{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=35","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=33","results":[{"id":"mp-755951","created_at":"2022-09-04T14:42:41.009436Z","structure_string":"V4 S4 O16\n1.0\n0.000004 0.000001 4.905378\n8.923805 0.000224 0.000007\n0.000177 6.852219 0.000002\nV S O\n4 4 16\ndirect\n0.999990 0.000049 0.500076 V\n0.500137 0.500183 0.500027 V\n0.999962 0.000048 0.999868 V\n0.499808 0.499743 0.999982 V\n0.487456 0.176743 0.249909 S\n0.987474 0.323268 0.750076 S\n0.012545 0.676760 0.249863 S\n0.512526 0.823252 0.750126 S\n0.778794 0.121566 0.249890 O\n0.278841 0.378411 0.750070 O\n0.721244 0.621539 0.249890 O\n0.221198 0.878435 0.750075 O\n0.980767 0.153524 0.750011 O\n0.480759 0.346504 0.250026 O\n0.519186 0.653495 0.750150 O\n0.019184 0.846532 0.249889 O\n0.353458 0.126070 0.070112 O\n0.353438 0.125994 0.429728 O\n0.853521 0.373898 0.929909 O\n0.853373 0.374011 0.570285 O\n0.146623 0.625988 0.070156 O\n0.146545 0.626003 0.429689 O\n0.646610 0.874003 0.570327 O\n0.646558 0.873980 0.929866 O\n","nsites":24,"nelements":3,"elements":["V","S","O"],"chemical_system":"O-S-V","density":3.2552530255030394,"density_atomic":0.08001242932314033,"volume":299.95339727872727,"volume_molar":7.526506582719569,"formula_full":"V4 S4 O16","formula_reduced":"VSO4","formula_anonymous":"ABC4","energy":-181.41643721,"energy_per_atom":-7.5590182170833335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.62443721,"band_gap":3.1105,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.738000Z","spacegroup":62},{"id":"mp-1016108","created_at":"2022-09-04T14:42:41.126545Z","structure_string":"Ti4 Zn4 N8\n1.0\n5.248098 0.000000 0.000000\n0.000000 5.700140 0.000000\n0.000000 0.000000 6.581898\nTi Zn N\n4 4 8\ndirect\n0.996200 0.083025 0.374264 Ti\n0.496200 0.916975 0.625736 Ti\n0.496200 0.416975 0.874264 Ti\n0.996200 0.583025 0.125736 Ti\n0.997094 0.087260 0.876121 Zn\n0.497094 0.912740 0.123879 Zn\n0.497094 0.412740 0.376121 Zn\n0.997094 0.587260 0.623879 Zn\n0.365157 0.069881 0.385988 N\n0.865157 0.930119 0.614012 N\n0.865157 0.430119 0.885988 N\n0.365157 0.569881 0.114012 N\n0.391550 0.090338 0.864318 N\n0.891550 0.909662 0.135682 N\n0.891550 0.409662 0.364318 N\n0.391550 0.590338 0.635682 N\n","nsites":16,"nelements":3,"elements":["Ti","Zn","N"],"chemical_system":"N-Ti-Zn","density":4.766285613075758,"density_atomic":0.08126085289972027,"volume":196.896776603425,"volume_molar":7.410875649350626,"formula_full":"Ti4 Zn4 N8","formula_reduced":"TiZnN2","formula_anonymous":"ABC2","energy":-119.77517514,"energy_per_atom":-7.48594844625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.88717514,"band_gap":2.1329,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002635,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.464000Z","spacegroup":33},{"id":"mp-1190971","created_at":"2022-09-04T14:42:41.339655Z","structure_string":"Pr2 P4 H4 C2 O12\n1.0\n-0.023350 0.000000 -5.393846\n7.895835 0.000000 2.356969\n-3.936242 -7.168842 1.518438\nPr P H C O\n2 4 4 2 12\ndirect\n0.271264 0.771264 0.542527 Pr\n0.728736 0.228736 0.457473 Pr\n0.240797 0.366548 0.222285 P\n0.018512 0.144263 0.777715 P\n0.759203 0.633452 