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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9312727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.998000Z",
"spacegroup": 7
},
{
"id": "mp-1521577",
"created_at": "2022-09-04T14:47:10.011895Z",
"structure_string": "K1 Ca1 Ti1 Bi1 O6\n1.0\n0.000000 -4.066389 -4.066389\n4.066389 0.000000 -4.066389\n4.066389 -4.066389 -0.000000\nK Ca Ti Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Bi\n0.741291 0.258709 0.258709 O\n0.258709 0.741291 0.741291 O\n0.741291 0.258709 0.741291 O\n0.258709 0.741291 0.258709 O\n0.741291 0.741291 0.258709 O\n0.258709 0.258709 0.741291 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-K-O-Ti",
"density": 5.334531565095831,
"density_atomic": 0.0743606604988333,
"volume": 134.47970920264885,
"volume_molar": 8.098557381822188,
"formula_full": "K1 Ca1 Ti1 Bi1 O6",
"formula_reduced": "KCaTiBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.77514314,
"energy_per_atom": -6.877514314,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.65314314,
"band_gap": 0.6149,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.095000Z",
"spacegroup": 216
}
]
}