{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=37","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=35","results":[{"id":"mp-1203633","created_at":"2022-09-04T14:41:14.824765Z","structure_string":"Sm12 Al86 Cr8\n1.0\n5.497796 -9.522462 0.000000\n5.497796 9.522462 0.000000\n0.000000 0.000000 17.677613\nSm Al Cr\n12 86 8\ndirect\n0.470530 0.470530 0.904527 Sm\n0.529470 0.000000 0.904527 Sm\n0.000000 0.529470 0.904527 Sm\n0.529470 0.529470 0.095473 Sm\n0.470530 0.000000 0.095473 Sm\n0.000000 0.470530 0.095473 Sm\n0.529470 0.529470 0.404527 Sm\n0.470530 0.000000 0.404527 Sm\n0.000000 0.470530 0.404527 Sm\n0.470530 0.470530 0.595473 Sm\n0.529470 0.000000 0.595473 Sm\n0.000000 0.529470 0.595473 Sm\n0.841913 0.231444 0.833446 Al\n0.768556 0.610469 0.833446 Al\n0.389531 0.158087 0.833446 Al\n0.231444 0.841913 0.833446 Al\n0.610469 0.768556 0.833446 Al\n0.158087 0.389531 0.833446 Al\n0.158087 0.768556 0.166554 Al\n0.231444 0.389531 0.166554 Al\n0.610469 0.841913 0.166554 Al\n0.768556 0.158087 0.166554 Al\n0.389531 0.231444 0.166554 Al\n0.841913 0.610469 0.166554 Al\n0.158087 0.768556 0.333446 Al\n0.231444 0.389531 0.333446 Al\n0.610469 0.841913 0.333446 Al\n0.768556 0.158087 0.333446 Al\n0.389531 0.231444 0.333446 Al\n0.841913 0.610469 0.333446 Al\n0.841913 0.231444 0.666554 Al\n0.768556 0.610469 0.666554 Al\n0.389531 0.158087 0.666554 Al\n0.231444 0.841913 0.666554 Al\n0.610469 0.768556 0.666554 Al\n0.158087 0.389531 0.666554 Al\n0.845211 0.845211 0.384256 Al\n0.154789 0.000000 0.384256 Al\n0.000000 0.154789 0.384256 Al\n0.154789 0.154789 0.615744 Al\n0.845211 0.000000 0.615744 Al\n0.000000 0.845211 0.615744 Al\n0.154789 0.154789 0.884256 Al\n0.845211 0.000000 0.884256 Al\n0.000000 0.845211 0.884256 Al\n0.845211 0.845211 0.115744 Al\n0.154789 0.000000 0.115744 Al\n0.000000 0.154789 0.115744 Al\n0.750799 0.750799 0.968897 Al\n0.249201 0.000000 0.968897 Al\n0.000000 0.249201 0.968897 Al\n0.249201 0.249201 0.031103 Al\n0.750799 0.000000 0.031103 Al\n0.000000 0.750799 0.031103 Al\n0.249201 0.249201 0.468897 Al\n0.750799 0.000000 0.468897 Al\n0.000000 0.750799 0.468897 Al\n0.750799 0.750799 0.531103 Al\n0.249201 0.000000 0.531103 Al\n0.000000 0.249201 0.531103 Al\n0.855637 0.453807 0.750000 Al\n0.546193 0.401830 0.750000 Al\n0.598170 0.144363 0.750000 Al\n0.453807 0.855637 0.750000 Al\n0.401830 0.546193 0.750000 Al\n0.144363 0.598170 0.750000 Al\n0.144363 0.546193 0.250000 Al\n0.453807 0.598170 0.250000 Al\n0.401830 0.855637 0.250000 Al\n0.546193 0.144363 0.250000 Al\n0.598170 0.453807 0.250000 Al\n0.855637 0.401830 0.250000 Al\n0.753033 0.246967 0.000000 Al\n0.753033 0.506067 0.000000 Al\n0.493933 0.246967 0.000000 Al\n0.246967 0.753033 0.000000 Al\n0.506067 0.753033 0.000000 Al\n0.246967 0.493933 0.000000 Al\n0.246967 0.753033 0.500000 Al\n0.246967 0.493933 0.500000 Al\n0.506067 0.753033 0.500000 Al\n0.753033 0.246967 0.500000 Al\n0.493933 0.246967 0.500000 Al\n0.753033 0.506067 0.500000 Al\n0.666667 0.333333 0.871566 Al\n0.333333 0.666667 0.871566 Al\n0.333333 0.666667 0.128434 Al\n0.666667 0.333333 0.128434 Al\n0.333333 0.666667 0.371566 