289807 0.000000 0.750000 O\n0.210193 0.000000 0.250000 O\n0.835116 0.828665 0.179584 O\n0.835116 0.171335 0.320416 O\n0.664884 0.828665 0.820416 O\n0.664884 0.171335 0.679584 O\n0.164884 0.171335 0.820416 O\n0.164884 0.828665 0.679584 O\n0.335116 0.171335 0.179584 O\n0.335116 0.828665 0.320416 O\n0.859692 0.650953 0.064928 O\n0.859692 0.349047 0.435072 O\n0.640308 0.650953 0.935072 O\n0.640308 0.349047 0.564928 O\n0.140308 0.349047 0.935072 O\n0.140308 0.650953 0.564928 O\n0.359692 0.349047 0.064928 O\n0.359692 0.650953 0.435072 O\n0.750000 0.534157 0.500000 O\n0.750000 0.465843 0.000000 O\n0.250000 0.465843 0.500000 O\n0.250000 0.534157 0.000000 O\n0.639939 0.922170 0.092783 O\n0.639939 0.077830 0.407217 O\n0.860061 0.922170 0.907217 O\n0.860061 0.077830 0.592783 O\n0.360061 0.077830 0.907217 O\n0.360061 0.922170 0.592783 O\n0.139939 0.077830 0.092783 O\n0.980589 0.319319 0.798397 O\n","nsites":112,"nelements":4,"elements":["Mg","Ag","P","O"],"chemical_system":"Ag-Mg-O-P","density":3.130949372475633,"density_atomic":0.07151938644969023,"volume":1566.008960085047,"volume_molar":8.420291418797657,"formula_full":"Mg8 Ag8 P24 O72","formula_reduced":"MgAg(PO3)3","formula_anonymous":"ABC3D9","energy":-805.92981923,"energy_per_atom":-7.195801957410715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-756.46581923,"band_gap":3.3422,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.791000Z","spacegroup":54},{"id":"mp-1186397","created_at":"2022-09-04T14:40:55.557504Z","structure_string":"Pa1 Cd1\n1.0\n1.557878 -2.698324 0.000000\n1.557878 2.698324 0.000000\n0.000000 0.000000 5.776866\nPa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Pa\n0.333333 0.666667 0.500000 Cd\n","nsites":2,"nelements":2,"elements":["Pa","Cd"],"chemical_system":"Cd-Pa","density":11.74245333449293,"density_atomic":0.041179414337661355,"volume":48.56795639686563,"volume_molar":14.624153492373363,"formula_full":"Pa1 Cd1","formula_reduced":"PaCd","formula_anonymous":"AB","energy":-10.29396869,"energy_per_atom":-5.146984345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.29396869,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0195753,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.491000Z","spacegroup":187},{"id":"mp-1201259","created_at":"2022-09-04T14:40:55.489626Z","structure_string":"Na4 Ti4 As4 O20\n1.0\n8.909641 0.000000 0.000000\n0.000000 6.838711 0.000000\n0.000000 3.083613 6.625053\nNa Ti As O\n4 4 4 20\ndirect\n0.424706 0.248659 0.761796 Na\n0.924706 0.751341 0.738204 Na\n0.575294 0.751341 0.238204 Na\n0.075294 0.248659 0.261796 Na\n0.243355 0.748754 0.980364 Ti\n0.743355 0.251246 0.519636 Ti\n0.756645 0.251246 0.019636 Ti\n0.256645 0.748754 0.480364 Ti\n0.066737 0.249763 0.750925 As\n0.566737 0.750237 0.749075 As\n0.933263 0.750237 0.249075 As\n0.433263 0.249763 0.250925 As\n0.183442 0.054654 0.917376 O\n0.683442 0.945346 0.582624 O\n0.816558 0.945346 0.082624 O\n0.316558 0.054654 0.417376 O\n0.187712 0.437515 0.587821 O\n0.687712 0.562485 0.912179 O\n0.812288 0.562485 0.412179 O\n0.312288 0.437515 0.087821 O\n0.958594 0.150555 0.612903 O\n0.458594 0.849445 0.887097 O\n0.041406 0.849445 0.387097 O\n0.541406 0.150555 0.112903 O\n0.960960 0.355408 0.885272 O\n0.460960 0.644592 0.614728 O\n0.039040 0.644592 0.114728 O\n0.539040 0.355408 0.385272 O\n0.186391 0.749318 0.751502 O\n0.686391 0.250682 0.748498 O\n0.813609 0.250682 0.248498 O\n0.313609 0.749318 0.251502 O\n","nsites":32,"nelements":4,"elements":["Na","Ti","As","O"],"chemical_system":"As-Na-O-Ti","density":3.7150258229686695,"density_atomic":0.0792731590236063,"volume":403.6675262363508,"volume_molar":7.59669582261343,"formula_full":"Na4 Ti4 As4 O20","formula_reduced":"NaTiAsO5","formula_anonymous":"ABCD5","energy":-235.35094791,"energy_per_atom":-7.3547171221875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.61094791,"band_gap":2.9036,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.823000Z","spacegroup":14}]}