{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10184","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10182","results":[{"id":"mp-1078445","created_at":"2022-09-04T14:44:19.498757Z","structure_string":"Nd4 Bi2 N2\n1.0\n4.743924 0.000000 0.000000\n0.000000 4.743924 0.000000\n0.000000 0.000000 9.414529\nNd Bi N\n4 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.500000 0.674677 Nd\n0.500000 0.000000 0.325323 Nd\n0.000000 0.500000 0.306035 Bi\n0.500000 0.000000 0.693965 Bi\n0.000000 0.500000 0.917306 N\n0.500000 0.000000 0.082694 N\n","nsites":8,"nelements":3,"elements":["Nd","Bi","N"],"chemical_system":"Bi-N-Nd","density":8.01726335000653,"density_atomic":0.037758605262673405,"volume":211.87223268303475,"volume_molar":15.949055104408846,"formula_full":"Nd4 Bi2 N2","formula_reduced":"Nd2BiN","formula_anonymous":"ABC2","energy":-53.491083190000005,"energy_per_atom":-6.686385398750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.76908319,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.854000Z","spacegroup":129},{"id":"mp-1211055","created_at":"2022-09-04T14:44:12.703105Z","structure_string":"Li2 Pt6 O8\n1.0\n5.733604 0.000000 0.000000\n0.000000 5.733604 0.000000\n0.000000 0.000000 5.733604\nLi Pt O\n2 6 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.000000 0.500000 Pt\n0.750000 0.000000 0.500000 Pt\n0.500000 0.250000 0.000000 Pt\n0.500000 0.750000 0.000000 Pt\n0.000000 0.500000 0.250000 Pt\n0.000000 0.500000 0.750000 Pt\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.250000 0.250000 O\n","nsites":16,"nelements":3,"elements":["Li","Pt","O"],"chemical_system":"Li-O-Pt","density":11.561814962921224,"density_atomic":0.08488616224840448,"volume":188.4877296393587,"volume_molar":7.094372746381514,"formula_full":"Li2 Pt6 O8","formula_reduced":"LiPt3O4","formula_anonymous":"AB3C4","energy":-97.19931213,"energy_per_atom":-6.074957008125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.70331213,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058094,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.911000Z","spacegroup":223},{"id":"mp-31428","created_at":"2022-09-04T14:44:12.708161Z","structure_string":"U1 Ga3 Ni1\n1.0\n-2.033352 2.033352 5.258529\n2.033352 -2.033352 5.258529\n2.033352 2.033352 -5.258529\nU Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 U\n0.615977 0.615977 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.384023 0.384023 0.000000 Ga\n0.250000 0.750000 0.500000 Ni\n","nsites":5,"nelements":3,"elements":["U","Ga","Ni"],"chemical_system":"Ga-Ni-U","density":9.659550507753595,"density_atomic":0.057493745895856894,"volume":86.96598077044601,"volume_molar":10.474427550621584,"formula_full":"U1 Ga3 Ni1","formula_reduced":"UGa3Ni","formula_anonymous":"ABC3","energy":-27.11673848,"energy_per_atom":-5.4233476959999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.11673848,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.309489,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.981000Z","spacegroup":119},{"id":"mp-1225028","created_at":"2022-09-04T14:44:12.708969Z","structure_string":"Fe1 Co1 Bi2 O6\n1.0\n3.762837 0.000000 0.000000\n0.000000 3.762837 0.000000\n0.000000 0.000000 9.763541\nFe Co Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.787739 Fe\n0.500000 0.500000 0.286002 Co\n0.000000 0.000000 0.004138 Bi\n0.000000 0.000000 0.497756 Bi\n0.500000 0.500000 0.105309 O\n0.500000 0.500000 0.600950 O\n0.000000 0.500000 0.362792 O\n0.000000 0.500000 0.868161 O\n0.500000 0.000000 0.362792 O\n0.500000 0.000000 0.868161 