Al\n0.666667 0.333333 0.371566 Al\n0.666667 0.333333 0.628434 Al\n0.333333 0.666667 0.628434 Al\n0.855327 0.855327 0.750000 Al\n0.144673 0.000000 0.750000 Al\n0.000000 0.144673 0.750000 Al\n0.144673 0.144673 0.250000 Al\n0.855327 0.000000 0.250000 Al\n0.000000 0.855327 0.250000 Al\n0.265816 0.265816 0.750000 Cr\n0.734184 0.000000 0.750000 Cr\n0.000000 0.734184 0.750000 Cr\n0.734184 0.734184 0.250000 Cr\n0.265816 0.000000 0.250000 Cr\n0.000000 0.265816 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n","nsites":106,"nelements":3,"elements":["Sm","Al","Cr"],"chemical_system":"Al-Cr-Sm","density":4.073620120046892,"density_atomic":0.05726831146928475,"volume":1850.9363604486919,"volume_molar":10.515659717381245,"formula_full":"Sm12 Al86 Cr8","formula_reduced":"Sm6Al43Cr4","formula_anonymous":"A4B6C43","energy":-483.51132387,"energy_per_atom":-4.5614275836792455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-483.51132387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2695354,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.833000Z","spacegroup":193},{"id":"mp-1234032","created_at":"2022-09-04T14:41:15.416644Z","structure_string":"Mg1 Fe8 O14 F2\n1.0\n4.821184 -0.022064 -0.016774\n-0.021860 4.839026 -0.012048\n-0.043004 -0.030394 11.825277\nMg Fe O F\n1 8 14 2\ndirect\n0.003560 0.496949 0.248764 Mg\n0.002711 0.995635 0.005872 Fe\n0.997684 0.995933 0.252780 Fe\n0.033533 0.020634 0.504659 Fe\n0.000522 0.988174 0.747793 Fe\n0.501319 0.496901 0.120693 Fe\n0.496601 0.486363 0.635100 Fe\n0.466456 0.523972 0.876800 Fe\n0.502199 0.490789 0.377898 Fe\n0.158090 0.778009 0.136045 O\n0.198941 0.801086 0.625495 O\n0.169585 0.813054 0.878575 O\n0.164626 0.778075 0.368149 O\n0.311009 0.307276 0.002038 O\n0.339919 0.286000 0.245996 O\n0.336211 0.304406 0.503464 O\n0.299284 0.307519 0.760244 O\n0.671727 0.697351 0.001976 O\n0.665284 0.705926 0.248329 O\n0.679655 0.689298 0.756909 O\n0.839908 0.215584 0.134862 O\n0.849951 0.223923 0.368648 O\n0.816502 0.191852 0.628175 O\n0.695979 0.709727 0.500855 F\n0.798742 0.195572 0.880994 F\n","nsites":25,"nelements":4,"elements":["Mg","Fe","O","F"],"chemical_system":"F-Fe-Mg-O","density":4.412442078096496,"density_atomic":0.09062213976101254,"volume":275.87077579418957,"volume_molar":6.645330573612041,"formula_full":"Mg1 Fe8 O14 F2","formula_reduced":"MgFe8(O7F)2","formula_anonymous":"AB2C8D14","energy":-182.06722836,"energy_per_atom":-7.2826891344,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.47722836,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0051226,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.376000Z","spacegroup":1},{"id":"mp-15957","created_at":"2022-09-04T14:41:14.828622Z","structure_string":"Sc30 C38\n1.0\n7.540170 0.000000 0.000000\n0.000000 7.540170 0.000000\n0.000000 0.000000 14.666417\nSc C\n30 38\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.333232 Sc\n0.000000 0.000000 0.666768 Sc\n0.500000 0.500000 0.166768 Sc\n0.500000 0.500000 0.833232 Sc\n0.598641 0.215949 0.646571 Sc\n0.401359 0.784051 0.646571 Sc\n0.284051 0.901359 0.146571 Sc\n0.784051 0.598641 0.353429 Sc\n0.215949 