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{
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{
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"structure_string": "Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n",
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{
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{
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{
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],
"chemical_system": "Al-B-O",
"density": 2.86307381804819,
"density_atomic": 0.08927015412017306,
"volume": 336.0585662215259,
"volume_molar": 6.745973297966035,
"formula_full": "Al10 B2 O18",
"formula_reduced": "Al5BO9",
"formula_anonymous": "AB5C9",
"energy_above_hull": 2.6536958722222224,
"spacegroup": 36
}
]
}