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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.254000Z",
"spacegroup": 216
},
{
"id": "mp-1521883",
"created_at": "2022-09-04T14:47:58.540689Z",
"structure_string": "Ba1 Gd1 Nb1 Sn1 O6\n1.0\n0.000000 -4.280355 -4.280355\n4.280355 0.000000 -4.280355\n4.280355 -4.280355 0.000000\nBa Gd Nb Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Sn\n0.735372 0.264628 0.264628 O\n0.264628 0.735372 0.735372 O\n0.735372 0.264628 0.735372 O\n0.264628 0.735372 0.264628 O\n0.735372 0.735372 0.264628 O\n0.264628 0.264628 0.735372 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Gd",
"Nb",
"Sn",
"O"
],
"chemical_system": "Ba-Gd-Nb-O-Sn",
"density": 6.375483316780927,
"density_atomic": 0.06375740544775532,
"volume": 156.8445254284115,
"volume_molar": 9.445398095652932,
"formula_full": "Ba1 Gd1 Nb1 Sn1 O6",
"formula_reduced": "BaGdNbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -89.06627691,
"energy_per_atom": -8.906627691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.94427691,
"band_gap": 2.1665,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.156000Z",
"spacegroup": 216
}
]
}