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"created_at": "2022-09-04T14:38:34.982441Z",
"updated_at": "2022-09-04T14:38:34.982466Z",
"structure_string": "Ca4 N8 O24\n1.0\n7.540656 -0.000000 0.000000\n0.000000 7.540656 -0.000000\n0.000000 0.000000 7.540656\nCa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.840046 0.159955 0.659955 N\n0.159955 0.659955 0.840046 N\n0.659955 0.659955 0.659955 N\n0.659955 0.840046 0.159955 N\n0.159955 0.840046 0.340045 N\n0.340045 0.159955 0.840046 N\n0.340045 0.340045 0.340045 N\n0.840046 0.340045 0.159955 N\n0.782290 0.023886 0.739310 O\n0.282290 0.023886 0.760691 O\n0.023886 0.760691 0.282290 O\n0.782290 0.476114 0.239310 O\n0.717710 0.523886 0.739310 O\n0.523886 0.739310 0.717710 O\n0.739310 0.717710 0.523886 O\n0.239310 0.717710 0.976114 O\n0.739310 0.782290 0.023886 O\n0.760691 0.217710 0.523886 O\n0.523886 0.760691 0.217710 O\n0.476114 0.260690 0.282290 O\n0.717710 0.976114 0.239310 O\n0.976114 0.239310 0.717710 O\n0.217710 0.523886 0.760691 O\n0.282290 0.476114 0.260690 O\n0.976114 0.260690 0.217710 O\n0.260690 0.282290 0.476114 O\n0.260690 0.217710 0.976114 O\n0.239310 0.782290 0.476114 O\n0.217710 0.976114 0.260690 O\n0.760691 0.282290 0.023886 O\n0.023886 0.739310 0.782290 O\n0.476114 0.239310 0.782290 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ca",
"N",
"O"
],
"chemical_system": "Ca-N-O",
"density": 2.541897266326327,
"density_atomic": 0.0839605188594747,
"volume": 428.77295768328264,
"volume_molar": 7.172586403472921,
"formula_full": "Ca4 N8 O24",
"formula_reduced": "Ca(NO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.0755331022222223,
"spacegroup": 205
}
]
}