0.401359 0.353429 Sc\n0.901359 0.715949 0.853429 Sc\n0.098641 0.284051 0.853429 Sc\n0.715949 0.098641 0.146571 Sc\n0.784051 0.598641 0.646571 Sc\n0.215949 0.401359 0.646571 Sc\n0.901359 0.715949 0.146571 Sc\n0.401359 0.784051 0.353429 Sc\n0.598641 0.215949 0.353429 Sc\n0.715949 0.098641 0.853429 Sc\n0.284051 0.901359 0.853429 Sc\n0.098641 0.284051 0.146571 Sc\n0.703632 0.906519 0.500000 Sc\n0.296368 0.093481 0.500000 Sc\n0.593481 0.796368 0.000000 Sc\n0.093481 0.703632 0.500000 Sc\n0.906519 0.296368 0.500000 Sc\n0.796368 0.406519 0.000000 Sc\n0.203632 0.593481 0.000000 Sc\n0.406519 0.203632 0.000000 Sc\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.660965 C\n0.500000 0.500000 0.339035 C\n0.000000 0.000000 0.839035 C\n0.000000 0.000000 0.160965 C\n0.905152 0.303403 0.666626 C\n0.094848 0.696597 0.666626 C\n0.196597 0.594848 0.166626 C\n0.696597 0.905152 0.333374 C\n0.303403 0.094848 0.333374 C\n0.594848 0.803403 0.833374 C\n0.405152 0.196597 0.833374 C\n0.803403 0.405152 0.166626 C\n0.651175 0.848825 0.750000 C\n0.348825 0.151175 0.750000 C\n0.603647 0.197956 0.500000 C\n0.651175 0.848825 0.250000 C\n0.848825 0.348825 0.250000 C\n0.848825 0.348825 0.750000 C\n0.151175 0.651175 0.750000 C\n0.348825 0.151175 0.250000 C\n0.696597 0.905152 0.666626 C\n0.303403 0.094848 0.666626 C\n0.594848 0.803403 0.166626 C\n0.094848 0.696597 0.333374 C\n0.905152 0.303403 0.333374 C\n0.803403 0.405152 0.833374 C\n0.196597 0.594848 0.833374 C\n0.405152 0.196597 0.166626 C\n0.697956 0.103647 0.000000 C\n0.103647 0.302044 0.000000 C\n0.896353 0.697956 0.000000 C\n0.197956 0.396353 0.500000 C\n0.802044 0.603647 0.500000 C\n0.302044 0.896353 0.000000 C\n0.396353 0.802044 0.500000 C\n0.151175 0.651175 0.250000 C\n","nsites":68,"nelements":2,"elements":["Sc","C"],"chemical_system":"C-Sc","density":3.5946797125950116,"density_atomic":0.08154974526622155,"volume":833.8468719676805,"volume_molar":7.384622404816279,"formula_full":"Sc30 C38","formula_reduced":"Sc15C19","formula_anonymous":"A15B19","energy":-568.73238077,"energy_per_atom":-8.363711481911764,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-568.73238077,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0687005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.177000Z","spacegroup":128},{"id":"mp-1220090","created_at":"2022-09-04T14:41:15.421542Z","structure_string":"Ni3 Sb2 Te2\n1.0\n1.980474 6.158646 0.000000\n-1.980474 6.158646 0.000000\n0.000000 3.601004 5.700747\nNi Sb Te\n3 2 2\ndirect\n0.254020 0.254020 0.736756 Ni\n0.746070 0.746070 0.263379 Ni\n0.996480 0.996480 0.002733 Ni\n0.873023 0.873023 0.466651 Sb\n0.370151 0.370151 0.964614 Sb\n0.129540 0.129540 0.529218 Te\n0.627956 0.627956 0.036650 Te\n","nsites":7,"nelements":3,"elements":["Ni","Sb","Te"],"chemical_system":"Ni-Sb-Te","density":8.057645385082811,"density_atomic":0.05033636964531344,"volume":139.06445874671326,"volume_molar":11.963796361227434,"formula_full":"Ni3 Sb2 