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"created_at": "2022-09-04T14:36:09.845166Z",
"updated_at": "2022-09-04T14:36:09.845176Z",
"structure_string": "Al10 B2 O18\n1.0\n2.863969 -7.559596 0.000000\n2.863969 7.559596 0.000000\n0.000000 0.000000 7.761007\nAl B O\n10 2 18\ndirect\n0.367492 0.135893 0.667934 Al\n0.297061 0.702939 0.833794 Al\n0.556135 0.443865 0.983611 Al\n0.443865 0.556135 0.483611 Al\n0.744726 0.255275 0.981680 Al\n0.702939 0.297061 0.333794 Al\n0.864107 0.632508 0.667934 Al\n0.135893 0.367492 0.167934 Al\n0.632508 0.864107 0.167934 Al\n0.255275 0.744726 0.481679 Al\n0.015525 0.984476 0.946010 B\n0.984476 0.015525 0.446010 B\n0.953963 0.046037 0.074575 O\n0.742264 0.837809 0.381697 O\n0.257737 0.162191 0.881697 O\n0.808989 0.191011 0.232285 O\n0.191011 0.808989 0.732286 O\n0.648140 0.351861 0.129597 O\n0.351861 0.648140 0.629597 O\n0.046037 0.953963 0.574576 O\n0.446679 0.067186 0.467178 O\n0.454536 0.545464 0.095653 O\n0.932814 0.553321 0.467178 O\n0.067186 0.446679 0.967179 O\n0.553321 0.932814 0.967179 O\n0.162191 0.257737 0.381697 O\n0.669575 0.330425 0.798578 O\n0.330425 0.669575 0.298578 O\n0.545464 0.454536 0.595653 O\n0.837809 0.742264 0.881697 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Al",
"B",
"O"
],
"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
}
]
}