{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=81","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=79","results":[{"id":"mp-1212883","created_at":"2022-09-04T14:39:47.353321Z","structure_string":"Er12 Co5 Bi1\n1.0\n-4.666557 4.669628 4.903212\n4.666557 -4.669628 4.903212\n4.666557 4.669628 -4.903212\nEr Co Bi\n12 5 1\ndirect\n0.284193 0.182352 0.466545 Er\n0.715807 0.817648 0.533455 Er\n0.284193 0.817648 0.101841 Er\n0.715807 0.182352 0.898159 Er\n0.619359 0.311730 0.307629 Er\n0.380641 0.688270 0.692371 Er\n0.004102 0.311730 0.692371 Er\n0.995898 0.688270 0.307629 Er\n0.211522 0.408524 0.197002 Er\n0.788478 0.591476 0.802998 Er\n0.211522 0.014520 0.802998 Er\n0.788478 0.985480 0.197002 Er\n0.000000 0.375563 0.375563 Co\n0.000000 0.624437 0.624437 Co\n0.387984 0.887984 0.500000 Co\n0.612016 0.112016 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Bi\n","nsites":18,"nelements":3,"elements":["Er","Co","Bi"],"chemical_system":"Bi-Co-Er","density":9.755146675262523,"density_atomic":0.04211656888170172,"volume":427.3852423866469,"volume_molar":14.29874493555059,"formula_full":"Er12 Co5 Bi1","formula_reduced":"Er12Co5Bi","formula_anonymous":"AB5C12","energy":-99.72910189,"energy_per_atom":-5.540505660555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.72910189,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000594,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.812000Z","spacegroup":71},{"id":"mp-603612","created_at":"2022-09-04T14:39:48.779161Z","structure_string":"Ti2 P8 H16 N4 O26\n1.0\n5.158909 0.000000 0.000000\n1.230943 7.952235 0.000000\n1.830044 1.382537 14.988519\nTi P H N O\n2 8 16 4 26\ndirect\n0.961015 0.055817 0.760691 Ti\n0.038985 0.944183 0.239309 Ti\n0.537243 0.899089 0.657477 P\n0.177591 0.329304 0.211265 P\n0.822409 0.670696 0.788735 P\n0.615044 0.778266 0.142830 P\n0.811617 0.590810 0.309072 P\n0.384956 0.221734 0.857170 P\n0.188383 0.409190 0.690928 P\n0.462757 0.100911 0.342523 P\n0.264021 0.654023 0.033237 H\n0.585651 0.288770 0.066868 H\n0.745927 0.457372 0.052884 H\n0.735979 0.345977 0.966763 H\n0.030779 0.684062 0.530604 H\n0.185253 0.717471 0.425798 H\n0.254073 0.542628 0.947116 H\n0.921545 0.261170 0.049057 H\n0.351374 0.723194 0.514972 H\n0.814747 0.282529 0.574202 H\n0.969221 0.315938 0.469396 H\n0.096714 0.872012 0.492361 H\n0.414349 0.711230 0.933132 H\n0.648626 0.276806 0.485028 H\n0.903286 0.127988 0.507639 H\n0.078455 0.738830 0.950943 H\n0.251256 0.664159 0.965602 N\n0.168044 0.746549 0.491012 N\n0.748744 0.335841 0.034398 N\n0.831956 0.253451 0.508988 N\n0.985228 0.284089 0.701048 O\n0.759229 0.034225 0.332246 O\n0.639603 0.631815 0.226666 O\n0.361999 0.169453 0.429867 O\n0.243389 0.454286 0.136312 O\n0.432604 0.252914 0.260370 O\n0.024096 0.592918 0.708713 O\n0.057523 0.178217 0.186915 O\n0.708075 0.695850 0.058622 O\n0.014772 0.715911 0.298952 O\n0.942477 0.821783 0.813085 O\n0.567396 0.747086 0.739630 O\n0.781638 0.913289 0.162284 O\n0.756611 0.545714 0.863688 O\n0.698258 0.032048 0.683411 