{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10175","results":[{"id":"mp-1187","created_at":"2022-09-04T14:39:24.056152Z","structure_string":"Th2 Ir4\n1.0\n0.000000 3.857827 3.857827\n3.857827 0.000000 3.857827\n3.857827 3.857827 0.000000\nTh Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.625000 0.625000 0.625000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n","nsites":6,"nelements":2,"elements":["Th","Ir"],"chemical_system":"Ir-Th","density":17.82929828099463,"density_atomic":0.05225080789741582,"volume":114.83076035455413,"volume_molar":11.52545004054921,"formula_full":"Th2 Ir4","formula_reduced":"ThIr2","formula_anonymous":"AB2","energy":-55.18109661,"energy_per_atom":-9.196849434999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.18109661,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018641,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.638000Z","spacegroup":227},{"id":"mp-1219747","created_at":"2022-09-04T14:39:27.151910Z","structure_string":"Pr2 Sb2 Pd2\n1.0\n2.498375 -4.327312 0.000000\n2.498375 4.327312 0.000000\n0.000000 0.000000 7.064741\nPr Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.272507 Pr\n0.000000 0.000000 0.727493 Pr\n0.333333 0.666667 0.960463 Sb\n0.666667 0.333333 0.039537 Sb\n0.666667 0.333333 0.451325 Pd\n0.333333 0.666667 0.548675 Pd\n","nsites":6,"nelements":3,"elements":["Pr","Sb","Pd"],"chemical_system":"Pd-Pr-Sb","density":8.024288445370692,"density_atomic":0.039277982777448726,"volume":152.75733568081486,"volume_molar":15.33210295987396,"formula_full":"Pr2 Sb2 Pd2","formula_reduced":"PrSbPd","formula_anonymous":"ABC","energy":-31.295411980000004,"energy_per_atom":-5.215901996666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.295411980000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.64e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.682000Z","spacegroup":164},{"id":"mp-1225039","created_at":"2022-09-04T14:39:22.234336Z","structure_string":"Dy1 Y1 C4\n1.0\n-1.834953 -1.834953 -3.107685\n1.834953 1.834953 -3.107685\n3.676146 -3.676146 0.000000\nDy Y C\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n0.395226 0.395226 0.000000 C\n0.895128 0.895128 0.500000 C\n0.104872 0.104872 0.500000 C\n0.604774 0.604774 0.000000 C\n","nsites":6,"nelements":3,"elements":["Dy","Y","C"],"chemical_system":"C-Dy-Y","density":5.930028463877387,"density_atomic":0.07155443739542787,"volume":83.85224199084239,"volume_molar":8.416166738507258,"formula_full":"Dy1 Y1 C4","formula_reduced":"DyYC4","formula_anonymous":"ABC4","energy":-49.12059245,"energy_per_atom":-8.186765408333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.12059245,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.733000Z","spacegroup":65},{"id":"mp-1038899","created_at":"2022-09-04T14:39:20.155152Z","structure_string":"Mg4 Bi2\n1.0\n1.683745 6.035169 0.000000\n-1.683745 6.035169 0.000000\n0.000000 1.452385 7.711491\nMg Bi\n4 2\ndirect\n0.998854 0.998854 0.999216 Mg\n0.340279 0.340279 0.327437 Mg\n0.662202 0.662202 0.671496 Mg\n0.277164 0.277164 0.944970 Mg\n0.628371 0.628371 0.255281 Bi\n0.926463 0.926463 0.634933 Bi\n","nsites":6,"nelements":2,"elements":["Mg","Bi"],"chemical_system":"Bi-Mg","density":5.458516907972793,"density_atomic":0.0382839855507177,"volume":156.7234945288375,"volume_molar":15.730182407529155,"formula_full":"Mg4 Bi2","formula_reduced":"Mg2Bi","formula_anonymous":"AB2","energy":-14.07817084,"energy_per_atom":-2.3463618066666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.07817084,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059504,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.269000Z","spacegroup":8},{"id":"mp-1226518","created_at":"2022-09-04T14:39:19.325280Z","structure_string":"Ce1 