O\n","nsites":10,"nelements":4,"elements":["Fe","Co","Bi","O"],"chemical_system":"Bi-Co-Fe-O","density":7.552293188653859,"density_atomic":0.07233722329022056,"volume":138.24141355107727,"volume_molar":8.325092512659587,"formula_full":"Fe1 Co1 Bi2 O6","formula_reduced":"FeCo(BiO3)2","formula_anonymous":"ABC2D6","energy":-68.2602624,"energy_per_atom":-6.82602624,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.2442624,"band_gap":0.5354999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.9991275,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.671000Z","spacegroup":99},{"id":"mp-1247095","created_at":"2022-09-04T14:44:12.711716Z","structure_string":"Sr6 Au2 N6\n1.0\n7.033780 -0.442161 0.000000\n-3.917536 7.394783 0.000000\n0.000000 0.000000 5.369452\nSr Au N\n6 2 6\ndirect\n0.900705 0.608257 0.250000 Sr\n0.699328 0.121371 0.250000 Sr\n0.198762 0.137233 0.250000 Sr\n0.099295 0.391743 0.750000 Sr\n0.300672 0.878629 0.750000 Sr\n0.801238 0.862767 0.750000 Sr\n0.576073 0.333527 0.750000 Au\n0.423927 0.666473 0.250000 Au\n0.879624 0.577427 0.750000 N\n0.711572 0.120993 0.750000 N\n0.231902 0.141924 0.750000 N\n0.120376 0.422573 0.250000 N\n0.288428 0.879007 0.250000 N\n0.768098 0.858076 0.250000 N\n","nsites":14,"nelements":3,"elements":["Sr","Au","N"],"chemical_system":"Au-N-Sr","density":6.17327247861785,"density_atomic":0.05185532292582117,"volume":269.9819268318306,"volume_molar":11.613351185980749,"formula_full":"Sr6 Au2 N6","formula_reduced":"Sr3AuN3","formula_anonymous":"AB3C3","energy":-72.06412008,"energy_per_atom":-5.147437148571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.89812008,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8446477,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.338000Z","spacegroup":11},{"id":"mp-510730","created_at":"2022-09-04T14:44:12.714995Z","structure_string":"K4 Fe2 H24 S4 O28\n1.0\n12.448114 0.000000 0.000000\n0.000000 6.251497 0.000000\n0.000000 2.198689 8.828154\nK Fe H S O\n4 2 24 4 28\ndirect\n0.154089 0.654653 0.635126 K\n0.845911 0.345347 0.364874 K\n0.345911 0.654653 0.135126 K\n0.654089 0.345347 0.864874 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.090416 0.671621 0.222886 H\n0.807227 0.998165 0.145908 H\n0.604808 0.927127 0.774564 H\n0.625321 0.096436 0.246245 H\n0.125321 0.903564 0.253755 H\n0.590416 0.328379 0.277114 H\n0.563382 0.659085 0.395583 H\n0.063382 0.340915 0.104417 H\n0.409584 0.671621 0.722886 H\n0.307227 0.001835 0.354092 H\n0.436618 0.340915 0.604417 H\n0.936618 0.659085 0.895583 H\n0.646173 0.667400 0.528098 H\n0.104808 0.072873 0.725436 H\n0.853827 0.667400 0.028098 H\n0.374679 0.903564 0.753755 H\n0.395192 0.072873 0.225436 H\n0.895192 0.927127 0.274564 H\n0.692773 0.998165 0.645908 H\n0.909584 0.328379 0.777114 H\n0.874679 0.096436 0.746245 H\n0.192773 0.001835 0.854092 H\n0.146173 0.332600 0.971902 H\n0.353827 0.332600 0.471902 H\n0.362362 0.272873 0.910388 S\n0.862362 0.727127 0.589612 S\n0.637638 0.727127 0.089612 S\n0.137638 0.272873 0.410388 S\n0.936680 0.618180 0.715283 O\n0.328128 0.051452 0.890278 O\n0.118656 0.968176 0.825593 O\n0.570112 0.698627 0.494645 O\n0.080549 0.248371 0.556960 O\n0.171872 0.051452 0.390278 O\n0.766148 0.581771 0.594682 O\n0.881344 0.031824 0.174407 O\n0.886602 0.175743 0.826918 O\n0.436680 0.381820 0.784717 O\n0.063320 0.381820 0.284717 O\n0.266148 0.418229 0.905318 O\n0.828128 0.948548 0.609722 O\n0.233852 0.418229 0.405318 O\n0.919451 0.751629 0.443040 O\n0.613398 0.175743 0.326918 O\n0.733852 0.581771 0.094682 O\n0.381344 0.968176 0.325593 O\n0.386602 0.824257 0.673082 O\n0.618656 0.031824 0.674407 O\n0.429888 0.301373 0.505355 O\n0.113398 0.824257 0.173082 O\n0.580549 0.751629 0.943040 O\n0.419451 