{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=10233","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=10231","results":[{"id":"mp-1103076","created_at":"2022-09-04T14:40:24.513045Z","structure_string":"Sc3 Si4 Ni4\n1.0\n0.000000 0.000000 -3.858287\n0.000000 -6.479686 0.000000\n-6.345432 3.239844 1.929144\nSc Si Ni\n3 4 4\ndirect\n0.000000 0.500000 0.000000 Sc\n0.873346 0.873346 0.746693 Sc\n0.126654 0.126654 0.253307 Sc\n0.780346 0.280346 0.560692 Si\n0.219654 0.719654 0.439308 Si\n0.500000 0.812176 0.000000 Si\n0.500000 0.187824 0.000000 Si\n0.675033 0.478722 0.350065 Ni\n0.675033 0.871343 0.350065 Ni\n0.324967 0.128657 0.649935 Ni\n0.324967 0.521278 0.649935 Ni\n","nsites":11,"nelements":3,"elements":["Sc","Si","Ni"],"chemical_system":"Ni-Sc-Si","density":5.045119248325228,"density_atomic":0.06933986635253583,"volume":158.63889820718867,"volume_molar":8.684961591045472,"formula_full":"Sc3 Si4 Ni4","formula_reduced":"Sc3(SiNi)4","formula_anonymous":"A3B4C4","energy":-72.86379926999999,"energy_per_atom":-6.623981751818181,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.14779927,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001009,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.583000Z","spacegroup":71},{"id":"mp-1223196","created_at":"2022-09-04T14:40:24.511244Z","structure_string":"La5 Al15 Cu4 Au1\n1.0\n4.330941 0.000000 0.000000\n0.000000 4.330941 0.000000\n2.165470 2.165470 26.854953\nLa Al Cu Au\n5 15 4 1\ndirect\n0.000516 0.000516 0.998968 La\n0.400697 0.400697 0.198605 La\n0.800740 0.800740 0.398520 La\n0.200876 0.200876 0.598249 La\n0.601798 0.601798 0.796404 La\n0.451017 0.951017 0.097966 Al\n0.851088 0.351088 0.297824 Al\n0.251082 0.751082 0.497836 Al\n0.651562 0.151562 0.696877 Al\n0.049452 0.549452 0.901096 Al\n0.951017 0.451017 0.097966 Al\n0.351088 0.851088 0.297824 Al\n0.751082 0.251082 0.497836 Al\n0.151562 0.651562 0.696877 Al\n0.549452 0.049452 0.901096 Al\n0.919926 0.919926 0.160148 Al\n0.319997 0.319997 0.360006 Al\n0.720004 0.720004 0.559992 Al\n0.121577 0.121577 0.756845 Al\n0.519232 0.519232 0.961535 Al\n0.474102 0.474102 0.051797 Cu\n0.874327 0.874327 0.251347 Cu\n0.274350 0.274350 0.451300 Cu\n0.674476 0.674476 0.651047 Cu\n0.074979 0.074979 0.850042 Au\n","nsites":25,"nelements":4,"elements":["La","Al","Cu","Au"],"chemical_system":"Al-Au-Cu-La","density":5.1109802795872294,"density_atomic":0.0496307773208345,"volume":503.7196947045448,"volume_molar":12.133883620379981,"formula_full":"La5 Al15 Cu4 Au1","formula_reduced":"La5Al15Cu4Au","formula_anonymous":"AB4C5D15","energy":-113.41870643,"energy_per_atom":-4.5367482572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.41870643,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001285,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.686000Z","spacegroup":107},{"id":"mp-1233936","created_at":"2022-09-04T14:40:24.500892Z","structure_string":"Mg1 Ti1 H6 O2 F6\n1.0\n0.000000 0.000000 -6.189035\n-2.914913 -5.048779 0.000000\n-2.914913 5.048778 0.000000\nMg Ti H O F\n1 1 6 2 6\ndirect\n0.338917 0.666667 0.333333 Mg\n0.990594 0.000000 0.000000 Ti\n0.725927 0.841448 