{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=12192","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=12190","results":[{"id":"mp-1001608","created_at":"2022-09-04T14:48:20.372584Z","structure_string":"C48 O36\n1.0\n8.576111 0.000000 0.000000\n0.000000 -12.128452 0.000000\n0.000000 6.064226 -10.503548\nC O\n48 36\ndirect\n0.618105 0.485314 0.683592 C\n0.514686 0.801722 0.419827 C\n0.198278 0.381895 0.896581 C\n0.609733 0.580532 0.883302 C\n0.419468 0.697230 0.306963 C\n0.302770 0.390267 0.809735 C\n0.115502 0.822910 0.815345 C\n0.177090 0.007566 0.123068 C\n0.992434 0.884498 0.061587 C\n0.153987 0.761273 0.632068 C\n0.238727 0.129205 0.283192 C\n0.870795 0.846013 0.084740 C\n0.074181 0.321389 0.020450 C\n0.678611 0.300939 0.375121 C\n0.699061 0.925819 0.604429 C\n0.081762 0.225298 0.028416 C\n0.774702 0.196882 0.278645 C\n0.803118 0.918238 0.692939 C\n0.574856 0.986523 0.480583 C\n0.013477 0.505940 0.080797 C\n0.494060 0.425144 0.438620 C\n0.582394 0.082341 0.472054 C\n0.917659 0.610288 0.192682 C\n0.389712 0.417606 0.335264 C\n0.576559 0.322632 0.314556 C\n0.677368 0.008076 0.584635 C\n0.991924 0.423441 0.100809 C\n0.536629 0.259922 0.131149 C\n0.740078 0.128773 0.665403 C\n0.871227 0.463371 0.203448 C\n0.075295 0.985783 0.184512 C\n0.014217 0.801271 0.876566 C\n0.198729 0.924705 0.938922 C\n0.083814 0.081455 0.384275 C\n0.918544 0.697180 0.780994 C\n0.302820 0.916186 0.834731 C\n0.115065 0.483925 0.976325 C\n0.516075 0.507600 0.622665 C\n0.492400 0.884935 0.401010 C\n0.154348 0.546681 0.918272 C\n0.453319 0.628409 0.782757 C\n0.371591 0.845652 0.298971 C\n0.616058 0.824048 0.525171 C\n0.175952 0.298877 0.914935 C\n0.701123 0.383942 0.559894 C\n0.655337 0.762272 0.584960 C\n0.237728 0.177313 0.832650 C\n0.822687 0.344663 0.582390 C\n0.513042 0.667189 0.935206 O\n0.332811 0.731982 0.245024 O\n0.268018 0.486958 0.819770 O\n0.663497 0.588126 0.991918 O\n0.411874 0.596208 0.259705 O\n0.403792 0.336503 0.748377 O\n0.101815 0.682204 0.488518 O\n0.317796 0.193686 0.295501 O\n0.806314 0.898185 0.215981 O\n0.178026 0.138218 0.906521 O\n0.861782 0.231697 0.409723 O\n0.768303 0.821974 0.683757 O\n0.027891 0.217824 0.121644 O\n0.782176 0.096179 0.124070 O\n0.903821 0.972109 0.754285 O\n0.679991 0.167727 0.590853 O\n0.832273 0.576874 0.256865 O\n0.423126 0.320009 0.152282 O\n0.526691 0.090622 0.380408 O\n0.909378 0.710214 0.236904 O\n0.289786 0.473309 0.382687 O\n0.586565 0.178254 0.986710 O\n0.821746 0.191544 0.778109 O\n0.808456 0.413435 0.235181 O\n0.180610 0.167503 0.435564 O\n0.832497 0.731939 0.912549 O\n0.268061 0.819390 0.651887 O\n0.028826 0.090136 0.492974 O\n0.909864 0.597162 0.625988 O\n0.402838 0.971174 0.881038 O\n0.104908 0.629063 0.937877 O\n0.370937 0.691186 0.796093 O\n0.308814 0.895092 0.266030 O\n0.605290 0.680543 0.566252 O\n0.319457 0.114292 0.719582 O\n0.885708 0.394710 0.714166 O\n","nsites":84,"nelements":2,"elements":["C","O"],"chemical_system":"C-O","density":1.7516818305552737,"density_atomic":0.07688604020979223,"volume":1092.5260264515707,"volume_molar":7.832554184827194,"formula_full":"C48 O36","formula_reduced":"C4O3","formula_anonymous":"A3B4","energy":-558.27182339,"energy_per_atom":-6.646093135595239,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-533.53982339,"band_gap":0.0519,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9988231,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.906000Z","spacegroup":1},{"id":"mp-1001606","created_at":"2022-09-04T14:47:05.839613Z","structure_string":"Lu1 Fe1 C2\n1.0\n2.265942 -2.949352 0.000000\n2.265942 2.949352 0.000000\n0.000000 0.000000 3.471353\nLu Fe C\n1 1 2\ndirect\n0.004559 0.995441 0.000000 Lu\n0.613014 0.386986 0.500000 Fe\n0.453797 0.856370 0.500000 C\n0.143630 0.546203 0.500000 C\n","nsites":4,"nelements":3,"elements":["Lu","Fe","C"],"chemical_system":"C-Fe-Lu","density":9.120135150318614,"density_atomic":0.08620963758192227,"volume":46.39852471481426,"volume_molar":6.985461172223759,"formula_full":"Lu1 