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"created_at": "2022-09-04T14:38:07.750974Z",
"updated_at": "2022-09-04T14:38:07.751001Z",
"structure_string": "Ba1 Y1 Cu1 Sn1 O5\n1.0\n3.984690 0.000000 0.000000\n0.000000 3.984690 0.000000\n0.000000 0.000000 8.405146\nBa Y Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.032630 Ba\n0.000000 0.000000 0.442637 Y\n0.499999 0.499999 0.277921 Cu\n0.499999 0.499999 0.700004 Sn\n0.000000 0.499999 0.618246 O\n0.499999 0.000000 0.618246 O\n0.000000 0.499999 0.279622 O\n0.499999 0.000000 0.279622 O\n0.499999 0.499999 0.938989 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Sn",
"O"
],
"chemical_system": "Ba-Cu-O-Sn-Y",
"density": 6.078084646442206,
"density_atomic": 0.06743854130932787,
"volume": 133.45484385136234,
"volume_molar": 8.929820608630273,
"formula_full": "Ba1 Y1 Cu1 Sn1 O5",
"formula_reduced": "BaYCuSnO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.675342341111111,
"spacegroup": 99
}
]
}