0.316330 H\n0.725927 0.474883 0.158552 H\n0.264729 0.509931 0.682917 H\n0.725927 0.683670 0.525117 H\n0.264729 0.317083 0.827013 H\n0.264729 0.172987 0.490069 H\n0.659954 0.666667 0.333333 O\n0.311033 0.333333 0.666667 O\n0.787948 0.701571 0.733500 F\n0.787948 0.031929 0.298429 F\n0.228868 0.916716 0.242363 F\n0.787948 0.266500 0.968071 F\n0.228868 0.757637 0.674353 F\n0.228868 0.325647 0.083284 F\n","nsites":16,"nelements":5,"elements":["Mg","Ti","H","O","F"],"chemical_system":"F-H-Mg-O-Ti","density":2.0437935168318306,"density_atomic":0.08783247756333151,"volume":182.1649627094171,"volume_molar":6.85639404360163,"formula_full":"Mg1 Ti1 H6 O2 F6","formula_reduced":"MgTiH6(OF3)2","formula_anonymous":"ABC2D6E6","energy":-84.90081968,"energy_per_atom":-5.30630123,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.75481968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9987165,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.612000Z","spacegroup":143},{"id":"mp-793763","created_at":"2022-09-04T14:40:24.500507Z","structure_string":"Nb1 Cr2 Fe3 P6 O24\n1.0\n7.608882 -4.362521 0.000000\n7.608882 4.362521 0.000000\n5.107648 0.000000 7.130119\nNb Cr Fe P O\n1 2 3 6 24\ndirect\n0.855320 0.855320 0.855320 Nb\n0.008698 0.008698 0.008698 Cr\n0.500710 0.500710 0.500710 Cr\n0.148986 0.148986 0.148986 Fe\n0.354738 0.354738 0.354738 Fe\n0.644264 0.644264 0.644264 Fe\n0.450558 0.747861 0.043836 P\n0.540041 0.254054 0.956401 P\n0.956401 0.540041 0.254054 P\n0.254054 0.956401 0.540041 P\n0.747861 0.043836 0.450558 P\n0.043836 0.450558 0.747861 P\n0.310430 0.113093 0.505040 O\n0.505040 0.310430 0.113093 O\n0.913511 0.059728 0.261593 O\n0.113093 0.505040 0.310430 O\n0.815986 0.990185 0.613860 O\n0.589374 0.236499 0.445133 O\n0.059728 0.261593 0.913511 O\n0.236499 0.445133 0.589374 O\n0.390558 0.183567 0.998751 O\n0.445133 0.589374 0.236499 O\n0.738421 0.088635 0.934236 O\n0.998751 0.390558 0.183567 O\n0.990185 0.613860 0.815986 O\n0.261593 0.913511 0.059728 O\n0.560487 0.412160 0.761727 O\n0.613860 0.815986 0.990185 O\n0.761727 0.560487 0.412160 O\n0.934236 0.738421 0.088635 O\n0.412160 0.761727 0.560487 O\n0.183567 0.998751 0.390558 O\n0.887507 0.499351 0.684701 O\n0.088635 0.934236 0.738421 O\n0.499351 0.684701 0.887507 O\n0.684701 0.887507 0.499351 O\n","nsites":36,"nelements":5,"elements":["Nb","Cr","Fe","P","O"],"chemical_system":"Cr-Fe-Nb-O-P","density":3.277423123829531,"density_atomic":0.07605317465566529,"volume":473.35302126429144,"volume_molar":7.918329231180101,"formula_full":"Nb1 Cr2 Fe3 P6 O24","formula_reduced":"NbCr2Fe3(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-294.14543759000003,"energy_per_atom":-8.170706599722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.89143759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.9120691,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.984000Z","spacegroup":146},{"id":"mp-989400","created_at":"2022-09-04T14:40:24.497808Z","structure_string":"Rb2 Na1 Ga1 F6\n1.0\n0.000000 4.284531 4.284531\n4.284531 0.000000 4.284531\n4.284531 4.284531 0.000000\nRb Na Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.773772 