Te2","formula_reduced":"Ni3(SbTe)2","formula_anonymous":"A2B2C3","energy":-34.68254472,"energy_per_atom":-4.954649245714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.45454472,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002244,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.240000Z","spacegroup":8},{"id":"mp-2233","created_at":"2022-09-04T14:41:15.430433Z","structure_string":"Th4 Ag2\n1.0\n-3.796612 3.796612 2.946402\n3.796612 -3.796612 2.946402\n3.796612 3.796612 -2.946402\nTh Ag\n4 2\ndirect\n0.154112 0.654112 0.808224 Th\n0.845888 0.345888 0.191776 Th\n0.345888 0.154112 0.500000 Th\n0.654112 0.845888 0.500000 Th\n0.250000 0.250000 0.000000 Ag\n0.750000 0.750000 0.000000 Ag\n","nsites":6,"nelements":2,"elements":["Th","Ag"],"chemical_system":"Ag-Th","density":11.181200115973926,"density_atomic":0.03531887211716313,"volume":169.8808495383496,"volume_molar":17.050773139138705,"formula_full":"Th4 Ag2","formula_reduced":"Th2Ag","formula_anonymous":"AB2","energy":-35.72637366,"energy_per_atom":-5.95439561,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.72637366,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025052,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.489000Z","spacegroup":140},{"id":"mp-1206207","created_at":"2022-09-04T14:41:15.434057Z","structure_string":"Dy2 Cl2 O4\n1.0\n3.531123 0.000000 0.000000\n0.000000 6.411244 0.000000\n0.000000 2.699085 6.118828\nDy Cl O\n2 2 4\ndirect\n0.250000 0.345490 0.768728 Dy\n0.750000 0.654510 0.231272 Dy\n0.250000 0.993849 0.220105 Cl\n0.750000 0.006151 0.779895 Cl\n0.250000 0.445687 0.393463 O\n0.750000 0.554313 0.606537 O\n0.250000 0.557684 0.973620 O\n0.750000 0.442316 0.026380 O\n","nsites":8,"nelements":3,"elements":["Dy","Cl","O"],"chemical_system":"Cl-Dy-O","density":5.513057345515137,"density_atomic":0.057751941692332845,"volume":138.52348103928912,"volume_molar":10.427598767297377,"formula_full":"Dy2 Cl2 O4","formula_reduced":"DyClO2","formula_anonymous":"ABC2","energy":-49.88137563,"energy_per_atom":-6.23517195375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.13337563,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0118944,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.971000Z","spacegroup":11},{"id":"mp-1219583","created_at":"2022-09-04T14:41:15.437059Z","structure_string":"Sc2 V10 Ge10\n1.0\n0.000000 0.000000 -5.087245\n-0.003981 -7.771065 0.000000\n-8.268472 -3.889748 -2.543622\nSc V Ge\n2 10 10\ndirect\n0.357079 0.745313 0.285842 Sc\n0.642921 0.254687 0.714158 Sc\n0.063782 0.322452 0.872437 V\n0.936218 0.677548 0.127563 V\n0.435146 0.190065 0.129707 V\n0.564854 0.809935 0.870293 V\n0.942129 0.691140 0.618824 V\n0.560952 0.308860 0.381176 V\n0.057871 0.308860 0.381176 V\n0.439048 0.691140 0.618824 V\n0.144238 0.029932 0.711524 V\n0.855762 0.970068 0.288476 V\n0.434013 0.522095 0.131974 Ge\n0.565987 0.477905 0.868026 Ge\n0.067505 0.664855 0.864990 Ge\n0.932495 0.335145 0.135010 Ge\n0.246101 0.000000 0.000000 Ge\n0.753899 0.000000 0.000000 Ge\n0.210593 0.408456 0.578813 Ge\n0.789407 0.591544 0.421187 Ge\n0.286017 0.992313 0.427967 Ge\n0.713983 0.007687 0.572033 Ge\n","nsites":22,"nelements":3,"elements":["Sc","V","Ge"],"chemical_system":"Ge-Sc-V","density":6.736268064198475,"density_atomic":0.0673191929668407,"volume":326.80130331979024,"volume_molar":8.945652041560146,"formula_full":"Sc2 