{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10228","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10226","results":[{"id":"mp-1216241","created_at":"2022-09-04T14:45:31.422672Z","structure_string":"V1 Re1 Mo1\n1.0\n0.000000 2.221454 6.494238\n1.543467 0.000000 6.494238\n1.543467 2.221454 0.000000\nV Re Mo\n1 1 1\ndirect\n0.668301 0.668301 0.331699 V\n0.329043 0.329043 0.670957 Re\n0.002657 0.002657 0.997343 Mo\n","nsites":3,"nelements":3,"elements":["V","Re","Mo"],"chemical_system":"Mo-Re-V","density":12.41983616283511,"density_atomic":0.06736408037015257,"volume":44.53411942262971,"volume_molar":8.939691192857534,"formula_full":"V1 Re1 Mo1","formula_reduced":"VReMo","formula_anonymous":"ABC","energy":-32.74784628,"energy_per_atom":-10.91594876,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.74784628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038591,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.546000Z","spacegroup":42},{"id":"mp-1113481","created_at":"2022-09-04T14:41:13.746448Z","structure_string":"Cs2 In1 Cu1 Br6\n1.0\n0.000000 5.467702 5.467702\n5.467702 0.000000 5.467702\n5.467702 5.467702 0.000000\nCs In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745872 0.254128 0.254128 Br\n0.254128 0.254128 0.745872 Br\n0.254128 0.745872 0.745872 Br\n0.254128 0.745872 0.254128 Br\n0.745872 0.254128 0.745872 Br\n0.745872 0.745872 0.254128 Br\n","nsites":10,"nelements":4,"elements":["Cs","In","Cu","Br"],"chemical_system":"Br-Cs-Cu-In","density":4.691243768717036,"density_atomic":0.03058831080051562,"volume":326.9222699225167,"volume_molar":19.687719270521097,"formula_full":"Cs2 In1 Cu1 Br6","formula_reduced":"Cs2InCuBr6","formula_anonymous":"ABC2D6","energy":-32.74735985,"energy_per_atom":-3.2747359850000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.54335985,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012125,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.174000Z","spacegroup":225},{"id":"mp-1224820","created_at":"2022-09-04T14:45:11.344875Z","structure_string":"Ga2 Ag2 Se2 S2\n1.0\n4.197204 4.196721 0.000000\n-4.197204 4.196721 0.000000\n0.000000 4.123330 5.421675\nGa Ag Se S\n2 2 2 2\ndirect\n0.252533 0.486987 0.499714 Ga\n0.486987 0.252533 0.999714 Ga\n0.751699 0.016109 0.500374 Ag\n0.016109 0.751699 0.000374 Ag\n0.874837 0.592489 0.749502 Se\n0.592489 0.874837 0.249502 Se\n0.373857 0.161489 0.750410 S\n0.161489 0.373857 0.250410 S\n","nsites":8,"nelements":4,"elements":["Ga","Ag","Se","S"],"chemical_system":"Ag-Ga-S-Se","density":5.018410061321145,"density_atomic":0.04188478926840571,"volume":191.00012533749364,"volume_molar":14.377870499500366,"formula_full":"Ga2 Ag2 Se2 S2","formula_reduced":"GaAgSeS","formula_anonymous":"ABCD","energy":-32.744242310000004,"energy_per_atom":-4.0930302887500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.79424231,"band_gap":0.6068999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010867,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.171000Z","spacegroup":9},{"id":"mp-1147769","created_at":"2022-09-04T14:40:26.052804Z","structure_string":"Cu2 Ge1 S4\n1.0\n-2.654374 2.654374 4.983180\n2.654374 -2.654374 4.983180\n2.654374 2.654374 -4.983180\nCu Ge S\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.876177 0.876177 0.507638 S\n0.123823 0.631461 0.000000 S\n0.368539 0.368539 0.492362 S\n0.631461 0.123823 0.000000 S\n","nsites":7,"nelements":3,"elements":["Cu","Ge","S"],"chemical_system":"Cu-Ge-S","density":3.8781227651064882,"density_atomic":0.049843352364910665,"volume":140.43999185191134,"volume_molar":12.082134275220904,"formula_full":"Cu2 Ge1 