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0.247514 0.481729 O\n0.000000 0.753471 0.024524 O\n0.000000 0.752486 0.481729 O\n0.500000 0.254240 0.023184 O\n0.500000 0.254460 0.479618 O\n0.500000 0.745760 0.023184 O\n0.500000 0.745540 0.479618 O\n","nsites":38,"nelements":4,"elements":["Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Ti","density":4.0453301473591825,"density_atomic":0.08377392317106906,"volume":453.60177202639505,"volume_molar":7.188562421390478,"formula_full":"Ca8 Ti1 Mn7 O22","formula_reduced":"Ca8TiMn7O22","formula_anonymous":"AB7C8D22","energy":-295.49859803000004,"energy_per_atom":-7.776278895526317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.70859803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.0000482,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.627000Z","spacegroup":99}]}