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{
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{
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{
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{
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{
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{
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"id": "mp-1206118",
"created_at": "2022-09-04T14:48:30.926051Z",
"structure_string": "V2 Co2 O6\n1.0\n-2.511794 3.657688 2.294362\n2.589660 -3.593940 3.267009\n5.113979 0.113102 0.077566\nV Co O\n2 2 6\ndirect\n0.647390 0.954084 0.336781 V\n0.351569 0.045720 0.663388 V\n0.149072 0.426628 0.859285 Co\n0.852597 0.571910 0.141030 Co\n0.462723 0.237335 0.273255 O\n0.537402 0.761982 0.726969 O\n0.927647 0.766788 0.441857 O\n0.071526 0.234278 0.557197 O\n0.730465 0.237527 0.935497 O\n0.269608 0.763747 0.064742 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 5.0007948805526246,
"density_atomic": 0.09537891445197912,
"volume": 104.84497603539772,
"volume_molar": 6.313912036639918,
"formula_full": "V2 Co2 O6",
"formula_reduced": "VCoO3",
"formula_anonymous": "ABC3",
"energy": -82.12322635,
"energy_per_atom": -8.212322635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.32522635,
"band_gap": 0.1143,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.326000Z",
"spacegroup": 2
}
]
}