Fe1 C2","formula_reduced":"LuFeC2","formula_anonymous":"ABC2","energy":-32.59260539,"energy_per_atom":-8.1481513475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.59260539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0705178,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.293000Z","spacegroup":38},{"id":"mp-1001605","created_at":"2022-09-04T14:46:40.029943Z","structure_string":"Pr1 Bi1\n1.0\n4.277754 0.000000 0.000000\n0.000000 4.277754 0.000000\n0.000000 0.000000 3.479019\nPr Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Bi\n","nsites":2,"nelements":2,"elements":["Pr","Bi"],"chemical_system":"Bi-Pr","density":9.126196062741478,"density_atomic":0.031415326880800704,"volume":63.66319241523756,"volume_molar":19.169435297776246,"formula_full":"Pr1 Bi1","formula_reduced":"PrBi","formula_anonymous":"AB","energy":-10.22664117,"energy_per_atom":-5.113320585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.22664117,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.533000Z","spacegroup":123},{"id":"mp-1001604","created_at":"2022-09-04T14:41:10.100776Z","structure_string":"Lu1 Tl1 S2\n1.0\n7.613344 -1.976800 0.000000\n7.613344 1.976800 0.000000\n7.100069 0.000000 3.385228\nLu Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Tl\n0.731095 0.731095 0.731095 S\n0.268905 0.268905 0.268905 S\n","nsites":4,"nelements":3,"elements":["Lu","Tl","S"],"chemical_system":"Lu-S-Tl","density":7.227154255738362,"density_atomic":0.03925580481237165,"volume":101.89575832462316,"volume_molar":15.340764986945562,"formula_full":"Lu1 Tl1 S2","formula_reduced":"LuTlS2","formula_anonymous":"ABC2","energy":-22.07125746,"energy_per_atom":-5.517814365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.06525746,"band_gap":1.3485000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0100663,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.092000Z","spacegroup":166},{"id":"mp-1001603","created_at":"2022-09-04T14:47:17.820096Z","structure_string":"Lu1 Ni1 C2\n1.0\n2.248678 -2.979562 0.000000\n2.248678 2.979562 0.000000\n0.000000 0.000000 3.468055\nLu Ni C\n1 1 2\ndirect\n0.000990 0.999010 0.000000 Lu\n0.612294 0.387706 0.500000 Ni\n0.453978 0.852261 0.500000 C\n0.147739 0.546022 0.500000 C\n","nsites":4,"nelements":3,"elements":["Lu","Ni","C"],"chemical_system":"C-Lu-Ni","density":9.207403443008785,"density_atomic":0.08607248100109403,"volume":46.47246080834079,"volume_molar":6.99659251128529,"formula_full":"Lu1 Ni1 C2","formula_reduced":"LuNiC2","formula_anonymous":"ABC2","energy":-30.13417428,"energy_per_atom":-7.53354357,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.13417428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002181,"is_theoretical":false,"updated_at":"2021-11-28T01:38:00.127000Z","spacegroup":38},{"id":"mp-1001602","created_at":"2022-09-04T14:40:15.850635Z","structure_string":"B12 W1\n1.0\n0.000000 3.668196 3.668196\n3.668196 0.000000 3.668196\n3.668196 3.668196 0.000000\nB W\n12 1\ndirect\n0.500000 0.840587 0.500000 B\n0.840587 0.500000 0.500000 B\n0.500000 0.840587 0.159413 B\n0.159413 0.500000 0.840587 B\n0.840587 0.500000 0.159413 B\n0.500000 0.500000 0.840587 B\n0.159413 0.840587 0.500000 B\n0.500000 0.159413 0.840587 B\n0.500000 0.500000 0.159413 B\n0.840587 0.159413 0.500000 B\n0.159413 0.500000 0.500000 B\n0.500000 0.159413 0.500000 B\n0.000000 0.000000 0.000000 W\n","nsites":13,"nelements":2,"elements":["B","W"],"chemical_system":"B-W","density":5.27471232610937,"density_atomic":0.13169089759133298,"volume":98.71601027689839,"volume_molar":4.572936224254529,"formula_full":"B12 W1","formula_reduced":"B12W","formula_anonymous":"AB12","energy":-90.43893742,"energy_per_atom":-6.95684134,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.43893742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.886000Z","spacegroup":225},{"id":"mp-1001600","created_at":"2022-09-04T14:42:16.840004Z","structure_string":"Hf1 