0.248371 0.056960 O\n0.929888 0.698627 0.994645 O\n0.070112 0.301373 0.005355 O\n0.671872 0.948548 0.109722 O\n0.563320 0.618180 0.215283 O\n","nsites":62,"nelements":5,"elements":["K","Fe","H","S","O"],"chemical_system":"Fe-H-K-O-S","density":2.09927781650974,"density_atomic":0.09024729737040824,"volume":687.0011823792252,"volume_molar":6.672931971893751,"formula_full":"K4 Fe2 H24 S4 O28","formula_reduced":"K2FeH12(SO7)2","formula_anonymous":"AB2C2D12E14","energy":-358.58858506,"energy_per_atom":-5.783686855806452,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.84058506,"band_gap":1.1225999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000062,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.851000Z","spacegroup":14},{"id":"mp-887523","created_at":"2022-09-04T14:44:12.733371Z","structure_string":"Fe10 O4 F16\n1.0\n3.388884 3.420897 0.000000\n-3.388884 3.420897 0.000000\n0.000000 0.090741 16.027271\nFe O F\n10 4 16\ndirect\n0.970830 0.972101 0.399092 Fe\n0.027899 0.029170 0.600908 Fe\n0.984000 0.996607 0.807600 Fe\n0.963635 0.036365 0.000000 Fe\n0.003393 0.016000 0.192400 Fe\n0.499338 0.500662 0.500000 Fe\n0.515295 0.484916 0.900501 Fe\n0.485357 0.488981 0.692793 Fe\n0.515084 0.484705 0.099499 Fe\n0.511019 0.514643 0.307207 Fe\n0.810666 0.196317 0.902216 O\n0.803683 0.189333 0.097784 O\n0.323365 0.327517 0.596038 O\n0.672483 0.676635 0.403962 O\n0.795731 0.204269 0.500000 F\n0.793388 0.210212 0.698035 F\n0.789788 0.206612 0.301965 F\n0.293372 0.296643 0.401894 F\n0.303366 0.303095 0.787102 F\n0.296186 0.287460 0.000353 F\n0.310785 0.310200 0.217109 F\n0.703357 0.706628 0.598106 F\n0.689800 0.689215 0.782891 F\n0.712540 0.703814 0.999647 F\n0.696905 0.696634 0.212898 F\n0.202605 0.797395 0.500000 F\n0.208357 0.788441 0.903691 F\n0.203693 0.797481 0.700712 F\n0.202519 0.796307 0.299288 F\n0.211559 0.791643 0.096309 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.1397270171538985,"density_atomic":0.08073000458570365,"volume":371.6090461527442,"volume_molar":7.459606612070541,"formula_full":"Fe10 O4 F16","formula_reduced":"Fe5(OF4)2","formula_anonymous":"A2B5C8","energy":-204.94665082,"energy_per_atom":-6.831555027333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.24665082,"band_gap":0.9513999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":43.9995065,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.685000Z","spacegroup":5},{"id":"mp-1209656","created_at":"2022-09-04T14:44:12.768748Z","structure_string":"Rb4 Hg4 C12 N12 O12\n1.0\n4.198283 0.000000 0.000000\n0.000000 10.741549 0.000000\n0.000000 0.000000 18.406069\nRb Hg C N O\n4 4 12 12 12\ndirect\n0.250000 0.570289 0.342270 Rb\n0.750000 0.429711 0.657730 Rb\n0.750000 0.929711 0.842270 Rb\n0.250000 0.070289 0.157730 Rb\n0.250000 0.648688 0.960275 Hg\n0.750000 0.351312 0.039725 Hg\n0.750000 0.851312 0.460275 Hg\n0.250000 0.148688 0.539725 Hg\n0.250000 0.642758 0.794527 C\n0.750000 0.357242 0.205473 C\n0.750000 0.857242 0.294527 C\n0.250000 0.142758 0.705473 C\n0.250000 0.636944 0.528757 C\n0.750000 0.363056 0.471243 C\n0.750000 0.863056 0.028757 C\n0.250000 0.136944 0.971243 C\n0.250000 0.600124 0.121410 C\n0.750000 0.399876 0.878590 C\n0.750000 0.899876 0.621410 C\n0.250000 0.100124 0.378590 C\n0.250000 0.551687 0.061903 N\n0.750000 0.448313 0.938097 N\n0.750000 0.948313 0.561903 N\n0.250000 0.051687 0.438097 N\n0.250000 0.227071 0.010284 N\n0.750000 0.772929 0.989716 N\n0.750000 0.272929 0.510284 N\n0.250000 0.727071 0.489716 N\n0.250000 0.706979 0.848539 N\n0.750000 0.293021 0.151461 N\n0.750000 0.793021 0.348539 N\n0.250000 0.206979 0.651461 N\n0.250000 0.545041 0.567093 