0.777715 P\n0.981488 0.855737 0.222285 P\n0.840485 0.314567 0.000000 H\n0.159515 0.685433 0.000000 H\n0.832069 0.096965 0.000000 H\n0.167931 0.903035 0.000000 H\n0.961979 0.227783 0.000000 C\n0.038021 0.772217 0.000000 C\n0.900379 0.604989 0.626611 O\n0.273768 0.978378 0.373389 O\n0.099621 0.395011 0.373389 O\n0.726232 0.021622 0.626611 O\n0.386163 0.578671 0.260780 O\n0.125384 0.317892 0.739220 O\n0.613837 0.421329 0.739220 O\n0.874616 0.682108 0.260780 O\n0.568757 0.735649 0.766999 O\n0.801758 0.968650 0.233001 O\n0.431243 0.264351 0.233001 O\n0.198242 0.031350 0.766999 O\n","nsites":24,"nelements":5,"elements":["Pr","P","H","C","O"],"chemical_system":"C-H-O-P-Pr","density":3.407770153470342,"density_atomic":0.07870950893816842,"volume":304.9186854774257,"volume_molar":7.651096851246773,"formula_full":"Pr2 P4 H4 C2 O12","formula_reduced":"PrP2H2CO6","formula_anonymous":"ABC2D2E6","energy":-174.12151656,"energy_per_atom":-7.25506319,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.87751656,"band_gap":0.0201999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9991864,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.086000Z","spacegroup":12},{"id":"mp-1105117","created_at":"2022-09-04T14:42:41.374289Z","structure_string":"Ni6 Sb8 O12 F12\n1.0\n-0.000004 -8.203975 -0.000010\n0.000003 -0.000010 -8.203995\n8.203982 0.000004 -0.000003\nNi Sb O F\n6 8 12 12\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000001 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.161922 0.161921 0.838078 Sb\n0.661919 0.661919 0.338081 Sb\n0.338081 0.338081 0.338081 Sb\n0.838079 0.838079 0.838079 Sb\n0.661919 0.338081 0.661919 Sb\n0.161921 0.838079 0.161921 Sb\n0.338081 0.661919 0.661919 Sb\n0.838078 0.161922 0.161922 Sb\n0.000000 0.251972 0.000000 O\n0.500000 0.751945 0.500000 O\n0.748028 0.000000 0.000000 O\n0.248055 0.500000 0.500000 O\n0.000000 0.000000 0.251972 O\n0.500000 0.500000 0.751945 O\n0.000000 0.748028 0.000000 O\n0.500000 0.248055 0.500000 O\n0.251972 0.000000 0.000000 O\n0.751945 0.500000 0.500000 O\n0.000000 0.000000 0.748028 O\n0.500000 0.500000 0.248055 O\n0.000000 0.500000 0.750019 F\n0.500000 0.000000 0.249981 F\n0.000000 0.249981 0.500000 F\n0.500000 0.750019 0.000000 F\n0.249981 0.000000 0.500000 F\n0.750019 0.500000 0.000000 F\n0.500000 0.000000 0.750019 F\n0.000000 0.500000 0.249981 F\n0.249980 0.500000 0.000000 F\n0.750019 0.000000 0.500000 F\n0.500000 0.249981 0.000000 F\n0.000000 0.750019 0.500000 F\n","nsites":38,"nelements":4,"elements":["Ni","Sb","O","F"],"chemical_system":"F-Ni-O-Sb","density":5.251364436454324,"density_atomic":0.06881913070719936,"volume":552.1720429988621,"volume_molar":8.750678333357685,"formula_full":"Ni6 Sb8 O12 F12","formula_reduced":"Ni3Sb4(OF)6","formula_anonymous":"A3B4C6D6","energy":-227.30798427,"energy_per_atom":-5.981789059736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.27398427,"band_gap":3.04,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.486000Z","spacegroup":217},{"id":"mp-776473","created_at":"2022-09-04T14:42:39.695952Z","structure_string":"V4 O4 F12\n1.0\n5.462810 0.000000 0.000000\n-2.624262 4.864973 0.000000\n-0.318894 -0.551493 10.873944\nV O