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O\n0.454020 0.901035 0.237197 O\n0.098965 0.552985 0.903863 O\n0.784379 0.577246 0.549388 O\n0.422754 0.207133 0.216055 O\n0.792867 0.215621 0.882722 O\n0.794200 0.213516 0.575275 O\n0.786484 0.580684 0.241941 O\n0.419316 0.205800 0.908608 O\n0.087731 0.540277 0.552683 O\n0.459723 0.547454 0.219349 O\n0.452546 0.912269 0.886016 O\n0.451946 0.912538 0.579456 O\n0.087462 0.539408 0.246123 O\n0.460592 0.548054 0.912789 O\n0.755989 0.876871 0.579558 O\n0.123129 0.879118 0.246225 O\n0.120882 0.244011 0.912891 O\n","nsites":126,"nelements":3,"elements":["Li","Mo","O"],"chemical_system":"Li-Mo-O","density":2.911175152275257,"density_atomic":0.07060224845214337,"volume":1784.6457125994666,"volume_molar":8.529672768257534,"formula_full":"Li36 Mo18 O72","formula_reduced":"Li2MoO4","formula_anonymous":"AB2C4","energy":-907.93781945,"energy_per_atom":-7.205855709920635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-800.83781945,"band_gap":4.4005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0869253,"is_theoretical":false,"updated_at":"2021-11-28T01:36:01.440000Z","spacegroup":145},{"id":"mp-1096208","created_at":"2022-09-04T14:43:11.578212Z","structure_string":"Zn2 Ir1 Au1\n1.0\n-4.915710 5.368983 7.595618\n4.915710 -5.368983 7.595618\n4.915710 5.368983 -7.595618\nZn Ir Au\n2 1 1\ndirect\n0.000000 0.246878 0.246878 Zn\n0.000000 0.753122 0.753122 Zn\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Zn","Ir","Au"],"chemical_system":"Au-Ir-Zn","density":1.0768429332321225,"density_atomic":0.004988369350536453,"volume":801.8652427109948,"volume_molar":120.72363405392937,"formula_full":"Zn2 Ir1 Au1","formula_reduced":"Zn2IrAu","formula_anonymous":"ABC2","energy":-7.943139,"energy_per_atom":-1.98578475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.943139,"band_gap":0.3654999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.107000Z","spacegroup":71},{"id":"mp-807","created_at":"2022-09-04T14:43:11.585325Z","structure_string":"Np1 Te1\n1.0\n0.000000 3.110114 3.110114\n3.110114 0.000000 3.110114\n3.110114 3.110114 0.000000\nNp Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Te\n","nsites":2,"nelements":2,"elements":["Np","Te"],"chemical_system":"Np-Te","density":10.062521967509307,"density_atomic":0.033240769999931176,"volume":60.167077958908315,"volume_molar":18.11673062932197,"formula_full":"Np1 Te1","formula_reduced":"NpTe","formula_anonymous":"AB","energy":-17.67296795,"energy_per_atom":-8.836483975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.25096795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.61667,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.712000Z","spacegroup":225},{"id":"mp-1247551","created_at":"2022-09-04T14:43:11.610639Z","structure_string":"Mg2 Mn2 Fe2 S8\n1.0\n6.132384 -0.001385 3.539091\n2.031054 5.786811 3.559479\n-0.009397 0.018276 7.094467\nMg Mn Fe S\n2 2 2 8\ndirect\n0.873127 0.877037 0.876868 Mg\n0.126878 0.122960 0.123130 Mg\n0.500001 0.500002 0.000003 Mn\n0.499997 0.000003 0.500008 Mn\n0.500003 0.500002 0.499997 Fe\n0.999995 0.500000 0.500004 Fe\n0.749088 0.729353 0.729388 S\n0.257356 0.283805 0.701431 S\n0.257374 0.701439 0.283776 S\n0.707854 0.270862 0.270806 S\n0.742623 0.298558 0.716214 S\n0.292148 0.729141 0.729187 S\n0.250909 0.270633 0.270625 S\n0.742651 0.716201 0.298565 S\n","nsites":14,"nelements":4,"elements":["Mg","Mn","Fe","S"],"chemical_system":"Fe-Mg-Mn-S","density":3.4746882805158736,"density_atomic":0.05562047499055537,"volume":251.7058691493963,"volume_molar":10.827201243827187,"formula_full":"Mg2 Mn2 Fe2 S8","formula_reduced":"MgMnFeS4","formula_anonymous":"ABCD4","energy":-84.90189227,"energy_per_atom":-6.064420876428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.87789227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0089767,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.004000Z","spacegroup":74}]}