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Mn1 Cl8\n1.0\n0.000000 5.663793 5.663793\n5.663793 0.000000 5.663793\n5.663793 5.663793 0.000000\nNa Mn Cl\n6 1 8\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cl\n0.773169 0.226831 0.226831 Cl\n0.750000 0.750000 0.750000 Cl\n0.226831 0.773169 0.226831 Cl\n0.226831 0.773169 0.773169 Cl\n0.226831 0.226831 0.773169 Cl\n0.773169 0.773169 0.226831 Cl\n0.773169 0.226831 0.773169 Cl\n","nsites":15,"nelements":3,"elements":["Na","Mn","Cl"],"chemical_system":"Cl-Mn-Na","density":2.1775116726141377,"density_atomic":0.041279948441761236,"volume":363.3725468713307,"volume_molar":14.588537503859007,"formula_full":"Na6 Mn1 Cl8","formula_reduced":"Na6MnCl8","formula_anonymous":"AB6C8","energy":-61.82098840999999,"energy_per_atom":-4.121399227333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.90898841,"band_gap":2.5584,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0005648,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.370000Z","spacegroup":225}]}