{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10176","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10174","results":[{"id":"mp-3677","created_at":"2022-09-04T14:41:46.566830Z","structure_string":"Mg4 Si4 N8\n1.0\n5.030545 0.000000 0.000000\n0.000000 5.310046 0.000000\n0.000000 0.000000 6.503645\nMg Si N\n4 4 8\ndirect\n0.988576 0.584668 0.877199 Mg\n0.488576 0.915332 0.377199 Mg\n0.488576 0.415332 0.122801 Mg\n0.988576 0.084668 0.622801 Mg\n0.000067 0.069839 0.125446 Si\n0.500067 0.930161 0.874554 Si\n0.500067 0.430161 0.625446 Si\n0.000067 0.569839 0.374554 Si\n0.410800 0.609688 0.844182 N\n0.910800 0.390312 0.155818 N\n0.910800 0.890312 0.344182 N\n0.410800 0.109688 0.655818 N\n0.346577 0.548014 0.404881 N\n0.346577 0.048014 0.095119 N\n0.846577 0.951986 0.904881 N\n0.846577 0.451986 0.595119 N\n","nsites":16,"nelements":3,"elements":["Mg","Si","N"],"chemical_system":"Mg-N-Si","density":3.0740862939954434,"density_atomic":0.09209792249990288,"volume":173.72813159837423,"volume_molar":6.538845390357585,"formula_full":"Mg4 Si4 N8","formula_reduced":"MgSiN2","formula_anonymous":"ABC2","energy":-116.46551429,"energy_per_atom":-7.279094643125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.57751429,"band_gap":4.275,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009713,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.775000Z","spacegroup":33},{"id":"mp-1184496","created_at":"2022-09-04T14:41:46.567384Z","structure_string":"Gd6 Lu2\n1.0\n3.575225 -6.192471 0.000000\n3.575225 6.192471 0.000000\n0.000000 0.000000 5.712338\nGd Lu\n6 2\ndirect\n0.832186 0.167814 0.750000 Gd\n0.335628 0.167814 0.750000 Gd\n0.832186 0.664372 0.750000 Gd\n0.167814 0.832186 0.250000 Gd\n0.664372 0.832186 0.250000 Gd\n0.167814 0.335628 0.250000 Gd\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n","nsites":8,"nelements":2,"elements":["Gd","Lu"],"chemical_system":"Gd-Lu","density":8.491455108499869,"density_atomic":0.03162851011386993,"volume":252.93635303079895,"volume_molar":19.04022901590655,"formula_full":"Gd6 Lu2","formula_reduced":"Gd3Lu","formula_anonymous":"AB3","energy":-93.54016383,"energy_per_atom":-11.69252047875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.54016383,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":46.8875131,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.552000Z","spacegroup":194},{"id":"mp-1174670","created_at":"2022-09-04T14:41:46.574125Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n4.991954 0.000000 0.000000\n0.787730 6.556143 0.000000\n1.682324 0.343050 7.620686\nLi Mn Co O\n8 2 4 14\ndirect\n0.071506 0.852735 0.366858 Li\n0.784530 0.435611 0.916136 Li\n0.508722 0.986231 0.500399 Li\n0.935162 0.150158 0.637921 Li\n0.637189 0.710662 0.225064 Li\n0.368713 0.293473 0.778525 Li\n0.215726 0.571798 0.070770 Li\n0.718265 0.573607 0.570584 Li\n0.996282 0.999653 0.000997 Mn\n0.854818 0.285694 0.286209 Mn\n0.424456 0.142210 0.143310 Co\n0.140325 0.712518 0.705864 Co\n0.567516 0.847646 0.850489 Co\n0.283562 0.433906 0.434863 Co\n0.303637 0.883772 0.102166 O\n0.056678 0.435130 0.674796 O\n0.744644 0.018199 0.234155 O\n0.170896 0.153395 0.370784 O\n0.893044 0.738248 0.966034 O\n0.610374 0.283187 0.509431 O\n0.458372 0.591618 0.825639 O\n0.831920 0.857208 0.621844 O\n0.548097 0.402067 0.182889 O\n0.238436 0.002170 0.772500 O\n0.675750 0.127062 0.914533 O\n0.380222 0.708251 0.468076 O\n0.105139 0.263440 0.051507 O\n0.976019 0.540350 0.317658 