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O\n0.000000 0.000000 0.196496 O\n0.142537 0.285074 0.357020 O\n0.857374 0.142626 0.267812 O\n0.192417 0.384834 0.102959 O\n0.477023 0.522977 0.190746 O\n0.333333 0.666667 0.261513 O\n0.045953 0.522977 0.190746 O\n0.333333 0.666667 0.029856 O\n0.615166 0.807583 0.102959 O\n0.477023 0.954047 0.190746 O\n0.192417 0.807583 0.102959 O\n0.836010 0.163990 0.028382 O\n0.327981 0.163990 0.028382 O\n0.666667 0.333333 0.091920 O\n0.836010 0.672019 0.028382 O\n","nsites":84,"nelements":3,"elements":["Cd","Ga","O"],"chemical_system":"Cd-Ga-O","density":6.255808938949644,"density_atomic":0.0834920669438662,"volume":1006.0836085957161,"volume_molar":7.212829889633509,"formula_full":"Cd12 Ga24 O48","formula_reduced":"Cd(GaO2)2","formula_anonymous":"AB2C4","energy":-490.30428298,"energy_per_atom":-5.836955749761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-457.32828298,"band_gap":0.6322000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001564,"is_theoretical":true,"updated_at":"2021-11-28T01:38:57.300000Z","spacegroup":156}]}