O\n0.360397 0.368185 0.773334 O\n0.321059 0.854834 0.149731 O\n0.291925 0.304150 0.941378 O\n0.678941 0.145166 0.850269 O\n0.301742 0.967952 0.316589 O\n0.638001 0.830547 0.570133 O\n0.652669 0.571587 0.396128 O\n0.975904 0.407082 0.291287 O\n0.240771 0.965775 0.667754 O\n0.347331 0.428413 0.603872 O\n0.218362 0.086711 0.837716 O\n","nsites":56,"nelements":5,"elements":["Ti","P","H","N","O"],"chemical_system":"H-N-O-P-Ti","density":2.245899588628985,"density_atomic":0.09107144582444275,"volume":614.901844294319,"volume_molar":6.612545464149986,"formula_full":"Ti2 P8 H16 N4 O26","formula_reduced":"TiP4H8N2O13","formula_anonymous":"AB2C4D8E13","energy":-387.69463645,"energy_per_atom":-6.9231185080357145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.38863645,"band_gap":2.6344,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000336,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.067000Z","spacegroup":2},{"id":"mp-1193899","created_at":"2022-09-04T14:39:46.677029Z","structure_string":"Ta8 Fe8 Si14\n1.0\n-6.280212 6.280212 2.503400\n6.280212 -6.280212 2.503400\n6.280212 6.280212 -2.503400\nTa Fe Si\n8 8 14\ndirect\n0.135262 0.135262 0.270524 Ta\n0.864738 0.864738 0.729476 Ta\n0.864738 0.135262 0.000000 Ta\n0.135262 0.864738 0.000000 Ta\n0.500000 0.692270 0.192270 Ta\n0.500000 0.307730 0.807730 Ta\n0.307730 0.500000 0.807730 Ta\n0.692270 0.500000 0.192270 Ta\n0.399942 0.899942 0.799885 Fe\n0.100058 0.600058 0.200115 Fe\n0.100058 0.899942 0.500000 Fe\n0.399942 0.600058 0.500000 Fe\n0.600058 0.399942 0.500000 Fe\n0.899942 0.100058 0.500000 Fe\n0.899942 0.399942 0.799885 Fe\n0.600058 0.100058 0.200115 Fe\n0.290982 0.290982 0.581964 Si\n0.709018 0.709018 0.418036 Si\n0.709018 0.290982 0.000000 Si\n0.290982 0.709018 0.000000 Si\n0.000000 0.297762 0.297762 Si\n0.000000 0.702238 0.702238 Si\n0.702238 0.000000 0.702238 Si\n0.297762 0.000000 0.297762 Si\n0.500000 0.906093 0.406093 Si\n0.500000 0.093907 0.593907 Si\n0.093907 0.500000 0.593907 Si\n0.906093 0.500000 0.406093 Si\n0.750727 0.750727 0.000000 Si\n0.249273 0.249273 0.000000 Si\n","nsites":30,"nelements":3,"elements":["Ta","Fe","Si"],"chemical_system":"Fe-Si-Ta","density":9.617871136572806,"density_atomic":0.07595955411036032,"volume":394.94702610304324,"volume_molar":7.928088613119735,"formula_full":"Ta8 Fe8 Si14","formula_reduced":"Ta4Fe4Si7","formula_anonymous":"A4B4C7","energy":-254.55212785000003,"energy_per_atom":-8.485070928333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.54612785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0368941,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.382000Z","spacegroup":139},{"id":"mp-1079999","created_at":"2022-09-04T14:39:48.790373Z","structure_string":"Zr4 Ni2 P4\n1.0\n1.888279 -3.270596 0.000000\n1.888279 3.270596 0.000000\n0.000000 0.000000 13.128891\nZr Ni P\n4 2 4\ndirect\n0.333333 0.666667 0.390392 Zr\n0.666667 0.333333 0.609608 Zr\n0.666667 0.333333 0.890392 Zr\n0.333333 0.666667 0.109608 