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"created_at": "2022-09-04T14:36:53.915625Z",
"updated_at": "2022-09-04T14:36:53.915643Z",
"structure_string": "Dy4 Zr4 O14\n1.0\n-0.000000 5.263803 5.263803\n5.263803 -0.000000 5.263803\n5.263803 5.263803 -0.000000\nDy Zr O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Dy\n0.625000 0.125000 0.125000 Dy\n0.125000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Zr\n0.625000 0.125000 0.625000 Zr\n0.125000 0.625000 0.625000 Zr\n0.625000 0.625000 0.625000 Zr\n0.965845 0.965845 0.534154 O\n0.965845 0.534154 0.965845 O\n0.534154 0.965845 0.534154 O\n0.284154 0.715846 0.715846 O\n0.965845 0.534154 0.534154 O\n0.715846 0.284154 0.715846 O\n0.715846 0.284154 0.284154 O\n0.284154 0.715846 0.284154 O\n0.715846 0.715846 0.284154 O\n0.534154 0.534154 0.965845 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.284154 0.284154 0.715846 O\n0.534154 0.965845 0.965845 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Zr",
"O"
],
"chemical_system": "Dy-O-Zr",
"density": 7.052646660906825,
"density_atomic": 0.07542126344782618,
"volume": 291.6949278530562,
"volume_molar": 7.98467233867795,
"formula_full": "Dy4 Zr4 O14",
"formula_reduced": "Dy2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.774382409090909,
"spacegroup": 227
}
]
}