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O\n","nsites":63,"nelements":4,"elements":["Li","Cu","B","O"],"chemical_system":"B-Cu-Li-O","density":2.4758474626353055,"density_atomic":0.10151669436632464,"volume":620.5875830891762,"volume_molar":5.9321679036051025,"formula_full":"Li18 Cu3 B12 O30","formula_reduced":"Li6Cu(B2O5)2","formula_anonymous":"AB4C6D10","energy":-433.43116066,"energy_per_atom":-6.879859693015873,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-412.82116066,"band_gap":0.7405999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1339716,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.319000Z","spacegroup":2},{"id":"mp-759887","created_at":"2022-09-04T14:39:23.962601Z","structure_string":"Sr18 Ni14 O42\n1.0\n12.347499 -4.765457 0.000000\n12.347499 4.765457 0.000000\n10.508294 0.000000 8.046494\nSr Ni O\n18 14 42\ndirect\n0.717133 0.005187 0.364094 Sr\n0.918766 0.250000 0.581234 Sr\n0.782867 0.135906 0.494813 Sr\n0.864094 0.505187 0.217133 Sr\n0.994813 0.635906 0.282867 Sr\n0.418765 0.081234 0.750000 Sr\n0.635906 0.282867 0.994813 Sr\n0.750000 0.418765 0.081234 Sr\n0.505187 0.217133 0.864094 Sr\n0.494813 0.782867 0.135906 Sr\n0.250000 0.581234 0.918766 Sr\n0.364094 0.717133 0.005187 Sr\n0.581234 0.918766 0.250000 Sr\n0.135906 0.494813 0.782867 Sr\n0.005187 0.364094 0.717133 Sr\n0.217133 0.864094 0.505187 Sr\n0.081234 0.750000 0.418766 Sr\n0.282867 0.994813 0.635906 Sr\n0.000000 0.000000 0.000000 Ni\n0.068438 0.068438 0.068438 Ni\n0.215369 0.215369 0.215369 Ni\n0.284631 0.284631 0.284631 Ni\n0.143008 0.143008 0.143008 Ni\n0.356992 0.356992 0.356992 Ni\n0.431562 0.431562 0.431562 Ni\n0.568438 0.568438 0.568438 Ni\n0.643008 0.643008 0.643008 Ni\n0.500000 0.500000 0.500000 Ni\n0.784631 0.784631 0.784631 Ni\n0.856992 0.856992 0.856992 Ni\n0.931562 0.931562 0.931562 Ni\n0.715369 0.715369 0.715369 Ni\n0.470759 0.153502 0.322232 O\n0.346498 0.029241 0.177768 O\n0.250000 0.099971 0.400029 O\n0.400029 0.250000 0.099971 O\n0.322232 0.470759 0.153502 O\n0.029241 0.177768 0.346498 O\n0.946960 0.090475 0.256484 O\n0.956366 0.126708 0.819836 O\n0.177768 0.346498 0.029241 O\n0.153502 0.322232 0.470759 O\n0.743516 0.053040 0.909525 O\n0.873292 0.180164 0.043634 O\n0.099971 0.400029 0.250000 O\n0.680164 0.373292 0.543634 O\n0.553040 0.243516 0.409525 O\n0.626708 0.456366 0.319836 O\n0.756484 0.590475 0.446960 O\n0.909525 0.743516 0.053040 O\n0.590475 0.446960 0.756484 O\n0.180164 0.043634 0.873292 O\n0.456366 0.319836 0.626708 O\n0.543634 0.680164 0.373292 O\n0.819836 0.956366 0.126708 O\n0.409525 0.553040 0.243516 O\n0.090475 0.256484 0.946960 O\n0.243516 0.409525 0.553040 O\n0.373292 0.543634 0.680164 O\n0.446960 0.756484 0.590475 O\n0.319836 0.626708 0.456366 O\n0.900029 0.599971 0.750000 O\n0.126708 0.819836 0.956366 O\n0.256484 0.946960 0.090475 O\n0.822232 0.653502 0.970759 O\n0.846498 0.677768 0.529241 O\n0.043634 0.873292 0.180164 O\n0.053040 0.909525 0.743516 O\n0.970759 0.822232 0.653502 O\n0.677768 0.529241 0.846498 O\n0.750000 0.900029 0.599971 O\n0.599971 0.750000 0.900029 O\n0.529241 0.846498 0.677768 O\n0.653502 0.970759 0.822232 O\n","nsites":74,"nelements":3,"elements":["Sr","Ni","O"],"chemical_system":"Ni-O-Sr","density":5.385008381826902,"density_atomic":0.07814685011336868,"volume":946.9351598003913,"volume_molar":7.706184895825743,"formula_full":"Sr18 Ni14 O42","formula_reduced":"Sr9(NiO3)7","formula_anonymous":"A7B9C21","energy":-470.41439201,"energy_per_atom":-6.356951243378378,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-405.98639201,"band_gap":1.3374,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9989456,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.741000Z","spacegroup":167}]}