Nd1 Al4\n1.0\n0.000000 3.984888 3.984888\n3.984888 0.000000 3.984888\n3.984888 3.984888 0.000000\nCe Nd Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Nd\n0.624369 0.624369 0.126894 Al\n0.624369 0.126894 0.624369 Al\n0.126894 0.624369 0.624369 Al\n0.624369 0.624369 0.624369 Al\n","nsites":6,"nelements":3,"elements":["Ce","Nd","Al"],"chemical_system":"Al-Ce-Nd","density":5.1472055178630525,"density_atomic":0.04741032103222566,"volume":126.55472203872425,"volume_molar":12.702172499331194,"formula_full":"Ce1 Nd1 Al4","formula_reduced":"CeNdAl4","formula_anonymous":"ABC4","energy":-28.45684723,"energy_per_atom":-4.742807871666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.45684723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5503692,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.516000Z","spacegroup":216},{"id":"mp-1224937","created_at":"2022-09-04T14:39:23.971466Z","structure_string":"Gd1 Y1 Co4\n1.0\n0.000000 3.660333 3.660333\n3.660333 0.000000 3.660333\n3.660333 3.660333 0.000000\nGd Y Co\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Gd\n0.250000 0.250000 0.250000 Y\n0.874993 0.874993 0.375021 Co\n0.874993 0.375021 0.874993 Co\n0.375021 0.874993 0.874993 Co\n0.874993 0.874993 0.874993 Co\n","nsites":6,"nelements":3,"elements":["Gd","Y","Co"],"chemical_system":"Co-Gd-Y","density":8.158381115832126,"density_atomic":0.061172955423636606,"volume":98.0825588439963,"volume_molar":9.844449590992143,"formula_full":"Gd1 Y1 Co4","formula_reduced":"GdYCo4","formula_anonymous":"ABC4","energy":-49.84059497,"energy_per_atom":-8.306765828333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.84059497,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.7588672,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.015000Z","spacegroup":216},{"id":"mp-1227358","created_at":"2022-09-04T14:39:26.933536Z","structure_string":"Be2 P4\n1.0\n-1.604726 1.972813 7.660544\n1.604726 -1.972813 7.660544\n1.604726 1.972813 -7.660544\nBe P\n2 4\ndirect\n0.052753 0.802753 0.250000 Be\n0.947247 0.197247 0.750000 Be\n0.383867 0.133867 0.250000 P\n0.616133 0.866133 0.750000 P\n0.716484 0.466484 0.250000 P\n0.283516 0.533516 0.750000 P\n","nsites":6,"nelements":2,"elements":["Be","P"],"chemical_system":"Be-P","density":2.429318668711429,"density_atomic":0.06185073108504034,"volume":97.0077458219601,"volume_molar":9.736571669169095,"formula_full":"Be2 P4","formula_reduced":"BeP2","formula_anonymous":"AB2","energy":-27.68816101,"energy_per_atom":-4.614693501666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.68816101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008801,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.963000Z","spacegroup":74},{"id":"mp-1094164","created_at":"2022-09-04T14:39:27.095198Z","structure_string":"La3 Mg3\n1.0\n3.034822 5.262531 0.000000\n-3.034822 5.262531 0.000000\n0.000000 3.530267 5.752033\nLa Mg\n3 3\ndirect\n0.997378 0.319069 0.007560 La\n0.680931 0.002622 0.992440 La\n0.485499 0.514501 0.500000 La\n0.334721 0.665279 0.000000 Mg\n0.169492 0.168022 0.501143 Mg\n0.831978 0.830508 0.498857 Mg\n","nsites":6,"nelements":2,"elements":["La","Mg"],"chemical_system":"La-Mg","density":4.425263260540478,"density_atomic":0.03265667731272489,"volume":183.72965328172134,"volume_molar":18.440763897475364,"formula_full":"La3 