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"created_at": "2022-09-04T14:38:28.534167Z",
"updated_at": "2022-09-04T14:38:28.534185Z",
"structure_string": "Pr4 Zr4 O14\n1.0\n6.612214 0.000000 3.817563\n2.204071 6.234055 3.817563\n0.000000 0.000000 7.635127\nPr Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.500000 -0.000000 -0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n0.000000 0.500000 -0.000000 Zr\n0.916487 0.333512 0.333512 O\n0.333512 0.333512 0.916488 O\n0.666487 0.666487 0.083512 O\n0.083512 0.666487 0.083512 O\n0.916487 0.333512 0.916488 O\n0.625000 0.625000 0.625000 O\n0.916487 0.916487 0.333512 O\n0.333512 0.916487 0.333513 O\n0.666487 0.083512 0.083512 O\n0.083512 0.083512 0.666488 O\n0.666487 0.083512 0.666488 O\n0.333512 0.916487 0.916488 O\n0.083512 0.666487 0.666488 O\n0.375000 0.375000 0.375000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Zr",
"O"
],
"chemical_system": "O-Pr-Zr",
"density": 6.0808332476129126,
"density_atomic": 0.06990188466378171,
"volume": 314.7268504392539,
"volume_molar": 8.61513361043934,
"formula_full": "Pr4 Zr4 O14",
"formula_reduced": "Pr2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8407948363636364,
"spacegroup": 227
}
]
}