Zr\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n","nsites":10,"nelements":3,"elements":["Zr","Ni","P"],"chemical_system":"Ni-P-Zr","density":6.20723312020359,"density_atomic":0.061666442804287416,"volume":162.16275084550102,"volume_molar":9.765669116204162,"formula_full":"Zr4 Ni2 P4","formula_reduced":"Zr2NiP2","formula_anonymous":"AB2C2","energy":-80.24920674,"energy_per_atom":-8.024920674,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.24920674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001891,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.615000Z","spacegroup":194},{"id":"mp-7961","created_at":"2022-09-04T14:39:48.792241Z","structure_string":"Sr3 Sn1 O1\n1.0\n5.182565 0.000000 0.000000\n0.000000 5.182565 0.000000\n0.000000 0.000000 5.182565\nSr Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Sn","O"],"chemical_system":"O-Sn-Sr","density":4.74272315607257,"density_atomic":0.035919950631827624,"volume":139.19840957603225,"volume_molar":16.765448320699964,"formula_full":"Sr3 Sn1 O1","formula_reduced":"Sr3SnO","formula_anonymous":"ABC3","energy":-22.24749244,"energy_per_atom":-4.449498488,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.56049244,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005585,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.133000Z","spacegroup":221},{"id":"mp-1047058","created_at":"2022-09-04T14:39:47.357104Z","structure_string":"Ca4 Sb4 As4 O20\n1.0\n7.358961 0.000000 0.000000\n0.000000 7.856700 0.000000\n0.000000 0.000000 8.597663\nCa Sb As O\n4 4 4 20\ndirect\n0.008625 0.642333 0.606400 Ca\n0.491375 0.357667 0.106400 Ca\n0.991375 0.142333 0.893600 Ca\n0.508625 0.857667 0.393600 Ca\n0.210619 0.742314 0.955277 Sb\n0.289381 0.257686 0.455277 Sb\n0.789381 0.242314 0.544723 Sb\n0.710619 0.757686 0.044723 Sb\n0.457974 0.082693 0.797836 As\n0.042026 0.917307 0.297836 As\n0.542026 0.582693 0.702164 As\n0.957974 0.417307 0.202164 As\n0.437425 0.894210 0.904577 O\n0.062575 0.105790 0.404577 O\n0.562575 0.394210 0.595423 O\n0.937425 0.605790 0.095423 O\n0.329375 0.229017 0.895152 O\n0.170625 0.770983 0.395152 O\n0.670625 0.729017 0.604848 O\n0.829375 0.270983 0.104848 O\n0.686249 0.123973 0.793721 O\n0.813751 0.876027 0.293721 O\n0.313751 0.623973 0.706279 O\n0.186249 0.376027 0.206279 O\n0.374957 0.049128 0.611405 O\n0.125043 0.950872 0.111405 O\n0.625043 0.549128 0.888595 O\n0.874957 0.450872 0.388595 O\n0.037538 0.846459 0.814007 O\n0.462462 0.153541 0.314007 O\n0.962462 0.346459 0.685993 O\n0.537538 0.653541 0.185993 O\n","nsites":32,"nelements":4,"elements":["Ca","Sb","As","O"],"chemical_system":"As-Ca-O-Sb","density":4.232506868823157,"density_atomic":0.0643743546698715,"volume":497.0923617658671,"volume_molar":9.354875541484043,"formula_full":"Ca4 Sb4 As4 O20","formula_reduced":"CaSbAsO5","formula_anonymous":"ABCD5","energy":-212.57420276,"energy_per_atom":-6.64294383625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.83420276,"band_gap":3.1,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.82e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.459000Z","spacegroup":19},{"id":"mp-1226728","created_at":"2022-09-04T14:39:48.697126Z","structure_string":"Cd1 