B12\n1.0\n0.000000 3.692201 3.692201\n3.692201 0.000000 3.692201\n3.692201 3.692201 0.000000\nHf B\n1 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.839290 0.500000 B\n0.839290 0.500000 0.500000 B\n0.500000 0.839290 0.160710 B\n0.160710 0.500000 0.839290 B\n0.839290 0.500000 0.160710 B\n0.500000 0.500000 0.839290 B\n0.160710 0.839290 0.500000 B\n0.500000 0.160710 0.839290 B\n0.500000 0.500000 0.160710 B\n0.839290 0.160710 0.500000 B\n0.160710 0.500000 0.500000 B\n0.500000 0.160710 0.500000 B\n","nsites":13,"nelements":2,"elements":["Hf","B"],"chemical_system":"B-Hf","density":5.0842480323042745,"density_atomic":0.12913897942337477,"volume":100.66673949296319,"volume_molar":4.663302115975965,"formula_full":"Hf1 B12","formula_reduced":"HfB12","formula_anonymous":"AB12","energy":-92.62325673,"energy_per_atom":-7.1248659023076915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.62325673,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005016,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.737000Z","spacegroup":225},{"id":"mp-1001594","created_at":"2022-09-04T14:42:15.527558Z","structure_string":"C48 O36\n1.0\n7.414046 -7.427130 0.000000\n7.414046 7.427130 0.000000\n-0.026191 0.000000 10.494267\nC O\n48 36\ndirect\n0.514686 0.198278 0.618105 C\n0.198278 0.618105 0.514686 C\n0.618105 0.514686 0.198278 C\n0.419468 0.302770 0.609733 C\n0.302770 0.609733 0.419468 C\n0.609733 0.419468 0.302770 C\n0.177090 0.992434 0.115502 C\n0.992434 0.115502 0.177090 C\n0.115502 0.177090 0.992434 C\n0.238727 0.870795 0.153987 C\n0.870795 0.153987 0.238727 C\n0.153987 0.238727 0.870795 C\n0.678611 0.699061 0.074181 C\n0.699061 0.074181 0.678611 C\n0.074181 0.678611 0.699061 C\n0.774702 0.803118 0.081762 C\n0.803118 0.081762 0.774702 C\n0.081762 0.774702 0.803118 C\n0.013477 0.494060 0.574856 C\n0.494060 0.574856 0.013477 C\n0.574856 0.013477 0.494060 C\n0.917659 0.389712 0.582394 C\n0.389712 0.582394 0.917659 C\n0.582394 0.917659 0.389712 C\n0.677368 0.991924 0.576559 C\n0.991924 0.576559 0.677368 C\n0.576559 0.677368 0.991924 C\n0.740078 0.871227 0.536629 C\n0.871227 0.536629 0.740078 C\n0.536629 0.740078 0.871227 C\n0.014217 0.198729 0.075295 C\n0.198729 0.075295 0.014217 C\n0.075295 0.014217 0.198729 C\n0.918545 0.302820 0.083814 C\n0.302820 0.083814 0.918545 C\n0.083814 0.918545 0.302820 C\n0.516075 0.492400 0.115065 C\n0.492400 0.115065 0.516075 C\n0.115065 0.516075 0.492400 C\n0.453319 0.371591 0.154348 C\n0.371591 0.154348 0.453319 C\n0.154348 0.453319 0.371591 C\n0.175952 0.701123 0.616058 C\n0.701123 0.616058 0.175952 C\n0.616058 0.175952 0.701123 C\n0.237728 0.822687 0.655337 C\n0.822687 0.655337 0.237728 C\n0.655337 0.237728 0.822687 C\n0.332811 0.268018 0.513042 O\n0.268018 0.513042 0.332811 O\n0.513042 0.332811 0.268018 O\n0.411874 0.403792 0.663497 O\n0.403792 0.663497 0.411874 O\n0.663497 0.411874 0.403792 O\n0.317796 0.806314 0.101815 O\n0.806314 0.101815 0.317796 O\n0.101815 0.317796 0.806314 O\n0.861782 0.768303 0.178026 O\n0.768303 0.178026 0.861782 O\n0.178026 0.861782 0.768303 O\n0.782176 0.903821 0.027891 O\n0.903821 0.027891 0.782176 O\n0.027891 0.782176 0.903821 O\n0.832273 0.423126 0.679991 O\n0.423126 0.679991 0.832273 O\n0.679991 0.832273 0.423126 O\n0.909378 0.289786 0.526691 O\n0.289786 0.526691 0.909378 O\n0.526691 0.909378 0.289786 O\n0.821746 0.808456 0.586565 O\n0.808456 0.586565 0.821746 O\n0.586565 0.821746 0.808456 O\n0.832497 0.268061 0.180610 O\n0.268061 0.180610 0.832497 O\n0.180610 0.832497 0.268061 O\n0.909864 0.402838 0.028826 O\n0.402838 0.028826 0.909864 O\n0.028826 0.909864 0.402838 O\n0.370937 0.308814 0.104908 O\n0.308814 0.104908 0.370937 O\n0.104908 0.370937 0.308814 O\n0.319457 0.885708 0.605290 O\n0.885708 0.605290 0.319457 O\n0.605290 