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"id": "mp-1521218",
"created_at": "2022-09-04T14:47:58.890825Z",
"structure_string": "Sr1 Ca1 Gd1 Sb1 O6\n1.0\n0.000000 -4.208931 -4.208931\n4.208931 0.000000 -4.208931\n4.208931 -4.208931 0.000000\nSr Ca Gd Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.736079 0.263921 0.263921 O\n0.263921 0.736079 0.736079 O\n0.736079 0.263921 0.736079 O\n0.263921 0.736079 0.263921 O\n0.736079 0.736079 0.263921 O\n0.263921 0.263921 0.736079 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Gd",
"Sb",
"O"
],
"chemical_system": "Ca-Gd-O-Sb-Sr",
"density": 5.597787009533022,
"density_atomic": 0.06705861601282385,
"volume": 149.1232684862996,
"volume_molar": 8.980413134157683,
"formula_full": "Sr1 Ca1 Gd1 Sb1 O6",
"formula_reduced": "SrCaGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.04562525,
"energy_per_atom": -8.104562525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.92362525,
"band_gap": 3.1028,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.285000Z",
"spacegroup": 216
}
]
}