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Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253266 0.000000 0.251871 Mg\n0.253266 0.000000 0.748129 Mg\n0.746734 0.000000 0.251871 Mg\n0.746734 0.000000 0.748129 Mg\n0.250152 0.500000 0.250373 Mg\n0.250152 0.500000 0.749627 Mg\n0.749848 0.500000 0.250373 Mg\n0.749848 0.500000 0.749627 Mg\n0.000000 0.253266 0.251871 Mg\n0.000000 0.253266 0.748129 Mg\n0.500000 0.250152 0.250373 Mg\n0.500000 0.250152 0.749627 Mg\n0.000000 0.746734 0.251871 Mg\n0.000000 0.746734 0.748129 Mg\n0.500000 0.749848 0.250373 Mg\n0.500000 0.749848 0.749627 Mg\n0.251764 0.251764 0.000000 Mg\n0.250514 0.250514 0.500000 Mg\n0.748236 0.251764 0.000000 Mg\n0.749486 0.250514 0.500000 Mg\n0.251764 0.748236 0.000000 Mg\n0.250514 0.749486 0.500000 Mg\n0.748236 0.748236 0.000000 Mg\n0.749486 0.749486 0.500000 Mg\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Cr\n0.000000 0.261724 0.000000 O\n0.000000 0.260124 0.500000 O\n0.500000 0.251460 0.000000 O\n0.500000 0.251334 0.500000 O\n0.000000 0.738276 0.000000 O\n0.000000 0.739876 0.500000 O\n0.500000 0.748540 0.000000 O\n0.500000 0.748666 0.500000 O\n0.249280 0.249280 0.249686 O\n0.249280 0.249280 0.750314 O\n0.750720 0.249280 0.249686 O\n0.750720 0.249280 0.750314 O\n0.249280 0.750720 0.249686 O\n0.249280 0.750720 0.750314 O\n0.750720 0.750720 0.249686 O\n0.750720 0.750720 0.750314 O\n0.000000 0.000000 0.261852 O\n0.000000 0.000000 0.738148 O\n0.500000 0.000000 0.250035 O\n0.500000 0.000000 0.749965 O\n0.000000 0.500000 0.250035 O\n0.000000 0.500000 0.749965 O\n0.500000 0.500000 0.249969 O\n0.500000 0.500000 0.750031 O\n0.261724 0.000000 0.000000 O\n0.260124 0.000000 0.500000 O\n0.738276 0.000000 0.000000 O\n0.739876 0.000000 0.500000 O\n0.251460 0.500000 0.000000 O\n0.251334 0.500000 0.500000 O\n0.748540 0.500000 0.000000 O\n0.748666 0.500000 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","Nb","Cr","O"],"chemical_system":"Cr-Mg-Nb-O","density":3.6608635935167833,"density_atomic":0.10179835622272482,"volume":628.6938451144955,"volume_molar":5.915754422226766,"formula_full":"Mg30 Nb1 Cr1 O32","formula_reduced":"Mg30NbCrO32","formula_anonymous":"ABC30D32","energy":-413.98688753,"energy_per_atom":-6.46854511765625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.00388753,"band_gap":0.345600000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0074937,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.784000Z","spacegroup":123},{"id":"mp-1219670","created_at":"2022-09-04T14:40:59.054933Z","structure_string":"Pu1 Ga1\n1.0\n-1.371798 -1.655000 1.655000\n-1.371798 1.655000 -1.655000\n0.000000 -3.777668 -3.777668\nPu Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n","nsites":2,"nelements":2,"elements":["Pu","Ga"],"chemical_system":"Ga-Pu","density":15.185304840561537,"density_atomic":0.05829859032648127,"volume":34.30614683476368,"volume_molar":10.329822258608766,"formula_full":"Pu1 Ga1","formula_reduced":"PuGa","formula_anonymous":"AB","energy":-17.17594345,"energy_per_atom":-8.587971725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.17594345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1900466,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.504000Z","spacegroup":65}]}