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{
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{
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{
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"structure_string": "Cr2 Cu1 N4 O8\n1.0\n6.027315 0.000000 0.000000\n-2.165980 6.836553 0.000000\n-0.264423 -2.958506 7.340572\nCr Cu N O\n2 1 4 8\ndirect\n0.688505 0.285928 0.212021 Cr\n0.311495 0.714072 0.787979 Cr\n0.000000 0.000000 0.000000 Cu\n0.031726 0.993640 0.238433 N\n0.968274 0.006360 0.761567 N\n0.354835 0.649474 0.264101 N\n0.645165 0.350526 0.735899 N\n0.619154 0.147223 0.340077 O\n0.380846 0.852777 0.659923 O\n0.444072 0.239575 0.076447 O\n0.555928 0.760425 0.923553 O\n0.908090 0.229298 0.086370 O\n0.091910 0.770702 0.913630 O\n0.782738 0.536322 0.342647 O\n0.217262 0.463678 0.657353 O\n",
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{
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"spacegroup": 81
},
{
"id": "mp-556708",
"created_at": "2022-09-04T14:40:16.649055Z",
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"nsites": 128,
"nelements": 4,
"elements": [
"K",
"U",
"P",
"O"
],
"chemical_system": "K-O-P-U",
"density": 3.6499618427375817,
"density_atomic": 0.06440702562703202,
"volume": 1987.3608314288872,
"volume_molar": 9.350130209199524,
"formula_full": "K8 U8 P24 O88",
"formula_reduced": "KUP3O11",
"formula_anonymous": "ABC3D11",
"energy": -1037.65740302,
"energy_per_atom": -8.10669846109375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -977.20140302,
"band_gap": 2.1775,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2192465,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.852000Z",
"spacegroup": 11
}
]
}