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.162031049931912,"density_atomic":0.1122651527113432,"volume":249.40953914696718,"volume_molar":5.364211970106309,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy":-183.4151769,"energy_per_atom":-6.550542032142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.9091769,"band_gap":1.0244,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9981595,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.442000Z","spacegroup":1},{"id":"mp-20173","created_at":"2022-09-04T14:41:46.584861Z","structure_string":"Ce1 Cu2 Ge2\n1.0\n-2.076920 2.076920 5.110018\n2.076920 -2.076920 5.110018\n2.076920 2.076920 -5.110018\nCe Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.622133 0.622133 0.000000 Ge\n0.377867 0.377867 0.000000 Ge\n","nsites":5,"nelements":3,"elements":["Ce","Cu","Ge"],"chemical_system":"Ce-Cu-Ge","density":7.768523037565995,"density_atomic":0.05670848515071037,"volume":88.1702268489774,"volume_molar":10.619470338513464,"formula_full":"Ce1 Cu2 Ge2","formula_reduced":"Ce(CuGe)2","formula_anonymous":"AB2C2","energy":-25.87477925,"energy_per_atom":-5.17495585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.87477925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1860551,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.246000Z","spacegroup":139},{"id":"mp-757397","created_at":"2022-09-04T14:41:46.587692Z","structure_string":"V4 Cu2 P6 O24\n1.0\n8.626112 -0.007093 -0.005007\n4.338054 7.455948 -0.005007\n4.338054 2.492526 7.026984\nV Cu P O\n4 2 6 24\ndirect\n0.142252 0.142252 0.142252 V\n0.357748 0.357748 0.357748 V\n0.642252 0.642252 0.642252 V\n0.857748 0.857748 0.857748 V\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.039989 0.750000 0.460011 P\n0.460011 0.039989 0.750000 P\n0.750000 0.460011 0.039989 P\n0.250000 0.539989 0.960011 P\n0.539989 0.960011 0.250000 P\n0.960011 0.250000 0.539989 P\n0.124273 0.302289 0.504017 O\n0.302289 0.504017 0.124273 O\n0.058032 0.917017 0.269216 O\n0.504017 0.124273 0.302289 O\n0.004017 0.802289 0.624273 O\n0.230784 0.582983 0.441968 O\n0.269216 0.058032 0.917017 O\n0.441968 0.230784 0.582983 O\n0.197711 0.375727 0.995983 O\n0.582983 0.441968 0.230784 O\n0.082983 0.730784 0.941968 O\n0.375727 0.995983 0.197711 O\n0.624273 0.004017 0.802289 O\n0.917017 0.269216 0.058032 O\n0.417017 0.558032 0.769216 O\n0.802289 0.624273 0.004017 O\n0.558032 0.769216 0.417017 O\n0.730784 0.941968 0.082983 O\n0.769216 0.417017 0.558032 O\n0.995983 0.197711 0.375727 O\n0.495983 0.875727 0.697711 O\n0.941968 0.082983 0.730784 O\n0.697711 0.495983 0.875727 O\n0.875727 0.697711 0.495983 O\n","nsites":36,"nelements":4,"elements":["V","Cu","P","O"],"chemical_system":"Cu-O-P-V","density":3.3061373593260863,"density_atomic":0.07957942581124998,"volume":452.3782326023111,"volume_molar":7.567459426364273,"formula_full":"V4 Cu2 P6 O24","formula_reduced":"V2Cu(PO4)3","formula_anonymous":"AB2C3D12","energy":-283.99598548,"energy_per_atom":-7.8887773744444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.70798548,"band_gap":0.0192999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0016137,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.087000Z","spacegroup":167},{"id":"mp-1222339","created_at":"2022-09-04T14:41:58.198581Z","structure_string":"Lu2 Al1 Co3\n1.0\n4.135057 -2.624299 0.000000\n4.135057 2.624299 0.000000\n2.469556 0.000000 4.229296\nLu Al Co\n2 1 3\ndirect\n0.628738 0.628738 0.628738 Lu\n0.371262 0.371262 0.371262 Lu\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":6,"nelements":3,"elements":["Lu","Al","Co"],"chemical_system":"Al-Co-Lu","density":10.017113399984101,"density_atomic":0.06536697050884015,"volume":91.78947644802611,"volume_molar":9.212819124278635,"formula_full":"Lu2 Al1 Co3","formula_reduced":"Lu2AlCo3","formula_anonymous":"AB2C3","energy":-36.39636902,"energy_per_atom":-6.066061503333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.39636902,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1021486,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.349000Z","spacegroup":166},{"id":"mp-755644","created_at":"2022-09-04T14:41:46.571203Z","structure_string":"Mn4 