Mg3","formula_reduced":"LaMg","formula_anonymous":"AB","energy":-19.69772974,"energy_per_atom":-3.2829549566666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.69772974,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7244089,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.609000Z","spacegroup":5},{"id":"mp-1018681","created_at":"2022-09-04T14:39:22.782294Z","structure_string":"Dy2 Zn2 In2\n1.0\n2.340029 -4.053050 0.000000\n2.340029 4.053050 0.000000\n0.000000 0.000000 7.260083\nDy Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n","nsites":6,"nelements":3,"elements":["Dy","Zn","In"],"chemical_system":"Dy-In-Zn","density":8.265185975650072,"density_atomic":0.04356888722231706,"volume":137.71295028454736,"volume_molar":13.822112851473772,"formula_full":"Dy2 Zn2 In2","formula_reduced":"DyZnIn","formula_anonymous":"ABC","energy":-19.8297501,"energy_per_atom":-3.3049583499999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.8297501,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001059,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.921000Z","spacegroup":194},{"id":"mp-1042127","created_at":"2022-09-04T14:39:27.382531Z","structure_string":"Bi2 S4\n1.0\n-3.356814 3.356814 5.001090\n3.356814 -3.356814 5.001090\n3.356814 3.356814 -5.001090\nBi S\n2 4\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 Bi\n0.641130 0.625000 0.516130 S\n0.375000 0.891130 0.016130 S\n0.108870 0.125000 0.483870 S\n0.875000 0.358870 0.983870 S\n","nsites":6,"nelements":2,"elements":["Bi","S"],"chemical_system":"Bi-S","density":4.023816010342321,"density_atomic":0.02661779238175895,"volume":225.41313396492538,"volume_molar":22.624493698158627,"formula_full":"Bi2 S4","formula_reduced":"BiS2","formula_anonymous":"AB2","energy":-25.23638756,"energy_per_atom":-4.206064593333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.22438756,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999284,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.423000Z","spacegroup":122},{"id":"mp-1245615","created_at":"2022-09-04T14:39:26.659087Z","structure_string":"Nb2 Te2 N2\n1.0\n3.584273 0.000000 0.000000\n0.000000 3.584273 0.000000\n0.000000 0.000000 9.546104\nNb Te N\n2 2 2\ndirect\n0.500000 0.000000 0.114375 Nb\n0.000000 0.500000 0.885625 Nb\n0.500000 0.000000 0.698627 Te\n0.000000 0.500000 0.301373 Te\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n","nsites":6,"nelements":3,"elements":["Nb","Te","N"],"chemical_system":"N-Nb-Te","density":6.350645062537233,"density_atomic":0.04892410926070482,"volume":122.63892160054344,"volume_molar":12.309147475551285,"formula_full":"Nb2 Te2 N2","formula_reduced":"NbTeN","formula_anonymous":"ABC","energy":-47.74789401,"energy_per_atom":-7.9579823350000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.18189401,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2189756,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.102000Z","spacegroup":129},{"id":"mp-4561","created_at":"2022-09-04T14:39:22.700288Z","structure_string":"U1 Al3 Pd2\n1.0\n2.692115 -4.662881 0.000000\n2.692115 4.662881 0.000000\n0.000000 0.000000 4.239652\nU Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["U","Al","Pd"],"chemical_system":"Al-Pd-U","density":8.296603403902926,"density_atomic":0.05636936007256191,"volume":106.4408038742404,"volume_molar":10.683358392303816,"formula_full":"U1 Al3 Pd2","formula_reduced":"UAl3Pd2","formula_anonymous":"AB2C3","energy":-36.36476907,"energy_per_atom":-6.060794845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.36476907,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2050571,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.229000Z","spacegroup":191}]}