V10 Ge10","formula_reduced":"Sc(VGe)5","formula_anonymous":"AB5C5","energy":-159.05242278,"energy_per_atom":-7.229655580909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.05242278,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2741014,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.638000Z","spacegroup":12},{"id":"mp-1193170","created_at":"2022-09-04T14:41:14.623868Z","structure_string":"La2 Zn26\n1.0\n0.000000 6.114622 6.114622\n6.114622 0.000000 6.114622\n6.114622 6.114622 0.000000\nLa Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.800009 0.558422 0.199991 Zn\n0.199991 0.441578 0.800009 Zn\n0.558422 0.800009 0.441578 Zn\n0.441578 0.199991 0.558422 Zn\n0.300009 0.941578 0.699991 Zn\n0.699991 0.058422 0.300009 Zn\n0.941578 0.300009 0.058422 Zn\n0.058422 0.699991 0.941578 Zn\n0.199991 0.800009 0.558422 Zn\n0.800009 0.199991 0.441578 Zn\n0.441578 0.558422 0.800009 Zn\n0.558422 0.441578 0.199991 Zn\n0.699991 0.300009 0.941578 Zn\n0.300009 0.699991 0.058422 Zn\n0.058422 0.941578 0.300009 Zn\n0.941578 0.058422 0.699991 Zn\n0.558422 0.199991 0.800009 Zn\n0.441578 0.800009 0.199991 Zn\n0.800009 0.441578 0.558422 Zn\n0.199991 0.558422 0.441578 Zn\n0.941578 0.699991 0.300009 Zn\n0.058422 0.300009 0.699991 Zn\n0.300009 0.058422 0.941578 Zn\n0.699991 0.941578 0.058422 Zn\n","nsites":28,"nelements":2,"elements":["La","Zn"],"chemical_system":"La-Zn","density":7.1851233221829425,"density_atomic":0.061237745291750884,"volume":457.23433915800587,"volume_molar":9.834034109696754,"formula_full":"La2 Zn26","formula_reduced":"LaZn13","formula_anonymous":"AB13","energy":-48.33360853,"energy_per_atom":-1.7262003046428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.33360853,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024606,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.823000Z","spacegroup":226},{"id":"mp-999393","created_at":"2022-09-04T14:41:16.154094Z","structure_string":"Nb1 Cr3\n1.0\n3.806973 0.000000 0.000000\n0.000000 3.806973 0.000000\n0.000000 0.000000 3.806973\nNb Cr\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n","nsites":4,"nelements":2,"elements":["Nb","Cr"],"chemical_system":"Cr-Nb","density":7.490750315434168,"density_atomic":0.07249709445480816,"volume":55.174624998156894,"volume_molar":8.30673395297789,"formula_full":"Nb1 Cr3","formula_reduced":"NbCr3","formula_anonymous":"AB3","energy":-36.97676108,"energy_per_atom":-9.24419027,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.97676108,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4225454,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.694000Z","spacegroup":221},{"id":"mp-1192350","created_at":"2022-09-04T14:41:16.134714Z","structure_string":"Nb8 Fe16\n1.0\n2.391330 -4.141905 0.000000\n2.391330 4.141905 0.000000\n0.000000 0.000000 15.585859\nNb Fe\n8 16\ndirect\n0.000000 0.000000 0.407497 Nb\n0.000000 0.000000 0.592503 Nb\n0.000000 0.000000 0.907497 Nb\n0.000000 0.000000 0.092503 Nb\n0.333333 0.666667 0.655925 Nb\n0.666667 0.333333 0.344075 