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"structure_string": "Tm4 Al4 O12\n1.0\n5.134160 -0.000000 0.000000\n0.000000 5.360715 0.000000\n0.000000 0.000000 7.356357\nTm Al O\n4 4 12\ndirect\n0.015585 0.937886 0.750000 Tm\n0.484415 0.437886 0.750000 Tm\n0.515585 0.562115 0.250000 Tm\n0.984415 0.062115 0.250000 Tm\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.800342 0.798759 0.050092 O\n0.699658 0.298759 0.449908 O\n0.699658 0.298759 0.050092 O\n0.596283 0.028720 0.750000 O\n0.403717 0.971281 0.250000 O\n0.199658 0.201242 0.550092 O\n0.300342 0.701242 0.949909 O\n0.199658 0.201242 0.949909 O\n0.800342 0.798759 0.449908 O\n0.096283 0.471280 0.250000 O\n0.300342 0.701242 0.550092 O\n0.903717 0.528721 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tm",
"Al",
"O"
],
"chemical_system": "Al-O-Tm",
"density": 8.001857460364345,
"density_atomic": 0.09878137814793068,
"volume": 202.46731089384957,
"volume_molar": 6.096433227507219,
"formula_full": "Tm4 Al4 O12",
"formula_reduced": "TmAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.45450351,
"spacegroup": 62
}
]
}