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{
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{
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{
"id": "mp-1519497",
"created_at": "2022-09-04T14:39:16.435632Z",
"structure_string": "K4 Sr4 Nd4 Mn4 O24\n1.0\n8.426559 0.000000 0.000000\n0.000000 8.414896 0.000000\n0.000000 0.000000 8.433225\nK Sr Nd Mn 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 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.750000 0.250000 Mn\n0.750000 0.250000 0.250000 Mn\n0.975139 0.240389 0.259072 O\n0.024861 0.759611 0.259072 O\n0.024861 0.240389 0.740928 O\n0.975139 0.759611 0.740928 O\n0.260713 0.977113 0.224353 O\n0.260713 0.022887 0.775647 O\n0.739287 0.022887 0.224353 O\n0.739287 0.977113 0.775647 O\n0.238590 0.246910 0.976336 O\n0.761410 0.246910 0.023664 O\n0.238590 0.753090 0.023664 O\n0.761410 0.753090 0.976336 O\n0.524861 0.259611 0.240928 O\n0.475139 0.740389 0.240928 O\n0.475139 0.259611 0.759072 O\n0.524861 0.740389 0.759072 O\n0.239287 0.522887 0.275647 O\n0.239287 0.477113 0.724353 O\n0.760713 0.477113 0.275647 O\n0.760713 0.522887 0.724353 O\n0.261410 0.253090 0.523664 O\n0.738590 0.253090 0.476336 O\n0.261410 0.746910 0.476336 O\n0.738590 0.746910 0.523664 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nd",
"Mn",
"O"
],
"chemical_system": "K-Mn-Nd-O-Sr",
"density": 4.686196533321011,
"density_atomic": 0.06689093783909471,
"volume": 597.9883268525773,
"volume_molar": 9.00292469285777,
"formula_full": "K4 Sr4 Nd4 Mn4 O24",
"formula_reduced": "KSrNdMnO6",
"formula_anonymous": "ABCDE6",
"energy": -278.90158808,
"energy_per_atom": -6.972539702000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.74158808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.021000Z",
"spacegroup": 48
}
]
}