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{
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{
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"structure_string": "Li8 Ti4 V6 Cr8 O36\n1.0\n2.976945 0.000000 0.000000\n0.000000 8.962609 0.000000\n0.000000 0.000000 24.984886\nLi Ti V Cr O\n8 4 6 8 36\ndirect\n0.000000 0.187791 0.493810 Li\n0.000000 0.208038 0.690039 Li\n0.000000 0.291962 0.190039 Li\n0.000000 0.312209 0.993810 Li\n0.000000 0.687791 0.006190 Li\n0.000000 0.708038 0.809961 Li\n0.000000 0.791962 0.309961 Li\n0.000000 0.812209 0.506190 Li\n0.000000 0.993161 0.602586 Ti\n0.000000 0.506839 0.102586 Ti\n0.000000 0.493161 0.897414 Ti\n0.000000 0.006839 0.397414 Ti\n0.000000 0.000000 0.000000 V\n0.500000 0.145366 0.302550 V\n0.500000 0.354634 0.802550 V\n0.000000 0.500000 0.500000 V\n0.500000 0.645366 0.197450 V\n0.500000 0.854634 0.697450 V\n0.000000 0.019082 0.810621 Cr\n0.500000 0.148371 0.086282 Cr\n0.500000 0.351629 0.586282 Cr\n0.000000 0.480918 0.310621 Cr\n0.000000 0.519082 0.689379 Cr\n0.500000 0.648371 0.413718 Cr\n0.500000 0.851629 0.913718 Cr\n0.000000 0.980918 0.189379 Cr\n0.000000 0.999536 0.924184 O\n0.000000 0.000464 0.075816 O\n0.500000 0.060786 0.441760 O\n0.500000 0.045831 0.659751 O\n0.500000 0.113267 0.164644 O\n0.000000 0.090833 0.256244 O\n0.500000 0.150439 0.004678 O\n0.500000 0.152478 0.784826 O\n0.000000 0.187731 0.353681 O\n0.000000 0.201872 0.585670 O\n0.000000 0.298128 0.085670 O\n0.000000 0.312269 0.853681 O\n0.500000 0.347522 0.284826 O\n0.500000 0.349561 0.504678 O\n0.000000 0.409167 0.756244 O\n0.500000 0.386733 0.664644 O\n0.500000 0.454169 0.159751 O\n0.500000 0.439214 0.941760 O\n0.000000 0.499536 0.575816 O\n0.000000 0.500464 0.424184 O\n0.500000 0.560786 0.058240 O\n0.500000 0.545831 0.840249 O\n0.500000 0.613267 0.335356 O\n0.000000 0.590833 0.243756 O\n0.500000 0.650439 0.495322 O\n0.500000 0.652478 0.715174 O\n0.000000 0.687731 0.146319 O\n0.000000 0.701872 0.914330 O\n0.000000 0.798128 0.414330 O\n0.000000 0.812269 0.646319 O\n0.500000 0.847522 0.215174 O\n0.500000 0.849561 0.995322 O\n0.000000 0.909167 0.743756 O\n0.500000 0.886733 0.835356 O\n0.500000 0.954169 0.340249 O\n0.500000 0.939214 0.558240 O\n",
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"elements": [
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"density_atomic": 0.09300559079800567,
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"volume_molar": 6.475030918387686,
"formula_full": "Li8 Ti4 V6 Cr8 O36",
"formula_reduced": "Li4Ti2V3Cr4O18",
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"formation_energy": null,
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"band_gap": 1.5306000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.344000Z",
"spacegroup": 55
},
{
"id": "mp-14026",
"created_at": "2022-09-04T14:46:40.549282Z",
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"elements": [
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"chemical_system": "Ca-O-Ta",
"density": 6.294392484088424,
"density_atomic": 0.07525759937659963,
"volume": 292.3292821221801,
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"formula_full": "Ca4 Ta4 O14",
"formula_reduced": "Ca2Ta2O7",
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"updated_at": "2021-11-28T01:37:45.034000Z",
"spacegroup": 227
}
]
}