{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=12133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=12131","results":[{"id":"mp-999200","created_at":"2022-09-04T14:44:20.302036Z","structure_string":"Si4\n1.0\n-3.345046 3.345046 1.931045\n3.345046 -3.345046 1.931045\n3.345046 3.345046 -1.931045\nSi\n4\ndirect\n0.178625 0.178625 0.357251 Si\n0.821375 0.821375 0.642749 Si\n0.821375 0.178625 0.000000 Si\n0.178625 0.821375 0.000000 Si\n","nsites":4,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.1584136263449913,"density_atomic":0.046281072726650795,"volume":86.42842017999756,"volume_molar":13.012102799709247,"formula_full":"Si4","formula_reduced":"Si","formula_anonymous":"A","energy":-21.28886658,"energy_per_atom":-5.322216645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.28886658,"band_gap":0.4397999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.88e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.744000Z","spacegroup":139},{"id":"mp-998864","created_at":"2022-09-04T14:44:20.031647Z","structure_string":"Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n","nsites":1,"nelements":1,"elements":["Br"],"chemical_system":"Br","density":3.423121443241446,"density_atomic":0.025799107900603573,"volume":38.76103018184613,"volume_molar":23.342437975768583,"formula_full":"Br1","formula_reduced":"Br","formula_anonymous":"A","energy":-1.55302833,"energy_per_atom":-1.55302833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.55302833,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.553000Z","spacegroup":71},{"id":"mp-112","created_at":"2022-09-04T14:44:20.558165Z","structure_string":"Y2\n1.0\n1.829494 -3.168776 0.000000\n1.829494 3.168776 0.000000\n0.000000 0.000000 5.665965\nY\n2\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n","nsites":2,"nelements":1,"elements":["Y"],"chemical_system":"Y","density":4.494516911194183,"density_atomic":0.03044413106310264,"volume":65.69410688235865,"volume_molar":19.78095793740243,"formula_full":"Y2","formula_reduced":"Y","formula_anonymous":"A","energy":-12.92584295,"energy_per_atom":-6.462921475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.92584295,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7334585,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.344000Z","spacegroup":194},{"id":"mp-569360","created_at":"2022-09-04T14:44:16.189188Z","structure_string":"Hg3\n1.0\n1.816347 3.070770 0.000000\n-1.816347 3.070770 0.000000\n0.000000 2.508967 8.445120\nHg\n3\ndirect\n0.235213 0.235213 0.336313 Hg\n0.764787 0.764787 0.663687 Hg\n0.000000 0.000000 0.000000 Hg\n","nsites":3,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.60712531751696,"density_atomic":0.03184485853887111,"volume":94.20673030586961,"volume_molar":18.910873014710155,"formula_full":"Hg3","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.90721715,"energy_per_atom":-0.30240571666666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.90721715,"band_gap":0.0967,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024097,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.250000Z","spacegroup":12},{"id":"mp-90","created_at":"2022-09-04T14:44:19.817111Z","structure_string":"Cr2\n1.0\n-1.173244 2.032119 1.659521\n-1.173530 -2.032119 1.659319\n2.346632 0.000247 1.659320\nCr\n2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n","nsites":2,"nelements":1,"elements":["Cr"],"chemical_system":"Cr","density":7.274080970886649,"density_atomic":0.08424774073719975,"volume":23.73950900640468,"volume_molar":7.148133240492837,"formula_full":"Cr2","formula_reduced":"Cr","formula_anonymous":"A","energy":-19.30609494,"energy_per_atom":-9.65304747,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.30609494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.493000Z","spacegroup":229},{"id":"mp-1221597","created_at":"2022-09-04T14:44:20.720634Z","structure_string":"Na6\n1.0\n-5.961352 0.000000 -5.961352\n5.961352 -5.961352 0.000000\n-5.961352 -5.961352 0.000000\nNa\n6\ndirect\n0.500000 0.250000 0.250000 Na\n0.500000 0.750000 0.750000 Na\n0.796385 0.398193 0.805422 Na\n0.203615 0.398193 0.398193 Na\n0.203615 0.805422 0.398193 Na\n0.796385 0.398193 0.398193 Na\n","nsites":6,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":0.5405933087459964,"density_atomic":0.01416077282315193,"volume":423.7056885899896,"volume_molar":42.526921625027384,"formula_full":"Na6","formula_reduced":"Na","formula_anonymous":"A","energy":-5.47045194,"energy_per_atom":-0.91174199,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.47045194,"band_gap":0.2698,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021229,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.157000Z","spacegroup":216},{"id":"mp-68","created_at":"2022-09-04T14:44:19.628212Z","structure_string":"Sm2\n1.0\n1.840855 -3.188455 0.000000\n1.840855 3.188455 0.000000\n0.000000 0.000000 5.850009\nSm\n2\ndirect\n0.333333 0.666667 0.250000 Sm\n0.666667 0.333333 0.750000 