Ag1\n1.0\n1.492869 -2.743508 0.000000\n1.492869 2.743508 0.000000\n0.000000 0.000000 4.805695\nCd Ag\n1 1\ndirect\n0.335173 0.664827 0.500000 Cd\n0.664827 0.335173 0.000000 Ag\n","nsites":2,"nelements":2,"elements":["Cd","Ag"],"chemical_system":"Ag-Cd","density":9.291984086355251,"density_atomic":0.05080610073674599,"volume":39.36535122746551,"volume_molar":11.853184307931805,"formula_full":"Cd1 Ag1","formula_reduced":"CdAg","formula_anonymous":"AB","energy":-3.84283243,"energy_per_atom":-1.921416215,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.84283243,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009526,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.945000Z","spacegroup":38},{"id":"mp-14635","created_at":"2022-09-04T14:39:46.370142Z","structure_string":"Rb4 V2 Ag2 Se8\n1.0\n0.000000 7.075793 12.268814\n3.025750 0.000000 12.268814\n3.025750 7.075793 0.000000\nRb V Ag Se\n4 2 2 8\ndirect\n0.680914 0.680914 0.319086 Rb\n0.319086 0.319086 0.680914 Rb\n0.930914 0.930914 0.569086 Rb\n0.569086 0.569086 0.930914 Rb\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Ag\n0.553363 0.334382 0.250368 Se\n0.861887 0.250368 0.334382 Se\n0.999632 0.388113 0.696637 Se\n0.915618 0.696637 0.388113 Se\n0.250368 0.861887 0.553363 Se\n0.334382 0.553363 0.861887 Se\n0.388113 0.999632 0.915618 Se\n0.696637 0.915618 0.999632 Se\n","nsites":16,"nelements":4,"elements":["Rb","V","Ag","Se"],"chemical_system":"Ag-Rb-Se-V","density":4.081238611206736,"density_atomic":0.030456447382339644,"volume":525.3403261103164,"volume_molar":19.772958692128928,"formula_full":"Rb4 V2 Ag2 Se8","formula_reduced":"Rb2VAgSe4","formula_anonymous":"ABC2D4","energy":-73.39221438999999,"energy_per_atom":-4.5870133993749995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.61621439,"band_gap":1.0307,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005711,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.707000Z","spacegroup":70},{"id":"mp-1102554","created_at":"2022-09-04T14:39:48.716628Z","structure_string":"Cu4 Cl4 O4\n1.0\n6.246369 0.000000 0.000000\n0.000000 6.267229 0.000000\n-2.203614 0.000000 4.918629\nCu Cl O\n4 4 4\ndirect\n0.969004 0.383022 0.217705 Cu\n0.030996 0.883022 0.282295 Cu\n0.030996 0.616978 0.782295 Cu\n0.969004 0.116978 0.717705 Cu\n0.685501 0.078871 0.857251 Cl\n0.314499 0.578871 0.642749 Cl\n0.314499 0.921129 0.142749 Cl\n0.685501 0.421129 0.357251 Cl\n0.108524 0.148451 0.457962 O\n0.891476 0.648451 0.042038 O\n0.891476 0.851549 0.542038 O\n0.108524 0.351549 0.957962 O\n","nsites":12,"nelements":3,"elements":["Cu","Cl","O"],"chemical_system":"Cl-Cu-O","density":3.9669216292507503,"density_atomic":0.06232093779607075,"volume":192.55165959259014,"volume_molar":9.663109980318184,"formula_full":"Cu4 Cl4 