F\n4 4 12\ndirect\n0.957269 0.940776 0.026227 V\n0.976389 0.957035 0.520992 V\n0.460378 0.475566 0.777849 V\n0.523741 0.543824 0.272483 V\n0.774188 0.695570 0.595178 O\n0.751495 0.683704 0.108852 O\n0.747716 0.817638 0.358855 O\n0.259437 0.331698 0.887710 O\n0.171804 0.830236 0.950340 F\n0.218249 0.872097 0.452150 F\n0.227800 0.150072 0.140517 F\n0.254437 0.175521 0.647984 F\n0.323780 0.668303 0.701931 F\n0.304875 0.649813 0.194565 F\n0.708076 0.354443 0.782496 F\n0.680968 0.329240 0.273800 F\n0.729743 0.808371 0.862770 F\n0.811050 0.165182 0.029726 F\n0.842070 0.191545 0.532351 F\n0.276534 0.359365 0.383225 F\n","nsites":20,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":2.848546583145828,"density_atomic":0.06920641831672195,"volume":288.990537098313,"volume_molar":8.701708463570213,"formula_full":"V4 O4 F12","formula_reduced":"VOF3","formula_anonymous":"ABC3","energy":-132.83337158,"energy_per_atom":-6.641668579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.74137158,"band_gap":2.5992,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.789000Z","spacegroup":1},{"id":"mp-754056","created_at":"2022-09-04T14:42:41.401757Z","structure_string":"Cr3 Sb1 P4 O16\n1.0\n4.898715 -0.045293 0.000006\n-0.089463 10.219201 -0.000080\n0.000008 -0.000042 5.883497\nCr Sb P O\n3 1 4 16\ndirect\n0.447446 0.224096 0.750168 Cr\n0.551597 0.781789 0.249974 Cr\n0.953495 0.264324 0.249948 Cr\n0.040645 0.724851 0.750009 Sb\n0.126769 0.592796 0.249996 P\n0.392511 0.090713 0.250025 P\n0.591485 0.923179 0.749999 P\n0.893178 0.390485 0.749987 P\n0.146356 0.444834 0.249991 O\n0.298376 0.661796 0.050103 O\n0.298347 0.661792 0.449926 O\n0.201847 0.373933 0.749952 O\n0.281981 0.901988 0.749959 O\n0.244461 0.165925 0.047184 O\n0.244484 0.165926 0.452918 O\n0.322276 0.944192 0.249976 O\n0.669565 0.067680 0.749985 O\n0.727524 0.851587 0.540867 O\n0.727500 0.851590 0.959118 O\n0.701823 0.112611 0.249991 O\n0.832902 0.640188 0.249978 O\n0.746457 0.315691 0.544000 O\n0.746532 0.315719 0.955971 O\n0.812440 0.532315 0.749977 O\n","nsites":24,"nelements":4,"elements":["Cr","Sb","P","O"],"chemical_system":"Cr-O-P-Sb","density":3.7079484900293194,"density_atomic":0.08149139357916059,"volume":294.50962789937375,"volume_molar":7.389910143271884,"formula_full":"Cr3 Sb1 P4 O16","formula_reduced":"Cr3Sb(PO4)4","formula_anonymous":"AB3C4D16","energy":-192.97819638000004,"energy_per_atom":-8.040758182500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.98919638,"band_gap":0.6692,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0020587,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.412000Z","spacegroup":6},{"id":"mp-1197093","created_at":"2022-09-04T14:42:40.825664Z","structure_string":"K8 Ga16 P16 O64 F2\n1.0\n13.491190 0.000000 0.000000\n0.000000 13.491190 0.000000\n0.000000 0.000000 8.831072\nK Ga P O F\n8 16 16 64 2\ndirect\n0.332762 0.745454 0.993623 K\n0.667238 0.254546 0.993623 K\n0.754546 0.832762 0.493623 K\n0.245454 0.167238 0.493623 K\n0.167238 0.754546 0.506377 K\n0.832762 0.245454 0.506377 K\n0.745454 0.667238 0.006377 K\n0.254546 0.332762 0.006377 K\n0.118705 0.567640 0.159644 Ga\n0.881295 0.432360 0.159644 Ga\n0.932360 0.618705 0.659644 