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"created_at": "2022-09-04T14:35:51.813795Z",
"updated_at": "2022-09-04T14:35:51.813816Z",
"structure_string": "K6 Al6 B6 O21\n1.0\n4.314808 -7.473467 0.000000\n4.314808 7.473467 -0.000000\n0.000000 -0.000000 8.425528\nK Al B O\n6 6 6 21\ndirect\n0.000000 0.314652 0.000000 K\n0.314652 0.000000 0.000000 K\n0.685348 0.685348 0.000000 K\n0.000000 0.354317 0.500000 K\n0.354317 0.000000 0.500000 K\n0.645683 0.645683 0.500000 K\n0.000000 0.000000 0.704873 Al\n0.000000 0.000000 0.295127 Al\n0.666667 0.333333 0.813182 Al\n0.333333 0.666667 0.186818 Al\n0.333333 0.666667 0.775142 Al\n0.666667 0.333333 0.224858 Al\n0.998838 0.664861 0.257973 B\n0.666023 0.001162 0.257973 B\n0.335140 0.333978 0.257973 B\n0.001162 0.666023 0.742028 B\n0.333978 0.335140 0.742028 B\n0.664861 0.998838 0.742028 B\n0.115539 0.599556 0.256564 O\n0.000000 0.000000 0.500000 O\n0.821141 0.550401 0.295363 O\n0.729260 0.178860 0.295363 O\n0.449600 0.270740 0.295363 O\n0.550401 0.821141 0.704638 O\n0.178860 0.729260 0.704638 O\n0.270740 0.449600 0.704638 O\n0.484018 0.884462 0.256564 O\n0.942105 0.784266 0.777255 O\n0.599556 0.115539 0.743437 O\n0.884462 0.484018 0.743437 O\n0.515983 0.400444 0.743437 O\n0.057896 0.842162 0.222745 O\n0.784266 0.942105 0.222745 O\n0.157839 0.215734 0.222745 O\n0.842162 0.057896 0.777255 O\n0.333333 0.666667 0.980974 O\n0.215734 0.157839 0.777255 O\n0.400444 0.515983 0.256564 O\n0.666667 0.333333 0.019026 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"K",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-K-O",
"density": 2.4365639176420815,
"density_atomic": 0.07177180833817841,
"volume": 543.3888444922221,
"volume_molar": 8.390677202425415,
"formula_full": "K6 Al6 B6 O21",
"formula_reduced": "K2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3678993282051284,
"spacegroup": 150
}
]
}