0.226228 0.226228 F\n0.226228 0.226228 0.773772 F\n0.226228 0.773772 0.773772 F\n0.226228 0.773772 0.226228 F\n0.773772 0.226228 0.773772 F\n0.773772 0.773772 0.226228 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Ga","F"],"chemical_system":"F-Ga-Na-Rb","density":3.986445482271536,"density_atomic":0.0635711599733431,"volume":157.30403541784102,"volume_molar":9.473070434022642,"formula_full":"Rb2 Na1 Ga1 F6","formula_reduced":"Rb2NaGaF6","formula_anonymous":"ABC2D6","energy":-48.57531475,"energy_per_atom":-4.857531475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.80331475,"band_gap":5.9026,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.7e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.713000Z","spacegroup":225},{"id":"mp-1019575","created_at":"2022-09-04T14:40:24.495438Z","structure_string":"Ca16 Al24 S4 O64\n1.0\n9.254656 0.000000 0.000000\n0.000000 13.097275 0.000000\n0.000000 0.000000 13.266630\nCa Al S O\n16 24 4 64\ndirect\n0.651954 0.943181 0.249229 Ca\n0.651954 0.056819 0.750771 Ca\n0.151954 0.943181 0.750771 Ca\n0.151954 0.056819 0.249229 Ca\n0.792498 0.746619 0.935579 Ca\n0.792498 0.253381 0.064421 Ca\n0.292498 0.746619 0.064421 Ca\n0.292498 0.253381 0.935579 Ca\n0.739770 0.741704 0.524320 Ca\n0.739770 0.258296 0.475680 Ca\n0.239770 0.741704 0.475680 Ca\n0.239770 0.258296 0.524320 Ca\n0.718989 0.509120 0.254040 Ca\n0.718989 0.490880 0.745960 Ca\n0.218989 0.509120 0.745960 Ca\n0.218989 0.490880 0.254040 Ca\n0.728949 0.500000 0.500000 Al\n0.228949 0.500000 0.500000 Al\n0.745111 0.500000 0.000000 Al\n0.245111 0.500000 0.000000 Al\n0.724292 0.000000 0.000000 Al\n0.224292 0.000000 0.000000 Al\n0.699317 0.000000 0.500000 Al\n0.199317 0.000000 0.500000 Al\n0.491545 0.373163 0.120957 Al\n0.491545 0.626837 0.879043 Al\n0.991545 0.373163 0.879043 Al\n0.991545 0.626837 0.120957 Al\n0.452213 0.880281 0.630144 Al\n0.452213 0.119719 0.369856 Al\n0.952213 0.880281 0.369856 Al\n0.952213 0.119719 0.630144 Al\n0.477223 0.629614 0.631254 Al\n0.477223 0.370386 0.368746 Al\n0.977223 0.629614 0.368746 Al\n0.977223 0.370386 0.631254 Al\n0.472232 0.877616 0.878289 Al\n0.472232 0.122384 0.121711 Al\n0.972232 0.877616 0.121711 Al\n0.972232 0.122384 0.878289 Al\n0.470087 0.723114 0.265614 S\n0.470087 0.276886 0.734386 S\n0.970087 0.723114 0.734386 S\n0.970087 0.276886 0.265614 S\n0.110424 0.330250 0.265144 O\n0.110424 0.669750 0.734856 O\n0.610424 0.330250 0.734856 O\n0.610424 0.669750 0.265144 O\n0.978197 0.185213 0.196772 O\n0.978197 0.814787 0.803228 O\n0.478197 0.185213 0.803228 O\n0.478197 0.814787 0.196772 O\n0.936975 0.241950 0.369730 O\n0.936975 0.758050 0.630270 O\n0.436975 0.241950 0.630270 O\n0.436975 0.758050 0.369730 O\n0.851654 0.343057 0.225362 O\n0.851654 0.656943 0.774638 O\n0.351654 0.343057 0.774638 O\n0.351654 0.656943 0.225362 O\n0.943528 0.590233 0.244736 O\n0.943528 0.409767 0.755264 O\n0.443528 0.590233 0.755264 O\n0.443528 0.409767 0.244736 O\n0.638630 0.431511 0.405523 O\n0.638630 0.568489 0.594477 O\n0.138630 0.431511 0.594477 O\n0.138630 0.568489 0.405523 O\n0.644570 0.450556 0.100604 O\n0.644570 0.549444 0.899396 O\n0.144570 0.450556 