S4","formula_reduced":"Cu2GeS4","formula_anonymous":"AB2C4","energy":-32.73635007,"energy_per_atom":-4.676621438571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.724350070000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0165483,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.416000Z","spacegroup":121},{"id":"mp-1112627","created_at":"2022-09-04T14:45:18.621519Z","structure_string":"Cs2 In1 Ga1 Br6\n1.0\n0.000000 5.723917 5.723917\n5.723917 0.000000 5.723917\n5.723917 5.723917 0.000000\nCs In Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.738933 0.261067 0.261067 Br\n0.261067 0.261067 0.738933 Br\n0.261067 0.738933 0.738933 Br\n0.261067 0.738933 0.261067 Br\n0.738933 0.261067 0.738933 Br\n0.738933 0.738933 0.261067 Br\n","nsites":10,"nelements":4,"elements":["Cs","In","Ga","Br"],"chemical_system":"Br-Cs-Ga-In","density":4.1163984471463495,"density_atomic":0.02666183408304356,"volume":375.06797052494665,"volume_molar":22.587121130687596,"formula_full":"Cs2 In1 Ga1 Br6","formula_reduced":"Cs2InGaBr6","formula_anonymous":"ABC2D6","energy":-32.73534675,"energy_per_atom":-3.2735346749999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.531346750000004,"band_gap":1.244,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001025,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.126000Z","spacegroup":225},{"id":"mp-3148","created_at":"2022-09-04T14:47:17.890656Z","structure_string":"Dy1 Si2 Pt2\n1.0\n-2.097093 2.097093 4.935223\n2.097093 -2.097093 4.935223\n2.097093 2.097093 -4.935223\nDy Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.617659 0.617659 0.000000 Si\n0.382341 0.382341 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n","nsites":5,"nelements":3,"elements":["Dy","Si","Pt"],"chemical_system":"Dy-Pt-Si","density":11.645265855356287,"density_atomic":0.0575927545646818,"volume":86.81647609656444,"volume_molar":10.45642078681373,"formula_full":"Dy1 Si2 Pt2","formula_reduced":"Dy(SiPt)2","formula_anonymous":"AB2C2","energy":-32.73451207,"energy_per_atom":-6.546902414,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.73451207,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000977,"is_theoretical":false,"updated_at":"2021-11-28T01:38:04.443000Z","spacegroup":139},{"id":"mp-1220324","created_at":"2022-09-04T14:40:52.556513Z","structure_string":"Nd1 Si2 Pt2\n1.0\n-2.158366 2.158366 4.966506\n2.158366 -2.158366 4.966506\n2.158366 2.158366 -4.966506\nNd Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.637538 0.637538 0.000000 Pt\n0.362462 0.362462 0.000000 Pt\n","nsites":5,"nelements":3,"elements":["Nd","Si","Pt"],"chemical_system":"Nd-Pt-Si","density":10.596621701596188,"density_atomic":0.0540267528836314,"volume":92.54674273631686,"volume_molar":11.146590232752153,"formula_full":"Nd1 Si2 Pt2","formula_reduced":"Nd(SiPt)2","formula_anonymous":"AB2C2","energy":-32.7339159,"energy_per_atom":-6.54678318,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.8759159,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0100565,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.677000Z","spacegroup":139},{"id":"mp-1028003","created_at":"2022-09-04T14:42:07.301925Z","structure_string":"Mg14 Nb1 Zn1\n1.0\n6.322569 0.023584 0.000000\n-3.140860 5.440128 0.000000\n0.000000 0.000000 10.000086\nMg Nb Zn\n14 1 1\ndirect\n0.166932 0.333466 0.625000 Mg\n0.166833 0.833416 0.625000 Mg\n0.665010 0.335972 0.125000 Mg\n0.665959 0.333064 0.625000 Mg\n0.665010 0.829037 0.125000 Mg\n0.665959 0.832894 0.625000 Mg\n0.327649 0.160649 0.366631 Mg\n0.327649 0.160649 0.883369 Mg\n0.327649 0.667001 0.366631 Mg\n0.327649 0.667001 0.883369 Mg\n0.837693 0.168847 0.369685 Mg\n0.837693 0.168847 0.880315 Mg\n0.842406 0.671203 0.371107 Mg\n0.842406 0.671203 0.878893 Mg\n0.163530 0.831764 0.125000 Nb\n0.169971 0.334985 0.125000 Zn\n","nsites":16,"nelements":3,"elements":["Mg","Nb","Zn"],"chemical_system":"Mg-Nb-Zn","density":2.4018612684580014,"density_atomic":0.046417234776181523,"volume":344.6995513013674,"volume_molar":12.973932611535474,"formula_full":"Mg14 