O4","formula_reduced":"CuClO","formula_anonymous":"ABC","energy":-52.67105094,"energy_per_atom":-4.389254245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.46705094,"band_gap":0.2174,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0088145,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.623000Z","spacegroup":14},{"id":"mp-1048412","created_at":"2022-09-04T14:39:48.747056Z","structure_string":"Mg4 Sn4 O8\n1.0\n3.327407 0.000000 0.000000\n0.964503 8.477854 0.000000\n0.266077 0.284205 9.440684\nMg Sn O\n4 4 8\ndirect\n0.725955 0.317563 0.584191 Mg\n0.274045 0.682437 0.415809 Mg\n0.208540 0.339379 0.270375 Mg\n0.791460 0.660621 0.729625 Mg\n0.208332 0.974989 0.669003 Sn\n0.403016 0.314596 0.898701 Sn\n0.596984 0.685404 0.101299 Sn\n0.791668 0.025011 0.330997 Sn\n0.386958 0.870519 0.243837 O\n0.254886 0.769493 0.795051 O\n0.745114 0.230507 0.204949 O\n0.613042 0.129481 0.756163 O\n0.764883 0.686220 0.521784 O\n0.837110 0.426045 0.769730 O\n0.235117 0.313780 0.478216 O\n0.162890 0.573955 0.230270 O\n","nsites":16,"nelements":3,"elements":["Mg","Sn","O"],"chemical_system":"Mg-O-Sn","density":4.365018243417945,"density_atomic":0.06007927212806065,"volume":266.3148109700056,"volume_molar":10.023657988338538,"formula_full":"Mg4 Sn4 O8","formula_reduced":"MgSnO2","formula_anonymous":"ABC2","energy":-95.5929296,"energy_per_atom":-5.9745581,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.0969296,"band_gap":1.1683000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.21e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.053000Z","spacegroup":2},{"id":"mp-1077729","created_at":"2022-09-04T14:39:47.394418Z","structure_string":"Yb1 Al1 B4\n1.0\n3.137330 0.000000 0.000000\n0.000000 3.599322 0.000000\n0.000000 0.000000 5.386142\nYb Al B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.182567 B\n0.500000 0.500000 0.817433 B\n0.000000 0.500000 0.341374 B\n0.000000 0.500000 0.658626 B\n","nsites":6,"nelements":3,"elements":["Yb","Al","B"],"chemical_system":"Al-B-Yb","density":6.6415735373153835,"density_atomic":0.09864896841601291,"volume":60.82172065598678,"volume_molar":6.104616050929199,"formula_full":"Yb1 Al1 B4","formula_reduced":"YbAlB4","formula_anonymous":"ABC4","energy":-33.01071281,"energy_per_atom":-5.501785468333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.01071281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002887,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.591000Z","spacegroup":47},{"id":"mp-1178248","created_at":"2022-09-04T14:39:58.684363Z","structure_string":"Hf16 Zr16 O64\n1.0\n10.229601 0.000000 0.000000\n0.000000 10.229601 0.000000\n0.000000 0.000000 10.229601\nHf Zr O\n16 16 64\ndirect\n0.123811 0.374379 0.373873 Hf\n0.126127 0.876189 0.874379 Hf\n0.125621 0.626127 0.623811 Hf\n0.124583 0.124583 0.124583 Hf\n0.375417 0.875417 0.624583 Hf\n0.374379 0.373873 0.123811 Hf\n0.373873 0.123811 0.374379 Hf\n0.376189 0.625621 0.873873 Hf\n0.623811 0.125621 0.626127 Hf\n0.626127 0.623811 0.125621 Hf\n0.625621 0.873873 0.376189 Hf\n0.624583 0.375417 0.875417 Hf\n0.875417 0.624583 0.375417 Hf\n0.874379 0.126127 0.876189 Hf\n0.873873 0.376189 0.625621 