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"structure_string": "Y6 Fe16 O1\n1.0\n7.103179 -0.000000 -2.511354\n-3.551589 6.151534 -2.511354\n0.000000 0.000000 7.534060\nY Fe O\n6 16 1\ndirect\n-0.000000 0.274826 0.274826 Y\n0.274826 -0.000000 0.274826 Y\n0.725174 -0.000000 0.725175 Y\n0.725174 0.725174 0.000000 Y\n0.274826 0.274826 0.000000 Y\n-0.000000 0.725174 0.725174 Y\n0.333347 0.666692 0.333347 Fe\n0.333347 0.666653 0.000000 Fe\n0.333347 -0.000000 0.666653 Fe\n0.333347 0.333347 0.666693 Fe\n-0.000000 0.333347 0.666653 Fe\n-0.000000 0.666653 0.333347 Fe\n0.666653 0.333347 0.000000 Fe\n0.666653 -0.000000 0.333347 Fe\n0.666653 0.333307 0.666654 Fe\n0.666693 0.333347 0.333347 Fe\n0.333307 0.666653 0.666653 Fe\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.666653 0.666653 0.333308 Fe\n0.000000 0.000000 0.000000 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 7.2784092611635565,
"density_atomic": 0.06986546818901923,
"volume": 329.2041203785265,
"volume_molar": 8.619624137789005,
"formula_full": "Y6 Fe16 O1",
"formula_reduced": "Y6Fe16O",
"formula_anonymous": "AB6C16",
"energy_above_hull": 4.124280182608695,
"spacegroup": 229
}
]
}