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{
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{
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"created_at": "2022-09-04T14:37:52.712863Z",
"updated_at": "2022-09-04T14:37:52.712885Z",
"structure_string": "Co1 P2 O7\n1.0\n4.930251 0.038277 0.670352\n-1.007740 4.826313 0.670352\n0.061205 0.075905 4.379750\nCo P O\n1 2 7\ndirect\n0.053662 0.946339 0.499999 Co\n0.204027 0.386264 0.908308 P\n0.613737 0.795974 0.091691 P\n0.497279 0.502721 -0.000000 O\n0.002446 0.242963 0.218348 O\n0.757038 0.997555 0.781651 O\n0.080357 0.624240 0.773656 O\n0.804641 0.713971 0.320933 O\n0.375761 0.919643 0.226343 O\n0.286030 0.195360 0.679066 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.72234717625008,
"density_atomic": 0.09625916239633062,
"volume": 103.88621458003875,
"volume_molar": 6.256174072245576,
"formula_full": "Co1 P2 O7",
"formula_reduced": "CoP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.95413864,
"spacegroup": 5
}
]
}