Sm\n","nsites":2,"nelements":1,"elements":["Sm"],"chemical_system":"Sm","density":7.271516716204516,"density_atomic":0.029123501741692925,"volume":68.67306060029242,"volume_molar":20.67794186774855,"formula_full":"Sm2","formula_reduced":"Sm","formula_anonymous":"A","energy":-9.39304241,"energy_per_atom":-4.696521205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.39304241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016447,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.012000Z","spacegroup":194},{"id":"mp-974620","created_at":"2022-09-04T14:41:56.812325Z","structure_string":"Rb8\n1.0\n9.004761 0.000000 0.000000\n0.000000 9.004761 0.000000\n0.000000 0.000000 9.004761\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250000 0.000000 Rb\n0.500000 0.750000 0.000000 Rb\n0.000000 0.500000 0.250000 Rb\n0.250000 0.000000 0.500000 Rb\n0.750000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750000 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.5549808254789264,"density_atomic":0.010956539671515114,"volume":730.1575351201852,"volume_molar":54.96389316835499,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-7.55309927,"energy_per_atom":-0.94413740875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.55309927,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.8378747,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.669000Z","spacegroup":223},{"id":"mp-1056831","created_at":"2022-09-04T14:42:05.634261Z","structure_string":"O1\n1.0\n1.520366 0.000000 0.000000\n0.000000 3.095662 0.000000\n0.000000 1.031631 4.600127\nO\n1\ndirect\n0.500000 0.000000 0.500000 O\n","nsites":1,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.227103760216571,"density_atomic":0.046187929382997074,"volume":21.65067829102824,"volume_molar":13.03834322180483,"formula_full":"O1","formula_reduced":"O","formula_anonymous":"A","energy":-3.63686277,"energy_per_atom":-3.63686277,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.63686277,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014534,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.778000Z","spacegroup":10},{"id":"mp-971661","created_at":"2022-09-04T14:41:59.933464Z","structure_string":"Si23\n1.0\n-5.050750 5.050750 5.050750\n5.050750 -5.050750 5.050750\n5.050750 5.050750 -5.050750\nSi\n23\ndirect\n0.830940 0.558540 0.558540 Si\n0.169060 0.727600 0.727600 Si\n0.000000 0.441460 0.272400 Si\n0.558540 0.558540 0.830940 Si\n0.000000 0.272400 0.441460 Si\n0.727600 0.727600 0.169060 Si\n0.441460 0.272400 0.000000 Si\n0.272400 0.441460 0.000000 Si\n0.558540 0.830940 0.558540 Si\n0.272400 0.000000 0.441460 Si\n0.441460 0.000000 0.272400 Si\n0.727600 0.169060 0.727600 Si\n0.000000 0.000000 0.000000 Si\n0.728740 0.728740 0.728740 Si\n0.271260 0.000000 0.000000 Si\n0.000000 0.271260 0.000000 Si\n0.000000 0.000000 0.271260 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.750000 0.500000 0.250000 Si\n0.250000 0.500000 0.750000 Si\n0.500000 0.250000 0.750000 Si\n0.500000 0.750000 0.250000 Si\n","nsites":23,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.081284666045754,"density_atomic":0.04462726041868057,"volume":515.3800565891875,"volume_molar":13.494309763812401,"formula_full":"Si23","formula_reduced":"Si","formula_anonymous":"A","energy":-122.90457683,"energy_per_atom":-5.343677253478261,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.90457683,"band_gap":1.3309000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003236,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.090000Z","spacegroup":217},{"id":"mp-10018","created_at":"2022-09-04T14:42:04.680859Z","structure_string":"Ac1\n1.0\n0.000000 2.831128 2.831128\n2.831128 0.000000 2.831128\n2.831128 2.831128 0.000000\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n","nsites":1,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.305512650126095,"density_atomic":0.022033905850354526,"volume":45.38459984315082,"volume_molar":27.331244859172816,"formula_full":"Ac1","formula_reduced":"Ac","formula_anonymous":"A","energy":-4.10076552,"energy_per_atom":-4.10076552,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.10076552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016823,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.982000Z","spacegroup":225},{"id":"mp-1058623","created_at":"2022-09-04T14:42:01.369682Z","structure_string":"O2\n1.0\n0.766099 -2.307710 0.000000\n0.766099 2.307710 0.000000\n0.000000 0.000000 5.701631\nO\n2\ndirect\n0.166302 0.833698 0.250000 O\n0.833698 0.166302 0.750000 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.635648916454226,"density_atomic":0.09920527503727601,"volume":20.16021828726857,"volume_molar":6.070383613912872,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","energy":-6.75460832,"energy_per_atom":-3.37730416,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.75460832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011178,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.355000Z","spacegroup":63}]}