Ga\n0.067640 0.381295 0.659644 Ga\n0.381295 0.932360 0.340356 Ga\n0.618705 0.067640 0.340356 Ga\n0.567640 0.881295 0.840356 Ga\n0.432360 0.118705 0.840356 Ga\n0.056991 0.135189 0.154567 Ga\n0.943009 0.864811 0.154567 Ga\n0.364811 0.556991 0.654567 Ga\n0.635189 0.443009 0.654567 Ga\n0.443009 0.364811 0.345433 Ga\n0.556991 0.635189 0.345433 Ga\n0.135189 0.943009 0.845433 Ga\n0.864811 0.056991 0.845433 Ga\n0.073380 0.355968 0.303309 P\n0.926620 0.644032 0.303309 P\n0.144032 0.573380 0.803309 P\n0.855968 0.426620 0.803309 P\n0.426620 0.144032 0.196691 P\n0.573380 0.855968 0.196691 P\n0.355968 0.926620 0.696691 P\n0.644032 0.073380 0.696691 P\n0.835173 0.068955 0.203297 P\n0.164827 0.931045 0.203297 P\n0.431045 0.335173 0.703297 P\n0.568955 0.664827 0.703297 P\n0.664827 0.431045 0.296703 P\n0.335173 0.568955 0.296703 P\n0.068955 0.164827 0.796703 P\n0.931045 0.835173 0.796703 P\n0.113170 0.426353 0.175958 O\n0.886830 0.573647 0.175958 O\n0.073647 0.613170 0.675958 O\n0.926353 0.386830 0.675958 O\n0.386830 0.073647 0.324042 O\n0.613170 0.926353 0.324042 O\n0.426353 0.886830 0.824042 O\n0.573647 0.113170 0.824042 O\n0.113595 0.393692 0.457940 O\n0.886405 0.606308 0.457940 O\n0.106308 0.613595 0.957940 O\n0.893692 0.386405 0.957940 O\n0.386405 0.106308 0.042060 O\n0.613595 0.893692 0.042060 O\n0.393692 0.886405 0.542060 O\n0.606308 0.113595 0.542060 O\n0.957221 0.359307 0.302863 O\n0.042779 0.640693 0.302863 O\n0.140693 0.457221 0.802863 O\n0.859307 0.542779 0.802863 O\n0.542779 0.140693 0.197137 O\n0.457221 0.859307 0.197137 O\n0.359307 0.042779 0.697137 O\n0.640693 0.957221 0.697137 O\n0.110380 0.249133 0.272582 O\n0.889620 0.750867 0.272582 O\n0.250867 0.610380 0.772582 O\n0.749133 0.389620 0.772582 O\n0.389620 0.250867 0.227418 O\n0.610380 0.749133 0.227418 O\n0.249133 0.889620 0.727418 O\n0.750867 0.110380 0.727418 O\n0.928935 0.129020 0.249216 O\n0.071065 0.870980 0.249216 O\n0.370980 0.428935 0.749216 O\n0.629020 0.571065 0.749216 O\n0.571065 0.370980 0.250784 O\n0.428935 0.629020 0.250784 O\n0.129020 0.071065 0.750784 O\n0.870980 0.928935 0.750784 O\n0.804490 0.090055 0.036293 O\n0.195510 0.909945 0.036293 O\n0.409945 0.304490 0.536293 O\n0.590055 0.695510 0.536293 O\n0.695510 0.409945 0.463707 O\n0.304490 0.590055 0.463707 O\n0.090055 0.195510 0.963707 O\n0.909945 0.804490 0.963707 O\n0.750435 0.110097 0.305940 O\n0.249565 0.889903 0.305940 O\n0.389903 0.250435 0.805940 O\n0.610097 0.749565 0.805940 O\n0.749565 0.389903 0.194060 O\n0.250435 0.610097 0.194060 O\n0.110097 0.249565 0.694060 O\n0.889903 0.750435 0.694060 O\n0.847979 0.956374 0.236368 O\n0.152021 0.043626 0.236368 O\n0.543626 0.347979 0.736368 O\n0.456374 0.652021 0.736368 O\n0.652021 0.543626 0.263632 O\n0.347979 0.456374 0.263632 O\n0.956374 0.152021 0.763632 O\n0.043626 0.847979 0.763632 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n","nsites":106,"nelements":5,"elements":["K","Ga","P","O","F"],"chemical_system":"F-Ga-K-O-P","density":3.084674867539351,"density_atomic":0.06594652602615671,"volume":1607.3629103367275,"volume_molar":9.131854432500974,"formula_full":"K8 Ga16 P16 O64 