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O\n0.000000 0.327715 0.779970 O\n0.500000 0.309663 0.845824 O\n0.171905 0.278747 0.965427 O\n0.828095 0.278747 0.965427 O\n0.500000 0.998186 0.000097 F\n0.000000 0.497266 0.490277 F\n0.500000 0.510647 0.507602 F\n","nsites":83,"nelements":5,"elements":["Na","Ca","S","O","F"],"chemical_system":"Ca-F-Na-O-S","density":2.6997260957576996,"density_atomic":0.07542228095480111,"volume":1100.470563197897,"volume_molar":7.984564619053266,"formula_full":"Na13 Ca7 S12 O48 F3","formula_reduced":"Na13Ca7S12(O16F)3","formula_anonymous":"A3B7C12D13E48","energy":-531.75315554,"energy_per_atom":-6.4066645245783125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-497.39115554000006,"band_gap":5.261699999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0078293,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.488000Z","spacegroup":6}]}