Nb1 Zn1","formula_reduced":"Mg14NbZn","formula_anonymous":"ABC14","energy":-32.73230616,"energy_per_atom":-2.045769135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.73230616,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.840000Z","spacegroup":38},{"id":"mp-1207083","created_at":"2022-09-04T14:41:32.445047Z","structure_string":"Fe1 Sn1 O3\n1.0\n4.025780 0.000000 0.000000\n0.000000 4.025780 0.000000\n0.000000 0.000000 4.025780\nFe Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Sn\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":["Fe","Sn","O"],"chemical_system":"Fe-O-Sn","density":5.664124969489379,"density_atomic":0.07663371692764581,"volume":65.24543243440456,"volume_molar":7.858343561341076,"formula_full":"Fe1 Sn1 O3","formula_reduced":"FeSnO3","formula_anonymous":"ABC3","energy":-32.73184082,"energy_per_atom":-6.546368164,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.41484082,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9993122,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.560000Z","spacegroup":221},{"id":"mp-20119","created_at":"2022-09-04T14:44:50.078377Z","structure_string":"Pt2 O4\n1.0\n4.483783 0.000000 0.000000\n0.000000 4.483783 0.000000\n0.000000 0.000000 4.483783\nPt O\n2 4\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.750000 0.250000 O\n","nsites":6,"nelements":2,"elements":["Pt","O"],"chemical_system":"O-Pt","density":8.36622568046456,"density_atomic":0.06656064047355702,"volume":90.14336336477501,"volume_molar":9.047600379375039,"formula_full":"Pt2 O4","formula_reduced":"PtO2","formula_anonymous":"AB2","energy":-32.73171167,"energy_per_atom":-5.455285278333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.983711670000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2764453,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.652000Z","spacegroup":224},{"id":"mp-867107","created_at":"2022-09-04T14:44:21.433884Z","structure_string":"Be1 Si1 Os2\n1.0\n0.000000 2.886222 2.886222\n2.886222 0.000000 2.886222\n2.886222 2.886222 0.000000\nBe Si Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n","nsites":4,"nelements":3,"elements":["Be","Si","Os"],"chemical_system":"Be-Os-Si","density":14.419373175751833,"density_atomic":0.08318419103146017,"volume":48.08605998809563,"volume_molar":7.239525546052895,"formula_full":"Be1 Si1 Os2","formula_reduced":"BeSiOs2","formula_anonymous":"ABC2","energy":-32.73120951,"energy_per_atom":-8.1828023775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.80220951,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004586,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.015000Z","spacegroup":225},{"id":"mp-1224845","created_at":"2022-09-04T14:42:15.817027Z","structure_string":"Ga2 Ag2 Se2 S2\n1.0\n-2.935129 2.988190 5.464828\n2.935129 -2.988190 5.464828\n2.935129 2.988190 -5.464828\nGa Ag Se S\n2 2 2 2\ndirect\n0.131513 0.381513 0.750000 Ga\n0.368487 0.118487 0.250000 Ga\n0.633866 0.883866 0.750000 Ag\n0.866134 0.616134 0.250000 Ag\n0.250000 0.030155 0.780155 Se\n0.750000 0.469845 0.719845 Se\n0.459988 0.750000 0.209988 S\n0.040012 0.250000 0.290012 S\n","nsites":8,"nelements":4,"elements":["Ga","Ag","Se","S"],"chemical_system":"Ag-Ga-S-Se","density":4.999515362109433,"density_atomic":0.04172708982075154,"volume":191.7219732879975,"volume_molar":14.432208874066013,"formula_full":"Ga2 Ag2 Se2 S2","formula_reduced":"GaAgSeS","formula_anonymous":"ABCD","energy":-32.72970943,"energy_per_atom":-4.09121367875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.77970943,"band_gap":0.6333,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002579,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.160000Z","spacegroup":24}]}