F2","formula_reduced":"K4Ga8P8O32F","formula_anonymous":"AB4C8D8E32","energy":-730.2093243300001,"energy_per_atom":-6.888767210660378,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-685.31732433,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0242912,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.429000Z","spacegroup":86},{"id":"mp-559713","created_at":"2022-09-04T14:42:40.028560Z","structure_string":"Fe12 P16 O56\n1.0\n9.081722 0.000000 0.000000\n0.000000 10.326351 0.000000\n0.000000 0.000000 12.396963\nFe P O\n12 16 56\ndirect\n0.749439 0.379033 0.511462 Fe\n0.246753 0.618683 0.250000 Fe\n0.250561 0.620967 0.011462 Fe\n0.746753 0.881317 0.250000 Fe\n0.750561 0.879033 0.011462 Fe\n0.750561 0.879033 0.488538 Fe\n0.753247 0.381317 0.750000 Fe\n0.749439 0.379033 0.988538 Fe\n0.250561 0.620967 0.488538 Fe\n0.253247 0.118683 0.750000 Fe\n0.249439 0.120967 0.511462 Fe\n0.249439 0.120967 0.988538 Fe\n0.427369 0.865086 0.627066 P\n0.086782 0.880401 0.132681 P\n0.572631 0.134914 0.127066 P\n0.586782 0.619599 0.367319 P\n0.927369 0.634914 0.627066 P\n0.072631 0.365086 0.372934 P\n0.427369 0.865086 0.872934 P\n0.413218 0.380401 0.867319 P\n0.913218 0.119599 0.867319 P\n0.072631 0.365086 0.127066 P\n0.586782 0.619599 0.132681 P\n0.572631 0.134914 0.372934 P\n0.913218 0.119599 0.632681 P\n0.086782 0.880401 0.367319 P\n0.413218 0.380401 0.632681 P\n0.927369 0.634914 0.872934 P\n0.341920 0.245113 0.626341 O\n0.082368 0.128692 0.631598 O\n0.369619 0.437120 0.750000 O\n0.921042 0.390861 0.079966 O\n0.347487 0.754466 0.572170 O\n0.421042 0.109139 0.079966 O\n0.421042 0.109139 0.420034 O\n0.578958 0.890861 0.579966 O\n0.334920 0.990381 0.631540 O\n0.847487 0.745534 0.572170 O\n0.652513 0.245534 0.072170 O\n0.917632 0.871308 0.368402 O\n0.648124 0.527236 0.050911 O\n0.341920 0.245113 0.873659 O\n0.082368 0.128692 0.868402 O\n0.351876 0.472764 0.949089 O\n0.158080 0.745113 0.373659 O\n0.648124 0.527236 0.449089 O\n0.047272 0.319517 0.250000 O\n0.158080 0.745113 0.126341 O\n0.078958 0.609139 0.579966 O\n0.547272 0.180483 0.250000 O\n0.658080 0.754887 0.373659 O\n0.952728 0.680483 0.750000 O\n0.841920 0.254887 0.873659 O\n0.834920 0.509619 0.868460 O\n0.869619 0.062880 0.750000 O\n0.165080 0.490381 0.131540 O\n0.658080 0.754887 0.126341 O\n0.665080 0.009619 0.368460 O\n0.148124 0.972764 0.449089 O\n0.582368 0.371308 0.868402 O\n0.847487 0.745534 0.927830 O\n0.152513 0.254466 0.427830 O\n0.417632 0.628692 0.131598 O\n0.452728 0.819517 0.750000 O\n0.630381 0.562880 0.250000 O\n0.578958 0.890861 0.920034 O\n0.334920 0.990381 0.868460 O\n0.665080 0.009619 0.131540 O\n0.841920 0.254887 0.626341 O\n0.582368 0.371308 0.631598 O\n0.917632 0.871308 0.131598 O\n0.148124 0.972764 0.050911 O\n0.652513 0.245534 0.427830 O\n0.152513 0.254466 0.072170 O\n0.130381 0.937120 0.250000 O\n0.851876 0.027236 0.949089 O\n0.851876 0.027236 0.550911 O\n0.165080 0.490381 0.368460 O\n0.921042 0.390861 0.420034 O\n0.347487 0.754466 0.927830 O\n0.834920 0.509619 0.631540 O\n0.351876 0.472764 0.550911 O\n0.417632 0.628692 0.368402 O\n0.078958 0.609139 0.920034 O\n","nsites":84,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":2.9447020076876003,"density_atomic":0.07225183716890177,"volume":1162.6001952536483,"volume_molar":8.33493098026304,"formula_full":"Fe12 