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"created_at": "2022-09-04T14:38:44.671559Z",
"updated_at": "2022-09-04T14:38:44.671587Z",
"structure_string": "K1 Ba3 Y2 Co6 O16\n1.0\n5.344507 0.022442 -10.780124\n-0.273276 5.337563 -10.780124\n-0.021233 -0.022442 12.032223\nK Ba Y Co O\n1 3 2 6 16\ndirect\n0.413872 0.413871 -0.000000 K\n0.913572 0.913572 -0.000000 Ba\n0.085338 0.085338 -0.000000 Ba\n0.582959 0.582959 -0.000000 Ba\n0.750237 0.750237 -0.000000 Y\n0.252544 0.252544 -0.000000 Y\n0.495920 0.995919 0.500000 Co\n0.995920 0.495920 0.500000 Co\n0.671831 0.171830 0.500000 Co\n0.830505 0.330504 0.500000 Co\n0.330504 0.830504 0.500000 Co\n0.171830 0.671830 0.500000 Co\n0.438676 0.438675 0.499093 O\n0.751661 0.751660 0.503859 O\n0.247803 0.247802 0.496141 O\n0.939582 0.438675 0.000000 O\n0.438675 0.939582 -0.000001 O\n0.939582 0.939582 0.500906 O\n0.060515 0.563459 -0.000000 O\n0.911677 0.411676 0.500000 O\n0.060515 0.060515 0.497056 O\n0.563460 0.563459 0.502944 O\n0.589112 0.089111 0.500000 O\n0.089111 0.589111 0.500000 O\n0.247802 0.751660 -0.000001 O\n0.411676 0.911676 0.500000 O\n0.563460 0.060515 0.000000 O\n0.751661 0.247802 0.000000 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"K",
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-K-O-Y",
"density": 6.035579455098022,
"density_atomic": 0.08217480986892711,
"volume": 340.73702202245903,
"volume_molar": 7.328451102723101,
"formula_full": "K1 Ba3 Y2 Co6 O16",
"formula_reduced": "KBa3Y2(Co3O8)2",
"formula_anonymous": "AB2C3D6E16",
"energy_above_hull": 2.7896585075000004,
"spacegroup": 107
}
]
}