Hf\n0.876189 0.874379 0.126127 Hf\n0.126102 0.625226 0.123560 Zr\n0.123560 0.126102 0.625226 Zr\n0.125126 0.874874 0.374874 Zr\n0.125226 0.376440 0.873898 Zr\n0.374774 0.623560 0.373898 Zr\n0.374874 0.125126 0.874874 Zr\n0.376440 0.873898 0.125226 Zr\n0.373898 0.374774 0.623560 Zr\n0.626102 0.874774 0.876440 Zr\n0.623560 0.373898 0.374774 Zr\n0.625126 0.625126 0.625126 Zr\n0.625226 0.123560 0.126102 Zr\n0.874774 0.876440 0.626102 Zr\n0.874874 0.374874 0.125126 Zr\n0.876440 0.626102 0.874774 Zr\n0.873898 0.125226 0.376440 Zr\n0.996473 0.744933 0.249369 O\n0.000260 0.995642 0.250488 O\n0.001466 0.755061 0.999370 O\n0.997694 0.002306 0.502306 O\n0.002374 0.002374 0.002374 O\n0.999370 0.001466 0.755061 O\n0.004358 0.750488 0.499740 O\n0.998733 0.251341 0.750657 O\n0.248659 0.249343 0.498733 O\n0.249343 0.498733 0.248659 O\n0.251231 0.248769 0.751231 O\n0.249369 0.996473 0.744933 O\n0.249512 0.999740 0.495642 O\n0.255061 0.500630 0.998534 O\n0.255067 0.749369 0.503527 O\n0.248516 0.748516 0.751484 O\n0.251484 0.251484 0.251484 O\n0.244933 0.250631 0.003527 O\n0.244939 0.499370 0.498534 O\n0.250488 0.000260 0.995642 O\n0.250631 0.003527 0.244933 O\n0.248769 0.751231 0.251231 O\n0.250657 0.501267 0.748659 O\n0.251341 0.750657 0.998733 O\n0.501267 0.748659 0.250657 O\n0.497626 0.997626 0.502374 O\n0.502306 0.997694 0.002306 O\n0.500630 0.998534 0.255061 O\n0.495642 0.249512 0.999740 O\n0.498534 0.244939 0.499370 O\n0.503527 0.255067 0.749369 O\n0.499740 0.004358 0.750488 O\n0.500260 0.504358 0.749512 O\n0.496473 0.755067 0.750631 O\n0.501466 0.744939 0.000630 O\n0.499370 0.498534 0.244939 O\n0.497694 0.497694 0.497694 O\n0.502374 0.497626 0.997626 O\n0.504358 0.749512 0.500260 O\n0.498733 0.248659 0.249343 O\n0.748659 0.250657 0.501267 O\n0.749343 0.001267 0.751341 O\n0.751231 0.251231 0.248769 O\n0.749369 0.503527 0.255067 O\n0.749512 0.500260 0.504358 O\n0.755061 0.999370 0.001466 O\n0.755067 0.750631 0.496473 O\n0.748516 0.751484 0.248516 O\n0.751484 0.248516 0.748516 O\n0.744933 0.249369 0.996473 O\n0.744939 0.000630 0.501466 O\n0.750488 0.499740 0.004358 O\n0.750631 0.496473 0.755067 O\n0.748769 0.748769 0.748769 O\n0.750657 0.998733 0.251341 O\n0.751341 0.749343 0.001267 O\n0.001267 0.751341 0.749343 O\n0.995642 0.250488 0.000260 O\n0.002306 0.502306 0.997694 O\n0.000630 0.501466 0.744939 O\n0.997626 0.502374 0.497626 O\n0.998534 0.255061 0.500630 O\n0.003527 0.244933 0.250631 O\n0.999740 0.495642 0.249512 O\n","nsites":96,"nelements":3,"elements":["Hf","Zr","O"],"chemical_system":"Hf-O-Zr","density":8.282554447013844,"density_atomic":0.08967990699068,"volume":1070.4739023645154,"volume_molar":6.71515054161001,"formula_full":"Hf16 Zr16 O64","formula_reduced":"HfZrO4","formula_anonymous":"ABC4","energy":-981.04214,"energy_per_atom":-10.219188958333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-937.07414,"band_gap":3.2854,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002772,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.273000Z","spacegroup":198}]}