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"energy": -269.00210936,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:22.546000Z",
"spacegroup": 10
},
{
"id": "mp-860888",
"created_at": "2022-09-04T14:41:31.731175Z",
"structure_string": "Li4 Ni4 P12 O36\n1.0\n5.271345 0.000000 0.000000\n0.000000 10.686335 0.000000\n0.000000 0.000000 11.789197\nLi Ni P O\n4 4 12 36\ndirect\n0.100868 0.115912 0.081447 Li\n0.600868 0.384088 0.918553 Li\n0.899132 0.615912 0.418553 Li\n0.399132 0.884088 0.581447 Li\n0.596973 0.034416 0.867835 Ni\n0.096973 0.465584 0.132165 Ni\n0.403027 0.534416 0.632165 Ni\n0.903027 0.965584 0.367835 Ni\n0.875103 0.074776 0.622753 P\n0.390783 0.150518 0.360596 P\n0.082639 0.190364 0.820707 P\n0.582639 0.309636 0.179293 P\n0.890783 0.349482 0.639404 P\n0.375103 0.425224 0.377247 P\n0.124897 0.574776 0.877247 P\n0.609217 0.650518 0.139404 P\n0.917361 0.690364 0.679293 P\n0.417361 0.809636 0.320707 P\n0.109217 0.849482 0.860596 P\n0.624897 0.925224 0.122753 P\n0.506771 0.011984 0.037034 O\n0.629949 0.038986 0.679786 O\n0.549299 0.060205 0.427274 O\n0.089340 0.087785 0.720808 O\n0.128744 0.114487 0.322981 O\n0.842721 0.183349 0.890869 O\n0.331780 0.182421 0.881253 O\n0.567725 0.182534 0.251102 O\n0.873834 0.216364 0.573482 O\n0.373834 0.283636 0.426518 O\n0.067725 0.317466 0.748898 O\n0.831780 0.317579 0.118747 O\n0.342721 0.316651 0.109131 O\n0.628744 0.385514 0.677019 O\n0.589340 0.412215 0.279192 O\n0.049299 0.439795 0.572726 O\n0.129949 0.461014 0.320214 O\n0.006771 0.488016 0.962966 O\n0.493229 0.511984 0.462966 O\n0.370051 0.538986 0.820214 O\n0.450701 0.560205 0.072726 O\n0.910660 0.587785 0.779192 O\n0.871256 0.614487 0.177019 O\n0.157279 0.683349 0.609131 O\n0.668220 0.682421 0.618747 O\n0.432275 0.682534 0.248898 O\n0.126166 0.716364 0.926518 O\n0.626166 0.783636 0.073482 O\n0.932275 0.817466 0.751102 O\n0.168220 0.817579 0.381253 O\n0.657279 0.816651 0.390869 O\n0.371256 0.885513 0.822981 O\n0.410660 0.912215 0.220808 O\n0.950701 0.939795 0.927274 O\n0.870051 0.961014 0.179786 O\n0.993229 0.988016 0.537034 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.0260228716360817,
"density_atomic": 0.08432446153819596,
"volume": 664.1014834661471,
"volume_molar": 7.1416296649249125,
"formula_full": "Li4 Ni4 P12 O36",
"formula_reduced": "LiNi(PO3)3",
"formula_anonymous": "ABC3D9",
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"energy_uncorrected": -374.59287299,
"band_gap": 4.3657,
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"is_magnetic": true,
"total_magnetization": 8.0001671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.377000Z",
"spacegroup": 19
}
]
}