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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.350000Z",
"spacegroup": 216
},
{
"id": "mp-1518830",
"created_at": "2022-09-04T14:45:43.240480Z",
"structure_string": "K4 Ba4 Tb4 Bi4 O24\n1.0\n8.741789 0.000000 0.000000\n0.000000 8.709385 0.000000\n0.000000 0.000000 8.751975\nK Ba Tb Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 -0.000000 0.500000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.992854 0.235672 0.263664 O\n0.007146 0.764328 0.263664 O\n0.007146 0.235672 0.736336 O\n0.992854 0.764328 0.736336 O\n0.263273 0.993038 0.224824 O\n0.263273 0.006962 0.775176 O\n0.736727 0.006962 0.224824 O\n0.736727 0.993038 0.775176 O\n0.234140 0.253818 0.993011 O\n0.765860 0.253818 0.006989 O\n0.234140 0.746182 0.006989 O\n0.765860 0.746182 0.993011 O\n0.507146 0.264328 0.236336 O\n0.492854 0.735672 0.236336 O\n0.492854 0.264328 0.763664 O\n0.507146 0.735672 0.763664 O\n0.236727 0.506962 0.275176 O\n0.236727 0.493038 0.724824 O\n0.763273 0.493038 0.275176 O\n0.763273 0.506962 0.724824 O\n0.265860 0.246182 0.506989 O\n0.734140 0.246182 0.493011 O\n0.265860 0.753818 0.493011 O\n0.734140 0.753818 0.506989 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ba",
"Tb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-K-O-Tb",
"density": 6.382889579468081,
"density_atomic": 0.06002969186527544,
"volume": 666.3369202322735,
"volume_molar": 10.031936818059108,
"formula_full": "K4 Ba4 Tb4 Bi4 O24",
"formula_reduced": "KBaTbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -261.09749496,
"energy_per_atom": -6.527437374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.60949496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9999977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.113000Z",
"spacegroup": 48
}
]
}