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Cl52","formula_reduced":"P3CN2Cl13","formula_anonymous":"AB2C3D13","energy":-331.2709810600001,"energy_per_atom":-4.358828698157896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.45498106,"band_gap":0.0110999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0058583,"is_theoretical":false,"updated_at":"2021-11-28T01:35:36.639000Z","spacegroup":4},{"id":"mp-1074613","created_at":"2022-09-04T14:42:13.229259Z","structure_string":"Mg8 Si4\n1.0\n5.882940 0.000000 0.000000\n2.408225 5.477699 0.000000\n1.282039 2.234751 7.376695\nMg Si\n8 4\ndirect\n0.515777 0.004656 0.344588 Mg\n0.845126 0.606073 0.678008 Mg\n0.195946 0.074590 0.689414 Mg\n0.908163 0.869143 0.022664 Mg\n0.667105 0.155292 0.674178 Mg\n0.033299 0.953131 0.353441 Mg\n0.577256 0.507337 0.293896 Mg\n0.434728 0.447843 0.968777 Mg\n0.989531 0.333787 0.039870 Si\n0.082177 0.446893 0.316562 Si\n0.357549 0.631959 0.605147 Si\n0.392874 0.969767 0.013563 Si\n","nsites":12,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.143011795436842,"density_atomic":0.05048087053446759,"volume":237.71380867543832,"volume_molar":11.929550136993322,"formula_full":"Mg8 Si4","formula_reduced":"Mg2Si","formula_anonymous":"AB2","energy":-33.50602889,"energy_per_atom":-2.792169074166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.79002889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013732,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.381000Z","spacegroup":1}]}