0.899396 O\n0.144570 0.549444 0.100604 O\n0.017277 0.242918 0.604589 O\n0.017277 0.757082 0.395411 O\n0.517277 0.242918 0.395411 O\n0.517277 0.757082 0.604589 O\n0.321809 0.402931 0.436724 O\n0.321809 0.597069 0.563276 O\n0.821809 0.402931 0.563276 O\n0.821809 0.597069 0.436724 O\n0.295847 0.104633 0.446666 O\n0.295847 0.895367 0.553334 O\n0.795847 0.104633 0.553334 O\n0.795847 0.895367 0.446666 O\n0.048894 0.245312 0.896391 O\n0.048894 0.754688 0.103609 O\n0.548894 0.245312 0.103609 O\n0.548894 0.754688 0.896391 O\n0.327970 0.109013 0.034618 O\n0.327970 0.890987 0.965382 O\n0.827970 0.109013 0.965382 O\n0.827970 0.890987 0.034618 O\n0.344959 0.391875 0.039335 O\n0.344959 0.608125 0.960665 O\n0.844959 0.391875 0.960665 O\n0.844959 0.608125 0.039335 O\n0.897181 0.903560 0.243477 O\n0.897181 0.096440 0.756523 O\n0.397181 0.903560 0.756523 O\n0.397181 0.096440 0.243477 O\n0.620161 0.036596 0.107190 O\n0.620161 0.963404 0.892810 O\n0.120161 0.036596 0.892810 O\n0.120161 0.963404 0.107190 O\n0.598631 0.037571 0.392897 O\n0.598631 0.962429 0.607103 O\n0.098631 0.037571 0.607103 O\n0.098631 0.962429 0.392897 O\n","nsites":108,"nelements":4,"elements":["Ca","Al","S","O"],"chemical_system":"Al-Ca-O-S","density":2.520691822503156,"density_atomic":0.0671617357430126,"volume":1608.0584994594358,"volume_molar":8.96662466116584,"formula_full":"Ca16 Al24 S4 O64","formula_reduced":"Ca4Al6SO16","formula_anonymous":"AB4C6D16","energy":-811.14994536,"energy_per_atom":-7.510647642222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-767.18194536,"band_gap":4.4065,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.12e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.945000Z","spacegroup":27},{"id":"mp-1079659","created_at":"2022-09-04T14:40:24.491852Z","structure_string":"Ta2 B4 Mo4\n1.0\n6.126533 0.000000 0.000000\n0.000000 6.126533 0.000000\n0.000000 0.000000 3.192332\nTa B Mo\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.109299 0.609299 0.000000 B\n0.890701 0.390701 0.000000 B\n0.609299 0.890701 0.000000 B\n0.390701 0.109299 0.000000 B\n0.673827 0.173827 0.500000 Mo\n0.326173 0.826173 0.500000 Mo\n0.173827 0.326173 0.500000 Mo\n0.826173 0.673827 0.500000 Mo\n","nsites":10,"nelements":3,"elements":["Ta","B","Mo"],"chemical_system":"B-Mo-Ta","density":10.932848143147538,"density_atomic":0.08345692797332288,"volume":119.82228729047532,"volume_molar":7.215866802484014,"formula_full":"Ta2 B4 Mo4","formula_reduced":"Ta(BMo)2","formula_anonymous":"AB2C2","energy":-98.36757136,"energy_per_atom":-9.836757136,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.36757136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010086,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.273000Z","spacegroup":127},{"id":"mp-4558","created_at":"2022-09-04T14:40:24.484293Z","structure_string":"Li8 Ge2 O8\n1.0\n3.716275 -3.939777 0.000000\n3.716275 3.939777 0.000000\n0.000000 0.000000 6.138365\nLi Ge O\n8 2 8\ndirect\n0.421159 0.125382 0.750000 Li\n0.578841 0.874618 0.250000 Li\n0.838143 0.161857 0.000000 Li\n0.161857 0.838143 0.500000 Li\n0.161857 0.838143 0.000000 Li\n0.838143 0.161857 