O\n0.750000 0.454959 0.432907 O\n0.750000 0.954959 0.067093 O\n0.250000 0.045041 0.932907 O\n0.250000 0.639738 0.182378 O\n0.750000 0.360262 0.817622 O\n0.750000 0.860262 0.682378 O\n0.250000 0.139738 0.317622 O\n0.250000 0.586329 0.738113 O\n0.750000 0.413671 0.261887 O\n0.750000 0.913671 0.238113 O\n0.250000 0.086329 0.761887 O\n","nsites":44,"nelements":5,"elements":["Rb","Hg","C","N","O"],"chemical_system":"C-Hg-N-O-Rb","density":3.29777236849729,"density_atomic":0.053009414383969,"volume":830.0412391144315,"volume_molar":11.360511769436192,"formula_full":"Rb4 Hg4 C12 N12 O12","formula_reduced":"RbHgC3(NO)3","formula_anonymous":"ABC3D3E3","energy":-312.88021899,"energy_per_atom":-7.110914067954545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.30421899,"band_gap":3.2812,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0048784,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.961000Z","spacegroup":62},{"id":"mp-2920","created_at":"2022-09-04T14:44:12.800714Z","structure_string":"La2 Al2 O6\n1.0\n4.665399 -2.705700 0.000000\n4.665399 2.705700 0.000000\n3.096226 0.000000 4.415897\nLa Al O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.789219 0.710781 O\n0.710781 0.250000 0.789219 O\n0.789219 0.710781 0.250000 O\n0.750000 0.210781 0.289219 O\n0.210781 0.289219 0.750000 O\n0.289219 0.750000 0.210781 O\n","nsites":10,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":6.371511635111078,"density_atomic":0.08969797440653073,"volume":111.48523772318231,"volume_molar":6.713797942310658,"formula_full":"La2 Al2 O6","formula_reduced":"LaAlO3","formula_anonymous":"ABC3","energy":-84.27286556,"energy_per_atom":-8.427286556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.15086556,"band_gap":4.0189,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001884,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.094000Z","spacegroup":167},{"id":"mp-1661354","created_at":"2022-09-04T14:44:12.739333Z","structure_string":"Li4 Co4 P4 O16\n1.0\n-0.067060 0.000159 4.972124\n7.283014 -0.000281 0.105503\n0.000213 9.601981 0.000032\nLi Co P O\n4 4 4 16\ndirect\n0.104977 0.233498 0.435195 Li\n0.895040 0.766504 0.935222 Li\n0.603083 0.265735 0.654345 Li\n0.396914 0.734278 0.154341 Li\n0.708294 0.915756 0.523318 Co\n0.792787 0.416411 0.072545 Co\n0.291681 0.084230 0.023310 Co\n0.207208 0.583561 0.572550 Co\n0.864600 0.004602 0.197992 P\n0.135397 0.995416 0.697986 P\n0.363123 0.493816 0.896650 P\n0.636886 0.506148 0.396651 P\n0.901324 0.012992 0.357723 O\n0.098623 0.987021 0.857706 O\n0.565393 0.983412 0.158106 O\n0.434610 0.016599 0.658110 O\n0.963906 0.147373 0.628390 O\n0.036106 0.852653 0.128404 O\n0.984926 0.191193 0.139511 O\n0.015084 0.808818 0.639480 O\n0.484339 0.309748 0.958914 O\n0.515667 0.690234 0.458914 O\n0.602271 0.519737 0.236890 O\n0.397706 0.480265 0.736919 O\n0.063930 0.516137 0.936638 O\n0.936078 0.483864 0.436589 O\n0.466103 0.351471 0.462704 O\n0.533941 0.648527 0.962733 O\n","nsites":28,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":3.071987018764303,"density_atomic":0.08051174688275166,"volume":347.77533818482516,"volume_molar":7.479828712162929,"formula_full":"Li4 Co4 P4 O16","formula_reduced":"LiCoPO4","formula_anonymous":"ABCD4","energy":-203.54234557,"energy_per_atom":-7.269369484642858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.99834557,"band_gap":3.1251999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.99e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.623000Z","spacegroup":19},{"id":"mp-1185821","created_at":"2022-09-04T14:44:12.751276Z","structure_string":"Mg16 Ni8 H32\n1.0\n6.368240 0.000000 