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{
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},
{
"id": "mp-771134",
"created_at": "2022-09-04T14:42:29.502126Z",
"structure_string": "Co8 P8 O32\n1.0\n5.428335 0.000000 0.000000\n0.000000 9.067328 0.000000\n0.000000 0.700940 17.895837\nCo P O\n8 8 32\ndirect\n0.263594 0.417701 0.091368 Co\n0.722346 0.905252 0.162327 Co\n0.222346 0.094748 0.337673 Co\n0.763594 0.582299 0.408632 Co\n0.236406 0.417701 0.591368 Co\n0.777654 0.905252 0.662327 Co\n0.277654 0.094748 0.837673 Co\n0.736406 0.582299 0.908632 Co\n0.759525 0.579316 0.095057 P\n0.225816 0.090393 0.155768 P\n0.725816 0.909607 0.344232 P\n0.259525 0.420684 0.404943 P\n0.740475 0.579316 0.595057 P\n0.274184 0.090393 0.655768 P\n0.774184 0.909607 0.844232 P\n0.240475 0.420684 0.904943 P\n0.749432 0.550912 0.011246 O\n0.315394 0.215889 0.101416 O\n0.799748 0.744953 0.106601 O\n0.972458 0.487590 0.130750 O\n0.515666 0.527263 0.133149 O\n0.956561 0.050376 0.136961 O\n0.394184 0.954197 0.146112 O\n0.244406 0.144978 0.236250 O\n0.744406 0.855022 0.263750 O\n0.894184 0.045803 0.353888 O\n0.456561 0.949624 0.363039 O\n0.015666 0.472737 0.366851 O\n0.472458 0.512410 0.369250 O\n0.299748 0.255047 0.393399 O\n0.815394 0.784111 0.398584 O\n0.249432 0.449088 0.488754 O\n0.750568 0.550912 0.511246 O\n0.184606 0.215889 0.601416 O\n0.700252 0.744953 0.606601 O\n0.527542 0.487590 0.630750 O\n0.984334 0.527263 0.633149 O\n0.543439 0.050376 0.636961 O\n0.105816 0.954197 0.646112 O\n0.255594 0.144978 0.736250 O\n0.755594 0.855022 0.763750 O\n0.605816 0.045803 0.853888 O\n0.043439 0.949624 0.863039 O\n0.484334 0.472737 0.866851 O\n0.027542 0.512410 0.869250 O\n0.200252 0.255047 0.893399 O\n0.684606 0.784111 0.898584 O\n0.250568 0.449088 0.988754 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.3210932069444743,
"density_atomic": 0.05449331827437669,
"volume": 880.8419365896845,
"volume_molar": 11.051154436362657,
"formula_full": "Co8 P8 O32",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -358.15820345000003,
"energy_per_atom": -7.461629238541668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.07020345,
"band_gap": 0.8261,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9992065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.308000Z",
"spacegroup": 14
}
]
}