0.500000 Li\n0.874618 0.578841 0.250000 Li\n0.125382 0.421159 0.750000 Li\n0.661299 0.661299 0.750000 Ge\n0.338701 0.338701 0.250000 Ge\n0.655775 0.266826 0.250000 O\n0.344225 0.733174 0.750000 O\n0.203708 0.203708 0.007548 O\n0.796292 0.796292 0.507548 O\n0.203708 0.203708 0.492452 O\n0.796292 0.796292 0.992452 O\n0.266826 0.655775 0.250000 O\n0.733174 0.344225 0.750000 O\n","nsites":18,"nelements":3,"elements":["Li","Ge","O"],"chemical_system":"Ge-Li-O","density":3.037546563834888,"density_atomic":0.10014062929381817,"volume":179.7472227499889,"volume_molar":6.013683758997264,"formula_full":"Li8 Ge2 O8","formula_reduced":"Li4GeO4","formula_anonymous":"AB4C4","energy":-105.46309483,"energy_per_atom":-5.859060823888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.96709483,"band_gap":4.156499999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.81e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.630000Z","spacegroup":63},{"id":"mp-557112","created_at":"2022-09-04T14:40:24.479227Z","structure_string":"Li8 Ga6 Si6 I2 O24\n1.0\n8.741057 0.000000 0.000000\n0.000000 8.741057 0.000000\n0.000000 0.000000 8.741057\nLi Ga Si I O\n8 6 6 2 24\ndirect\n0.188981 0.811019 0.811019 Li\n0.811019 0.188981 0.811019 Li\n0.688981 0.311019 0.311019 Li\n0.188981 0.188981 0.188981 Li\n0.811019 0.811019 0.188981 Li\n0.688981 0.688981 0.688981 Li\n0.311019 0.311019 0.688981 Li\n0.311019 0.688981 0.311019 Li\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.250000 0.500000 Ga\n0.750000 0.500000 0.000000 Ga\n0.000000 0.500000 0.250000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.750000 Si\n0.750000 0.000000 0.500000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n0.130002 0.591310 0.851366 O\n0.091310 0.630002 0.351366 O\n0.408690 0.851366 0.869998 O\n0.408690 0.148634 0.130002 O\n0.148634 0.869998 0.591310 O\n0.591310 0.851366 0.130002 O\n0.351366 0.091310 0.630002 O\n0.908690 0.369998 0.351366 O\n0.591310 0.148634 0.869998 O\n0.369998 0.648634 0.091310 O\n0.351366 0.908690 0.369998 O\n0.091310 0.369998 0.648634 O\n0.869998 0.591310 0.148634 O\n0.648634 0.908690 0.630002 O\n0.908690 0.630002 0.648634 O\n0.869998 0.408690 0.851366 O\n0.630002 0.351366 0.091310 O\n0.648634 0.091310 0.369998 O\n0.851366 0.869998 0.408690 O\n0.369998 0.351366 0.908690 O\n0.148634 0.130002 0.408690 O\n0.130002 0.408690 0.148634 O\n0.630002 0.648634 0.908690 O\n0.851366 0.130002 0.591310 O\n","nsites":46,"nelements":5,"elements":["Li","Ga","Si","I","O"],"chemical_system":"Ga-I-Li-O-Si","density":3.182922668064786,"density_atomic":0.06887569194154942,"volume":667.8698783750497,"volume_molar":8.74349221073615,"formula_full":"Li8 Ga6 Si6 I2 O24","formula_reduced":"Li4Ga3Si3IO12","formula_anonymous":"AB3C3D4E12","energy":-311.21939595,"energy_per_atom":-6.765639042391304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.97339595,"band_gap":3.4396999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001595,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.449000Z","spacegroup":218},{"id":"mp-1048520","created_at":"2022-09-04T14:40:24.478878Z","structure_string":"Ba2 Mo8 O14\n1.0\n3.408202 -5.903179 