P16 O56","formula_reduced":"Fe3(P2O7)2","formula_anonymous":"A3B4C14","energy":-667.5946497699999,"energy_per_atom":-7.947555354404761,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-602.05064977,"band_gap":1.8996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.9999829,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.464000Z","spacegroup":62},{"id":"mp-528","created_at":"2022-09-04T14:42:40.872432Z","structure_string":"U2 Zn17\n1.0\n5.098007 -4.469608 0.000000\n5.098007 4.469608 0.000000\n1.179339 0.000000 6.676544\nU Zn\n2 17\ndirect\n0.661700 0.661700 0.661700 U\n0.338300 0.338300 0.338300 U\n0.354146 0.354146 0.839694 Zn\n0.839694 0.354146 0.354146 Zn\n0.101735 0.101735 0.101735 Zn\n0.898265 0.898265 0.898265 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.701664 0.298336 Zn\n0.701664 0.298336 0.000000 Zn\n0.298336 0.000000 0.701664 Zn\n0.000000 0.298336 0.701664 Zn\n0.298336 0.701664 0.000000 Zn\n0.701664 0.000000 0.298336 Zn\n0.160306 0.645854 0.645854 Zn\n0.645854 0.645854 0.160306 Zn\n0.645854 0.160306 0.645854 Zn\n0.354146 0.839694 0.354146 Zn\n","nsites":19,"nelements":2,"elements":["U","Zn"],"chemical_system":"U-Zn","density":8.666644458967598,"density_atomic":0.0624456264390851,"volume":304.26470328605404,"volume_molar":9.643815113096062,"formula_full":"U2 Zn17","formula_reduced":"U2Zn17","formula_anonymous":"A2B17","energy":-44.37451267,"energy_per_atom":-2.335500666842105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.37451267,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0814061,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.646000Z","spacegroup":166},{"id":"mp-504184","created_at":"2022-09-04T14:42:40.876330Z","structure_string":"Li4 Fe4 P4 O16\n1.0\n5.112248 0.000023 0.009940\n0.000047 10.253861 -0.000338\n0.006486 -0.000229 6.897083\nLi Fe P O\n4 4 4 16\ndirect\n0.203092 0.150944 0.500862 Li\n0.296917 0.650934 0.999140 Li\n0.703068 0.349064 0.000868 Li\n0.796930 0.849065 0.499141 Li\n0.706091 0.343702 0.500801 Fe\n0.794063 0.843653 0.999293 Fe\n0.205856 0.156376 0.000706 Fe\n0.294098 0.656376 0.499229 Fe\n0.200759 0.403826 0.250084 P\n0.299183 0.903833 0.249917 P\n0.700829 0.096158 0.750091 P\n0.799170 0.596153 0.749906 P\n0.099226 0.623828 0.752137 O\n0.400769 0.123822 0.747888 O\n0.599248 0.876153 0.252137 O\n0.900686 0.376133 0.247785 O\n0.175065 0.842730 0.434355 O\n0.324967 0.342735 0.065665 O\n0.675005 0.657274 0.934317 O\n0.825010 0.157295 0.565715 O\n0.185309 0.839675 0.063159 O\n0.314660 0.339670 0.436819 O\n0.685313 0.660322 0.563149 O\n0.814679 0.160331 0.936857 O\n0.241992 0.052743 0.249445 O\n0.258002 0.552747 0.250563 O\n0.741986 0.447228 0.749425 O\n0.758027 0.947232 0.750545 O\n","nsites":28,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.8982425411650854,"density_atomic":0.0774451158855172,"volume":361.5463632515037,"volume_molar":7.776011038452309,"formula_full":"Li4 Fe4 P4 O16","formula_reduced":"LiFePO4","formula_anonymous":"ABCD4","energy":-211.45369568,"energy_per_atom":-7.551917702857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.43769568,"band_gap":3.3863000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.227000Z","spacegroup":14},{"id":"mp-667579","created_at":"2022-09-04T14:42:40.884752Z","structure_string":"Ag4 