0.319457 0.885708 O\n","nsites":84,"nelements":2,"elements":["C","O"],"chemical_system":"C-O","density":1.655879043528273,"density_atomic":0.07268099748623257,"volume":1155.7353765805362,"volume_molar":8.285715617951901,"formula_full":"C48 O36","formula_reduced":"C4O3","formula_anonymous":"A3B4","energy":-696.7543307599999,"energy_per_atom":-8.294694413809523,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-672.02233076,"band_gap":2.4613,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002161,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.853000Z","spacegroup":146},{"id":"mp-1001581","created_at":"2022-09-04T14:45:55.790727Z","structure_string":"Li1 C6\n1.0\n2.161647 -3.744082 0.000000\n2.161647 3.744082 0.000000\n0.000000 0.000000 3.745368\nLi C\n1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.333550 0.500000 C\n0.666450 0.666450 0.500000 C\n0.333550 0.000000 0.500000 C\n0.000000 0.666450 0.500000 C\n0.333550 0.333550 0.500000 C\n0.666450 0.000000 0.500000 C\n","nsites":7,"nelements":2,"elements":["Li","C"],"chemical_system":"C-Li","density":2.1639646240604624,"density_atomic":0.11546315557937004,"volume":60.62540006702103,"volume_molar":5.215638469070201,"formula_full":"Li1 C6","formula_reduced":"LiC6","formula_anonymous":"AB6","energy":-57.29369405,"energy_per_atom":-8.184813435714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.29369405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003335,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.877000Z","spacegroup":191},{"id":"mp-1001571","created_at":"2022-09-04T14:42:27.220039Z","structure_string":"Ca1 Fe1 O3\n1.0\n3.836610 0.000000 0.000000\n0.000000 3.836610 0.000000\n0.000000 0.000000 3.836610\nCa Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ca","Fe","O"],"chemical_system":"Ca-Fe-O","density":4.231856237217894,"density_atomic":0.08853745641857186,"volume":56.47327359803378,"volume_molar":6.801800055707021,"formula_full":"Ca1 Fe1 O3","formula_reduced":"CaFeO3","formula_anonymous":"ABC3","energy":-36.201363,"energy_per_atom":-7.2402726,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.884363,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0602088,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.037000Z","spacegroup":221},{"id":"mp-10015","created_at":"2022-09-04T14:41:55.573069Z","structure_string":"Si1 Os1\n1.0\n2.959287 0.000000 0.000000\n0.000000 2.959287 0.000000\n0.000000 0.000000 2.959287\nSi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Os\n","nsites":2,"nelements":2,"elements":["Si","Os"],"chemical_system":"Os-Si","density":13.988540657606537,"density_atomic":0.07717359591618682,"volume":25.915599451554247,"volume_molar":7.803369388851925,"formula_full":"Si1 Os1","formula_reduced":"SiOs","formula_anonymous":"AB","energy":-17.255348079999997,"energy_per_atom":-8.627674039999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.32634808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002292,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.453000Z","spacegroup":221},{"id":"mp-10014","created_at":"2022-09-04T14:42:51.145105Z","structure_string":"Ta1 S2\n1.0\n6.889292 -1.671874 0.000000\n6.889292 1.671874 0.000000\n6.483567 0.000000 2.867206\nTa S\n1 2\ndirect\n0.833235 0.833235 0.833235 Ta\n0.423529 0.423529 0.423529 S\n0.576236 0.576236 0.576236 S\n","nsites":3,"nelements":2,"elements":["Ta","S"],"chemical_system":"S-Ta","density":6.161496177825025,"density_atomic":0.04542074211824477,"volume":66.04911897278203,"volume_molar":13.258569717602667,"formula_full":"Ta1 S2","formula_reduced":"TaS2","formula_anonymous":"AB2","energy":-24.281337300000004,"energy_per_atom":-8.0937791,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.2753373,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2011227,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.849000Z","spacegroup":160}]}