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"structure_string": "Ca4 Ta2 Sb2 O12\n1.0\n0.000000 5.682798 -0.012437\n7.995763 0.000000 0.000000\n0.000000 -0.086123 -5.929838\nCa Ta Sb O\n4 2 2 12\ndirect\n0.487432 0.750000 0.443958 Ca\n0.512569 0.250000 0.556042 Ca\n0.006302 0.750000 0.940316 Ca\n0.993699 0.250000 0.059684 Ca\n0.500000 0.500000 0.000000 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.337270 0.557943 0.711230 O\n0.602996 0.750000 0.043380 O\n0.662731 0.057943 0.288771 O\n0.134152 0.250000 0.435525 O\n0.208685 0.942237 0.166846 O\n0.791316 0.057763 0.833155 O\n0.208685 0.557763 0.166846 O\n0.337270 0.942056 0.711230 O\n0.865849 0.750000 0.564476 O\n0.662731 0.442056 0.288771 O\n0.791316 0.442237 0.833155 O\n0.397005 0.250000 0.956620 O\n",
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],
"chemical_system": "Ca-Ir-O-Ti",
"density": 5.991201763162093,
"density_atomic": 0.08668117529315249,
"volume": 230.73060479810928,
"volume_molar": 6.947460898670727,
"formula_full": "Ca4 Ti2 Ir2 O12",
"formula_reduced": "Ca2TiIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.376288127333333,
"spacegroup": 14
}
]
}