0.000000\n3.408202 5.903179 0.000000\n0.000000 0.000000 11.301117\nBa Mo O\n2 8 14\ndirect\n0.666667 0.333333 0.460462 Ba\n0.333333 0.666667 0.960462 Ba\n0.812859 0.187141 0.183311 Mo\n0.625718 0.812859 0.683311 Mo\n0.187141 0.374282 0.683311 Mo\n0.812859 0.625718 0.183311 Mo\n0.374282 0.187141 0.183311 Mo\n0.187141 0.812859 0.683311 Mo\n0.000000 0.000000 0.423140 Mo\n0.000000 0.000000 0.923140 Mo\n0.858235 0.141765 0.011383 O\n0.716470 0.858235 0.511383 O\n0.141765 0.283530 0.511383 O\n0.858235 0.716470 0.011383 O\n0.283530 0.141765 0.011383 O\n0.141765 0.858235 0.511383 O\n0.000000 0.000000 0.745225 O\n0.000000 0.000000 0.245225 O\n0.524496 0.475504 0.280381 O\n0.048991 0.524496 0.780381 O\n0.475504 0.951009 0.780381 O\n0.524496 0.048991 0.280381 O\n0.475504 0.524496 0.780381 O\n0.951009 0.475504 0.280381 O\n","nsites":24,"nelements":3,"elements":["Ba","Mo","O"],"chemical_system":"Ba-Mo-O","density":4.623564935408563,"density_atomic":0.05277747339903005,"volume":454.7394646679141,"volume_molar":11.410437772321773,"formula_full":"Ba2 Mo8 O14","formula_reduced":"BaMo4O7","formula_anonymous":"AB4C7","energy":-194.41365328,"energy_per_atom":-8.100568886666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.17965328,"band_gap":0.0160999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9984615,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.189000Z","spacegroup":186},{"id":"mp-1093595","created_at":"2022-09-04T14:40:24.478115Z","structure_string":"Sc1 Pb1 Au2\n1.0\n-5.323281 7.299399 10.162126\n5.323281 -7.299399 10.162126\n5.323281 7.299399 -10.162126\nSc Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Pb\n0.000000 0.239375 0.239375 Au\n0.000000 0.760625 0.760625 Au\n","nsites":4,"nelements":3,"elements":["Sc","Pb","Au"],"chemical_system":"Au-Pb-Sc","density":0.6792512022049834,"density_atomic":0.0025324969383036205,"volume":1579.4688394290333,"volume_molar":237.79459192688694,"formula_full":"Sc1 Pb1 Au2","formula_reduced":"ScPbAu2","formula_anonymous":"ABC2","energy":-11.60186703,"energy_per_atom":-2.9004667575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.60186703,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9997267,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.993000Z","spacegroup":71},{"id":"mp-865011","created_at":"2022-09-04T14:40:24.477862Z","structure_string":"Mn2 Nb1 Al1\n1.0\n0.000000 3.008959 3.008959\n3.008959 0.000000 3.008959\n3.008959 3.008959 0.000000\nMn Nb Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.499999 Mn\n0.750000 0.750000 0.750000 Nb\n0.250001 0.250001 0.250001 Al\n","nsites":4,"nelements":3,"elements":["Mn","Nb","Al"],"chemical_system":"Al-Mn-Nb","density":7.002486675426129,"density_atomic":0.07341438844310556,"volume":54.48523218442263,"volume_molar":8.202943438896884,"formula_full":"Mn2 Nb1 Al1","formula_reduced":"Mn2NbAl","formula_anonymous":"ABC2","energy":-33.1970765,"energy_per_atom":-8.299269125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.1970765,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9980219,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.048000Z","spacegroup":225}]}