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Na\n0.000000 0.000000 0.000000 Sc\n0.235826 0.235826 0.764174 F\n0.235826 0.764174 0.764174 F\n0.764175 0.764175 0.235826 F\n0.235826 0.764175 0.235826 F\n0.764174 0.235826 0.764174 F\n0.764174 0.235826 0.235826 F\n","nsites":10,"nelements":4,"elements":["K","Na","Sc","F"],"chemical_system":"F-K-Na-Sc","density":2.707312996043321,"density_atomic":0.06267501132729736,"volume":159.55322206131964,"volume_molar":9.608519619648042,"formula_full":"K2 Na1 Sc1 F6","formula_reduced":"K2NaScF6","formula_anonymous":"ABC2D6","energy":-57.07995066000001,"energy_per_atom":-5.7079950660000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.30795066,"band_gap":6.749700000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.97e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.187000Z","spacegroup":225}]}