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C\n0.319423 0.578031 0.960315 C\n0.039685 0.819423 0.921969 C\n0.578031 0.960315 0.319423 C\n0.819423 0.921969 0.039685 C\n0.539685 0.680577 0.078031 C\n0.921969 0.039685 0.819423 C\n0.680577 0.078031 0.539685 C\n0.960315 0.319423 0.578031 C\n0.421969 0.460315 0.180577 C\n0.180577 0.421969 0.460315 C\n0.460315 0.180577 0.421969 C\n0.553049 0.850281 0.657801 C\n0.342199 0.053049 0.649719 C\n0.350281 0.842199 0.446951 C\n0.053049 0.649719 0.342199 C\n0.842199 0.446951 0.350281 C\n0.850281 0.657801 0.553049 C\n0.446951 0.350281 0.842199 C\n0.657801 0.553049 0.850281 C\n0.649719 0.342199 0.053049 C\n0.946951 0.149719 0.157801 C\n0.157801 0.946951 0.149719 C\n0.149719 0.157801 0.946951 C\n0.491010 0.687967 0.789511 C\n0.210489 0.991010 0.812033 C\n0.187967 0.710489 0.508990 C\n0.991010 0.812033 0.210489 C\n0.710489 0.508990 0.187967 C\n0.687967 0.789511 0.491010 C\n0.508990 0.187967 0.710489 C\n0.789511 0.491010 0.687967 C\n0.812033 0.210489 0.991010 C\n0.008990 0.312033 0.289511 C\n0.289511 0.008990 0.312033 C\n0.312033 0.289511 0.008990 C\n0.470047 0.665081 0.573193 C\n0.426807 0.970047 0.834919 C\n0.165081 0.926807 0.529953 C\n0.970047 0.834919 0.426807 C\n0.926807 0.529953 0.165081 C\n0.665081 0.573193 0.470047 C\n0.529953 0.165081 0.926807 C\n0.573193 0.470047 0.665081 C\n0.834919 0.426807 0.970047 C\n0.029953 0.334919 0.073193 C\n0.073193 0.029953 0.334919 C\n0.334919 0.073193 0.029953 C\n0.164688 0.664688 0.835312 N\n0.664688 0.835312 0.164688 N\n0.835312 0.164688 0.664688 N\n0.335312 0.335312 0.335312 N\n0.663451 0.663451 0.663451 N\n0.336549 0.163451 0.836549 N\n0.163451 0.836549 0.336549 N\n0.836549 0.336549 0.163451 N\n0.305749 0.805749 0.694251 Cl\n0.805749 0.694251 0.305749 Cl\n0.694251 0.305749 0.805749 Cl\n0.194251 0.194251 0.194251 Cl\n0.804423 0.804423 0.804423 Cl\n0.195577 0.304423 0.695577 Cl\n0.304423 0.695577 0.195577 Cl\n0.695577 0.195577 0.304423 Cl\n","nsites":336,"nelements":6,"elements":["Cu","Sn","H","C","N","Cl"],"chemical_system":"C-Cl-Cu-H-N-Sn","density":1.84592136413982,"density_atomic":0.07724237312902389,"volume":4349.944031869053,"volume_molar":7.796421207749216,"formula_full":"Cu8 Sn24 H216 C72 N8 Cl8","formula_reduced":"CuSn3H27C9NCl","formula_anonymous":"ABCD3E9F27","energy":-1653.225451,"energy_per_atom":-4.920313842261905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1645.425451,"band_gap":2.8063,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.498000Z","spacegroup":198}]}