0.000000\n0.000000 6.455967 0.000000\n0.000000 0.000000 13.102415\nMg Ni H\n16 8 32\ndirect\n0.761417 0.567319 0.513528 Mg\n0.738583 0.567319 0.986472 Mg\n0.750000 0.556359 0.750000 Mg\n0.250000 0.530071 0.750000 Mg\n0.750000 0.469929 0.250000 Mg\n0.250000 0.443641 0.250000 Mg\n0.238583 0.432681 0.486472 Mg\n0.261417 0.432681 0.013528 Mg\n0.761417 0.067319 0.986472 Mg\n0.738583 0.067319 0.513528 Mg\n0.750000 0.056359 0.750000 Mg\n0.250000 0.030071 0.750000 Mg\n0.750000 0.969929 0.250000 Mg\n0.250000 0.943641 0.250000 Mg\n0.238583 0.932681 0.013528 Mg\n0.261417 0.932681 0.486472 Mg\n0.017095 0.695078 0.368882 Ni\n0.482905 0.695078 0.131118 Ni\n0.982905 0.304922 0.631118 Ni\n0.517095 0.304922 0.868882 Ni\n0.017095 0.195078 0.131118 Ni\n0.482905 0.195078 0.368882 Ni\n0.982905 0.804922 0.868882 Ni\n0.517095 0.804922 0.631118 Ni\n0.032285 0.762644 0.754829 H\n0.467715 0.762644 0.745171 H\n0.967715 0.737356 0.254829 H\n0.532285 0.737356 0.245171 H\n0.238383 0.684341 0.126365 H\n0.261617 0.684341 0.373635 H\n0.055450 0.662061 0.959483 H\n0.444550 0.662061 0.540517 H\n0.064595 0.529039 0.610076 H\n0.435405 0.529039 0.889924 H\n0.935405 0.470961 0.389924 H\n0.564595 0.470961 0.110076 H\n0.944550 0.337939 0.040517 H\n0.555450 0.337939 0.459483 H\n0.761617 0.315659 0.873635 H\n0.738383 0.315659 0.626365 H\n0.032285 0.262644 0.745171 H\n0.467715 0.262644 0.754829 H\n0.967715 0.237356 0.245171 H\n0.532285 0.237356 0.254829 H\n0.238383 0.184341 0.373635 H\n0.261617 0.184341 0.126365 H\n0.055450 0.162061 0.540517 H\n0.444550 0.162061 0.959483 H\n0.064595 0.029039 0.889924 H\n0.435405 0.029039 0.610076 H\n0.935405 0.970961 0.110076 H\n0.564595 0.970961 0.389924 H\n0.944550 0.837939 0.459483 H\n0.555450 0.837939 0.040517 H\n0.761617 0.815659 0.626365 H\n0.738383 0.815659 0.873635 H\n","nsites":56,"nelements":3,"elements":["Mg","Ni","H"],"chemical_system":"H-Mg-Ni","density":2.7456131548318234,"density_atomic":0.1039575299270528,"volume":538.6815177245487,"volume_molar":5.792885579549406,"formula_full":"Mg16 Ni8 H32","formula_reduced":"Mg2NiH4","formula_anonymous":"AB2C4","energy":-199.31289767,"energy_per_atom":-3.559158886964286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.58489767,"band_gap":1.5088000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002847,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.781000Z","spacegroup":56},{"id":"mp-1208204","created_at":"2022-09-04T14:44:12.752637Z","structure_string":"Ti10 Si2 Sb4\n1.0\n0.000000 0.000000 5.105213\n-5.226761 5.226761 2.552606\n-5.226761 -5.226761 2.552606\nTi Si Sb\n10 2 4\ndirect\n0.250000 0.500000 0.500000 Ti\n0.750000 0.500000 0.500000 Ti\n0.072509 0.135876 0.719107 Ti\n0.927491 0.864124 0.280893 Ti\n0.791616 0.280893 0.135876 Ti\n0.427491 0.280893 0.864124 Ti\n0.208384 0.719107 0.864124 Ti\n0.572509 0.719107 0.135876 Ti\n0.708384 0.864124 0.719107 Ti\n0.291616 0.135876 0.280893 Ti\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n0.164295 0.500000 0.171409 Sb\n0.835705 0.500000 0.828591 Sb\n0.335705 0.828591 0.500000 Sb\n0.664295 0.171409 0.500000 Sb\n","nsites":16,"nelements":3,"elements":["Ti","Si","Sb"],"chemical_system":"Sb-Si-Ti","density":6.083314588226179,"density_atomic":0.05736022374475246,"volume":278.93893983396015,"volume_molar":10.498809744532993,"formula_full":"Ti10 Si2 Sb4","formula_reduced":"Ti5SiSb2","formula_anonymous":"AB2C5","energy":-117.18170193,"energy_per_atom":-7.323856370625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.55570193,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0273848,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.636000Z","spacegroup":140}]}