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"structure_string": "Y4 Pt4 O14\n1.0\n0.000000 5.124835 5.124835\n5.124835 0.000000 5.124835\n5.124835 5.124835 0.000000\nY Pt O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.909073 0.340926 0.909073 O\n0.624999 0.624999 0.624999 O\n0.340926 0.340926 0.909073 O\n0.909073 0.909073 0.340926 O\n0.340926 0.909073 0.340926 O\n0.090926 0.659073 0.090926 O\n0.090926 0.090926 0.659073 O\n0.375000 0.375000 0.375000 O\n0.659073 0.659073 0.090926 O\n0.090926 0.659073 0.659073 O\n0.909073 0.340926 0.340926 O\n0.659073 0.090926 0.090926 O\n0.659073 0.090926 0.659073 O\n0.340926 0.909073 0.909073 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Pt",
"O"
],
"chemical_system": "O-Pt-Y",
"density": 8.388855246203818,
"density_atomic": 0.0817246413111918,
"volume": 269.19665411840975,
"volume_molar": 7.3688188328277135,
"formula_full": "Y4 Pt4 O14",
"formula_reduced": "Y2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8694634727272725,
"spacegroup": 227
}
]
}