P4 Pb2 O14\n1.0\n5.506163 0.000000 0.000000\n-2.582745 6.619142 0.000000\n-0.593786 -3.673993 9.737080\nAg P Pb O\n4 4 2 14\ndirect\n0.469491 0.702316 0.193682 Ag\n0.935212 0.256846 0.973051 Ag\n0.064788 0.743154 0.026949 Ag\n0.530509 0.297684 0.806318 Ag\n0.327124 0.201492 0.163399 P\n0.672876 0.798508 0.836601 P\n0.091667 0.209066 0.638230 P\n0.908333 0.790934 0.361770 P\n0.225750 0.736246 0.630975 Pb\n0.774250 0.263754 0.369025 Pb\n0.053725 0.356304 0.727427 O\n0.736498 0.883755 0.955719 O\n0.685541 0.864520 0.340866 O\n0.365550 0.697350 0.851152 O\n0.946275 0.643696 0.272573 O\n0.812726 0.650237 0.806771 O\n0.187274 0.349763 0.193229 O\n0.798181 0.997795 0.697466 O\n0.201819 0.002205 0.302534 O\n0.123540 0.302531 0.489426 O\n0.876460 0.697469 0.510574 O\n0.314459 0.135480 0.659134 O\n0.634450 0.302650 0.148848 O\n0.263502 0.116245 0.044281 O\n","nsites":24,"nelements":4,"elements":["Ag","P","Pb","O"],"chemical_system":"Ag-O-P-Pb","density":5.585813345077805,"density_atomic":0.0676288093876074,"volume":354.8783457423674,"volume_molar":8.904697294735346,"formula_full":"Ag4 P4 Pb2 O14","formula_reduced":"Ag2P2PbO7","formula_anonymous":"AB2C2D7","energy":-114.59301669,"energy_per_atom":-4.77470902875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.97501669,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.878000Z","spacegroup":2},{"id":"mp-17481","created_at":"2022-09-04T14:42:41.431203Z","structure_string":"Mg8 Ta4 O18\n1.0\n2.605996 -4.513718 0.000000\n2.605996 4.513718 0.000000\n0.000000 0.000000 14.186694\nMg Ta O\n8 4 18\ndirect\n0.333333 0.666667 0.016510 Mg\n0.666667 0.333333 0.483490 Mg\n0.666667 0.333333 0.983490 Mg\n0.333333 0.666667 0.516510 Mg\n0.333333 0.666667 0.808926 Mg\n0.666667 0.333333 0.691074 Mg\n0.666667 0.333333 0.191074 Mg\n0.333333 0.666667 0.308926 Mg\n0.000000 0.000000 0.357116 Ta\n0.000000 0.000000 0.142884 Ta\n0.000000 0.000000 0.642884 Ta\n0.000000 0.000000 0.857116 Ta\n0.288149 0.288149 0.750000 O\n0.000000 0.711851 0.750000 O\n0.711851 0.000000 0.750000 O\n0.711851 0.711851 0.250000 O\n0.000000 0.288149 0.250000 O\n0.288149 0.000000 0.250000 O\n0.682923 0.654113 0.584722 O\n0.345887 0.028809 0.584722 O\n0.971191 0.317077 0.584722 O\n0.028809 0.345887 0.915278 O\n0.317077 0.971191 0.915278 O\n0.654113 0.682923 0.915278 O\n0.345887 0.317077 0.084722 O\n0.682923 0.028809 0.084722 O\n0.971191 0.654113 0.084722 O\n0.028809 0.682923 0.415278 O\n0.654113 0.971191 0.415278 O\n0.317077 0.345887 0.415278 O\n","nsites":30,"nelements":3,"elements":["Mg","Ta","O"],"chemical_system":"Mg-O-Ta","density":6.001454495811606,"density_atomic":0.08988803579249266,"volume":333.7485321100493,"volume_molar":6.69960212936699,"formula_full":"Mg8 Ta4 O18","formula_reduced":"Mg4Ta2O9","formula_anonymous":"A2B4C9","energy":-246.7838533,"energy_per_atom":-8.226128443333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-234.4178533,"band_gap":4.1167,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016206,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.081000Z","spacegroup":165}]}