P4 O14\n1.0\n4.603859 0.000015 0.010528\n0.000033 10.441105 -0.000040\n-0.690181 -0.000023 5.426833\nMn P O\n4 4 14\ndirect\n0.101023 0.654106 0.410201 Mn\n0.899156 0.154350 0.089717 Mn\n0.100521 0.845591 0.910368 Mn\n0.899444 0.345532 0.589649 Mn\n0.358934 0.109423 0.650607 P\n0.358983 0.390612 0.150577 P\n0.641055 0.609441 0.849390 P\n0.641039 0.890600 0.349419 P\n0.499994 0.000041 0.499993 O\n0.499979 0.500031 0.000018 O\n0.130674 0.322816 0.966026 O\n0.130665 0.177232 0.465971 O\n0.869324 0.822802 0.533986 O\n0.869314 0.677221 0.034046 O\n0.214043 0.043233 0.856197 O\n0.214069 0.456804 0.356191 O\n0.785933 0.543218 0.643811 O\n0.785911 0.956826 0.143813 O\n0.386912 0.696646 0.746631 O\n0.386873 0.803410 0.246620 O\n0.613052 0.196655 0.753373 O\n0.613100 0.303413 0.253395 O\n","nsites":22,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":3.612268047930349,"density_atomic":0.08431045989160212,"volume":260.9403391736373,"volume_molar":7.1428156930263,"formula_full":"Mn4 P4 O14","formula_reduced":"Mn2P2O7","formula_anonymous":"A2B2C7","energy":-184.36365059,"energy_per_atom":-8.38016593590909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.07365059,"band_gap":3.2942,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.090000Z","spacegroup":14},{"id":"mp-973878","created_at":"2022-09-04T14:41:46.585556Z","structure_string":"Lu3 Ga5 Ni1\n1.0\n3.396206 -5.882402 0.000000\n3.396206 5.882402 0.000000\n0.000000 0.000000 4.170398\nLu Ga Ni\n3 5 1\ndirect\n0.591820 0.000000 0.500000 Lu\n0.408180 0.408180 0.500000 Lu\n0.000000 0.591820 0.500000 Lu\n0.236096 0.000000 0.000000 Ga\n0.000000 0.236096 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.763904 0.763904 0.000000 Ga\n0.000000 0.000000 0.500000 Ni\n","nsites":9,"nelements":3,"elements":["Lu","Ga","Ni"],"chemical_system":"Ga-Lu-Ni","density":9.289799707303263,"density_atomic":0.054011505719667965,"volume":166.63116275098963,"volume_molar":11.149736856543647,"formula_full":"Lu3 Ga5 Ni1","formula_reduced":"Lu3Ga5Ni","formula_anonymous":"AB3C5","energy":-40.38627819,"energy_per_atom":-4.487364243333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.38627819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.009922,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.468000Z","spacegroup":189},{"id":"mp-10030","created_at":"2022-09-04T14:41:46.594245Z","structure_string":"Ru1 C1\n1.0\n1.467796 -2.542297 0.000000\n1.467796 2.542297 0.000000\n0.000000 0.000000 2.682825\nRu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.666667 0.333333 0.500000 C\n","nsites":2,"nelements":2,"elements":["Ru","C"],"chemical_system":"C-Ru","density":9.378281415452644,"density_atomic":0.09988854117504618,"volume":20.0223166388542,"volume_molar":6.028860457023503,"formula_full":"Ru1 C1","formula_reduced":"RuC","formula_anonymous":"AB","energy":-17.20419755,"energy_per_atom":-8.602098775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.20419755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.561000Z","spacegroup":187},{"id":"mp-1100532","created_at":"2022-09-04T14:41:46.597920Z","structure_string":"Li9 Mn7 O16\n1.0\n5.840234 0.000000 0.000000\n2.866557 5.295026 0.000000\n1.406684 1.647523 9.642912\nLi Mn O\n9 7 16\ndirect\n0.500000 0.500000 0.500000 Li\n0.872498 0.377750 0.254003 Li\n0.251937 0.248187 0.996685 Li\n0.620219 0.128721 0.749390 Li\n0.000000 0.000000 0.500000 Li\n0.379781 0.871279 0.250610 Li\n0.748063 0.751813 0.003315 Li\n0.127502 0.622250 0.745997 Li\n0.500000 0.000000 0.500000 Li\n0.627899 0.622929 0.745474 Mn\n0.000000 0.500000 0.500000 Mn\n0.372101 0.377071 