Nb\n0.666667 0.333333 0.155925 Nb\n0.333333 0.666667 0.844075 Nb\n0.333333 0.666667 0.373484 Fe\n0.666667 0.333333 0.626516 Fe\n0.666667 0.333333 0.873484 Fe\n0.333333 0.666667 0.126516 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.162344 0.837656 0.250000 Fe\n0.162344 0.324688 0.250000 Fe\n0.675312 0.837656 0.250000 Fe\n0.837656 0.162344 0.750000 Fe\n0.837656 0.675312 0.750000 Fe\n0.324688 0.162344 0.750000 Fe\n","nsites":24,"nelements":2,"elements":["Nb","Fe"],"chemical_system":"Fe-Nb","density":8.803120472177783,"density_atomic":0.0777339715820182,"volume":308.74532088814306,"volume_molar":7.747115755749024,"formula_full":"Nb8 Fe16","formula_reduced":"NbFe2","formula_anonymous":"AB2","energy":-219.4349959,"energy_per_atom":-9.143124829166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.4349959,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.5935191,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.721000Z","spacegroup":194},{"id":"mp-756222","created_at":"2022-09-04T14:41:14.844387Z","structure_string":"Mg2 Fe4 O10\n1.0\n1.959310 -4.876539 0.000000\n1.959310 4.876539 0.000000\n0.000000 0.000000 9.755937\nMg Fe O\n2 4 10\ndirect\n0.795297 0.204703 0.250000 Mg\n0.204703 0.795297 0.750000 Mg\n0.861361 0.138639 0.561157 Fe\n0.861361 0.138639 0.938843 Fe\n0.138639 0.861361 0.061157 Fe\n0.138639 0.861361 0.438843 Fe\n0.953259 0.046741 0.114663 O\n0.953259 0.046741 0.385337 O\n0.690478 0.309522 0.056590 O\n0.690478 0.309522 0.443410 O\n0.215210 0.784790 0.250000 O\n0.784790 0.215210 0.750000 O\n0.309522 0.690478 0.556590 O\n0.046741 0.953259 0.614663 O\n0.309522 0.690478 0.943410 O\n0.046741 0.953259 0.885337 O\n","nsites":16,"nelements":3,"elements":["Mg","Fe","O"],"chemical_system":"Fe-Mg-O","density":3.847715203032355,"density_atomic":0.08582348444409196,"volume":186.42915868118695,"volume_molar":7.016891470915524,"formula_full":"Mg2 Fe4 O10","formula_reduced":"MgFe2O5","formula_anonymous":"AB2C5","energy":-114.3714238,"energy_per_atom":-7.1482139875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.4774238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0013126,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.149000Z","spacegroup":63},{"id":"mp-1220163","created_at":"2022-09-04T14:41:16.717723Z","structure_string":"Nd1 Ga3 Ni1\n1.0\n-2.076313 2.076313 5.331981\n2.076313 -2.076313 5.331981\n2.076313 2.076313 -5.331981\nNd Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619235 0.619235 0.000000 Ga\n0.380765 0.380765 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ni\n","nsites":5,"nelements":3,"elements":["Nd","Ga","Ni"],"chemical_system":"Ga-Nd-Ni","density":7.442556121314853,"density_atomic":0.05437957055572151,"volume":91.9462943326596,"volume_molar":11.074270536633328,"formula_full":"Nd1 Ga3 Ni1","formula_reduced":"NdGa3Ni","formula_anonymous":"ABC3","energy":-22.30946014,"energy_per_atom":-4.461892027999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.30946014,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003841,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.149000Z","spacegroup":119}]}