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{
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{
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{
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"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.002000Z",
"spacegroup": 216
},
{
"id": "mp-1522815",
"created_at": "2022-09-04T14:43:21.792894Z",
"structure_string": "K1 Ba1 La1 Mn1 O6\n1.0\n-0.000000 -4.282862 -4.282862\n4.282862 0.000000 -4.282862\n4.282862 -4.282862 0.000000\nK Ba La Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.000000 -0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.724636 0.275364 0.275364 O\n0.275364 0.724636 0.724636 O\n0.724636 0.275364 0.724636 O\n0.275364 0.724636 0.275364 O\n0.724636 0.724636 0.275364 O\n0.275364 0.275364 0.724636 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-K-La-Mn-O",
"density": 4.927763716868012,
"density_atomic": 0.06364550858732886,
"volume": 157.1202779576954,
"volume_molar": 9.46200430111567,
"formula_full": "K1 Ba1 La1 Mn1 O6",
"formula_reduced": "KBaLaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -70.57614199000001,
"energy_per_atom": -7.057614199000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.78614199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.371000Z",
"spacegroup": 216
}
]
}