0.254526 Mn\n0.250692 0.751630 0.999479 Mn\n0.133958 0.114978 0.743470 Mn\n0.866042 0.885022 0.256530 Mn\n0.749308 0.248370 0.000521 Mn\n0.322798 0.814690 0.637720 O\n0.712458 0.686075 0.374095 O\n0.075146 0.575775 0.128841 O\n0.463162 0.429751 0.874590 O\n0.839332 0.302125 0.618173 O\n0.174601 0.233244 0.382644 O\n0.581410 0.057666 0.123976 O\n0.963303 0.932428 0.871203 O\n0.677202 0.185310 0.362280 O\n0.036697 0.067572 0.128797 O\n0.418590 0.942334 0.876024 O\n0.825399 0.766756 0.617356 O\n0.160668 0.697875 0.381827 O\n0.536838 0.570249 0.125410 O\n0.924854 0.424225 0.871159 O\n0.287542 0.313925 0.625905 O\n","nsites":32,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.9148376782791097,"density_atomic":0.10731079927815457,"volume":298.19925128928094,"volume_molar":5.611868330595816,"formula_full":"Li9 Mn7 O16","formula_reduced":"Li9Mn7O16","formula_anonymous":"A7B9C16","energy":-228.726879,"energy_per_atom":-7.14771496875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.058879,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.0007736,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.701000Z","spacegroup":2},{"id":"mp-1019269","created_at":"2022-09-04T14:41:46.599010Z","structure_string":"Sr2 H3 I1\n1.0\n2.124124 -3.679091 0.000000\n2.124124 3.679091 0.000000\n0.000000 0.000000 7.715925\nSr H I\n2 3 1\ndirect\n0.666667 0.333333 0.678678 Sr\n0.333333 0.666667 0.321322 Sr\n0.000000 0.000000 0.500000 H\n0.666667 0.333333 0.358530 H\n0.333333 0.666667 0.641470 H\n0.000000 0.000000 0.000000 I\n","nsites":6,"nelements":3,"elements":["Sr","H","I"],"chemical_system":"H-I-Sr","density":4.2019425703638476,"density_atomic":0.04975226547865517,"volume":120.59752339467101,"volume_molar":12.104254353168367,"formula_full":"Sr2 H3 I1","formula_reduced":"Sr2H3I","formula_anonymous":"AB2C3","energy":-21.07227332,"energy_per_atom":-3.5120455533333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.15627332,"band_gap":2.0572,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002304,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.501000Z","spacegroup":164},{"id":"mp-1120822","created_at":"2022-09-04T14:41:46.637762Z","structure_string":"Ti4 Zn4 Sn4 O16\n1.0\n3.115084 0.000000 0.000000\n0.000000 10.082016 0.000000\n0.000000 0.000000 11.707430\nTi Zn Sn O\n4 4 4 16\ndirect\n0.750000 0.184437 0.780237 Ti\n0.750000 0.315563 0.280237 Ti\n0.250000 0.815563 0.219763 Ti\n0.250000 0.684437 0.719763 Ti\n0.750000 0.481220 0.918911 Zn\n0.750000 0.018780 0.418911 Zn\n0.250000 0.518780 0.081089 Zn\n0.250000 0.981220 0.581089 Zn\n0.250000 0.350652 0.534217 Sn\n0.250000 0.149348 0.034217 Sn\n0.750000 0.649348 0.465783 Sn\n0.750000 0.850652 0.965783 Sn\n0.750000 0.309312 0.654666 O\n0.750000 0.190688 0.154666 O\n0.250000 0.690688 0.345334 O\n0.250000 0.809312 0.845334 O\n0.250000 0.087787 0.718864 O\n0.250000 0.412213 0.218864 O\n0.750000 0.912213 0.281136 O\n0.750000 0.587787 0.781136 O\n0.250000 0.275771 0.869466 O\n0.250000 0.224229 0.369466 O\n0.750000 0.724229 0.130534 O\n0.750000 0.775771 0.630534 O\n0.750000 0.063966 0.925361 O\n0.750000 0.436034 0.425361 O\n0.250000 0.936034 0.074639 O\n0.250000 0.563966 0.574639 O\n","nsites":28,"nelements":4,"elements":["Ti","Zn","Sn","O"],"chemical_system":"O-Sn-Ti-Zn","density":5.3468502716945965,"density_atomic":0.07615164988513415,"volume":367.6873717409238,"volume_molar":7.908089672493892,"formula_full":"Ti4 Zn4 Sn4 O16","formula_reduced":"TiZnSnO4","formula_anonymous":"ABCD4","energy":-193.45863093,"energy_per_atom":-6.909236818928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.46663093,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014592,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.133000Z","spacegroup":62}]}