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"id": "mp-1245099",
"created_at": "2022-09-04T14:40:21.802952Z",
"structure_string": "Co30 O60\n1.0\n10.737883 0.021944 -0.345025\n0.005129 10.279847 0.457334\n-0.333435 0.469602 10.437931\nCo O\n30 60\ndirect\n0.748479 0.374025 0.954681 Co\n0.540507 0.079983 0.483097 Co\n0.174592 0.509737 0.201363 Co\n0.234804 0.753743 0.003339 Co\n0.619471 0.371120 0.498934 Co\n0.276514 0.255847 0.394501 Co\n0.757337 0.573543 0.746756 Co\n0.923930 0.007688 0.565638 Co\n-0.004567 0.271484 0.180521 Co\n0.983510 0.554462 0.987835 Co\n0.246153 0.256813 0.728306 Co\n0.625859 0.622171 0.335036 Co\n0.914787 0.012013 0.079617 Co\n0.174946 0.229973 0.012033 Co\n0.232380 0.044202 0.571791 Co\n0.082791 0.824926 0.424709 Co\n0.469158 0.501847 0.663758 Co\n0.558398 0.784261 0.068390 Co\n0.470990 0.269000 0.882676 Co\n0.995240 0.334611 0.806496 Co\n0.356741 0.974327 0.891739 Co\n0.624362 0.124859 0.025214 Co\n0.761623 0.852876 0.917823 Co\n0.117834 0.582163 0.752200 Co\n0.693134 0.893495 0.266853 Co\n0.838897 0.618572 0.204572 Co\n0.831154 0.336715 0.381739 Co\n0.041986 0.000012 0.824732 Co\n0.490576 0.200191 0.229284 Co\n0.740939 0.182649 0.715862 Co\n0.198432 0.908252 0.898014 O\n0.391086 0.840759 0.023548 O\n0.879987 0.076653 0.709172 O\n0.824528 0.227151 0.214645 O\n0.782353 0.306233 0.547787 O\n0.765540 0.939612 0.530453 O\n0.518955 0.264126 0.054844 O\n0.080477 0.989508 0.653358 O\n0.642811 0.492642 0.623851 O\n0.091568 0.181542 0.842259 O\n0.731545 0.255478 0.118161 O\n0.379366 0.662850 0.822250 O\n0.192217 0.224374 0.546916 O\n0.547595 0.773338 0.251546 O\n0.597494 0.155327 0.630420 O\n0.650374 0.248635 0.869028 O\n0.365257 0.111285 0.469185 O\n0.503827 0.498113 0.405493 O\n0.223519 0.655101 0.606086 O\n0.126944 0.399901 0.719669 O\n0.579793 0.250202 0.375363 O\n0.792111 0.733416 0.821457 O\n0.751026 0.017534 0.984211 O\n0.224506 0.903109 0.495355 O\n0.098555 0.385818 0.079976 O\n0.106135 0.656499 0.921581 O\n0.118156 0.849198 0.149850 O\n0.304863 0.274395 0.920883 O\n0.216103 0.416916 0.348390 O\n0.762990 0.719180 0.339579 O\n0.052388 0.129267 0.102416 O\n0.989288 0.713692 0.368943 O\n0.473846 0.667854 0.739218 O\n0.418389 0.337046 0.714341 O\n0.005243 0.609769 0.154802 O\n0.585588 0.046494 0.180809 O\n0.568060 0.799044 0.551332 O\n0.853702 0.947130 0.222938 O\n0.278188 0.621202 0.121738 O\n0.424202 0.552277 0.489374 O\n0.489991 0.888800 0.525918 O\n0.857560 0.658887 0.599491 O\n0.177205 0.853960 0.256946 O\n0.843723 0.486629 0.050869 O\n0.193208 0.664157 0.484968 O\n0.591317 0.837703 0.907650 O\n0.726474 0.745212 0.090752 O\n0.309853 0.079487 0.740048 O\n0.655761 0.500318 0.881949 O\n0.314378 0.550244 0.816978 O\n0.941593 0.910237 0.934926 O\n0.962149 0.707635 0.633280 O\n0.326482 0.233089 0.232005 O\n0.737649 0.489612 0.297527 O\n0.492677 0.075907 0.911475 O\n0.698682 -0.001391 0.422428 O\n0.986750 0.329190 0.339018 O\n0.874733 0.271115 0.902576 O\n0.987732 0.978722 0.423150 O\n0.941149 0.505624 0.817185 O\n",
"nsites": 90,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 3.9435411419353223,
"density_atomic": 0.07835050751210058,
"volume": 1148.6843271066273,
"volume_molar": 7.686154118491104,
"formula_full": "Co30 O60",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -541.50913902,
"energy_per_atom": -6.016768211333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -492.3691390199999,
"band_gap": 0.0635999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 75.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.051000Z",
"spacegroup": 1
}
]
}