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O24","formula_reduced":"CaScAlSiO6","formula_anonymous":"ABCDE6","energy":-332.20355624,"energy_per_atom":-8.305088906,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.71555624,"band_gap":4.604699999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.412000Z","spacegroup":14},{"id":"mp-1519179","created_at":"2022-09-04T14:42:28.857186Z","structure_string":"Ba1 Na1 Ce1 Fe1 O6\n1.0\n-0.000000 -4.128062 -4.128062\n4.128062 0.000000 -4.128062\n4.128062 -4.128062 0.000000\nBa Na Ce Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.733080 0.266920 0.266920 O\n0.266920 0.733080 0.733080 O\n0.733080 0.266920 0.733080 O\n0.266920 0.733080 0.266920 O\n0.733080 0.733080 0.266920 O\n0.266920 0.266920 0.733080 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Ce","Fe","O"],"chemical_system":"Ba-Ce-Fe-Na-O","density":5.338045265543923,"density_atomic":0.07107737334334596,"volume":140.69174942205666,"volume_molar":8.47265518790274,"formula_full":"Ba1 Na1 Ce1 Fe1 O6","formula_reduced":"BaNaCeFeO6","formula_anonymous":"ABCDE6","energy":-71.71568894,"energy_per_atom":-7.171568894000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.33768894,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.643000Z","spacegroup":216}]}