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"id": "mp-1521716",
"created_at": "2022-09-04T14:43:20.113243Z",
"structure_string": "Ba1 Ca1 Nd1 Sb1 O6\n1.0\n0.000000 -4.294268 -4.294268\n4.294268 0.000000 -4.294268\n4.294268 -4.294268 -0.000000\nBa Ca Nd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n0.732743 0.267257 0.267257 O\n0.267257 0.732743 0.732743 O\n0.732743 0.267257 0.732743 O\n0.267257 0.732743 0.267257 O\n0.732743 0.732743 0.267257 O\n0.267257 0.267257 0.732743 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-Nd-O-Sb",
"density": 5.655426300666863,
"density_atomic": 0.06313970815199084,
"volume": 158.3789392236,
"volume_molar": 9.537802654240044,
"formula_full": "Ba1 Ca1 Nd1 Sb1 O6",
"formula_reduced": "BaCaNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.5132167,
"energy_per_atom": -7.15132167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.3912167,
"band_gap": 3.2332000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.069000Z",
"spacegroup": 216
}
]
}