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"created_at": "2022-09-04T14:38:14.928256Z",
"updated_at": "2022-09-04T14:38:14.928269Z",
"structure_string": "Li12 Be6 F24\n1.0\n7.864062 0.001298 -2.519110\n-3.452506 7.065669 -2.519108\n0.000811 0.001297 8.257687\nLi Be F\n12 6 24\ndirect\n0.275620 0.102056 0.877010 Li\n0.102055 0.877010 0.275620 Li\n0.877009 0.275620 0.102056 Li\n0.724380 0.897945 0.122990 Li\n0.897944 0.122991 0.724381 Li\n0.122990 0.724381 0.897945 Li\n0.611999 0.438875 0.203643 Li\n0.438874 0.203643 0.612000 Li\n0.203642 0.612000 0.438875 Li\n0.388000 0.561126 0.796358 Li\n0.561125 0.796358 0.388000 Li\n0.796357 0.388001 0.561126 Li\n0.461694 0.053450 0.234010 Be\n0.234009 0.461694 0.053449 Be\n0.053449 0.234010 0.461694 Be\n0.538306 0.946551 0.765990 Be\n0.765990 0.538307 0.946551 Be\n0.946550 0.765991 0.538306 Be\n0.036188 0.362988 0.356717 F\n0.643283 0.963813 0.637012 F\n0.637012 0.643284 0.963812 F\n0.963812 0.637013 0.643284 F\n0.573068 0.930162 0.243314 F\n0.243314 0.573069 0.930162 F\n0.930161 0.243315 0.573068 F\n0.426932 0.069839 0.756686 F\n0.756685 0.426932 0.069839 F\n0.069838 0.756686 0.426932 F\n0.307448 0.975316 0.026699 F\n0.267225 0.311531 0.603993 F\n0.975315 0.026700 0.307449 F\n0.692551 0.024685 0.973301 F\n0.973300 0.692552 0.024684 F\n0.024684 0.973301 0.692552 F\n0.732775 0.688470 0.396007 F\n0.688469 0.396007 0.732775 F\n0.396006 0.732776 0.688469 F\n0.362988 0.356717 0.036188 F\n0.311530 0.603993 0.267225 F\n0.603993 0.267225 0.311531 F\n0.026699 0.307449 0.975316 F\n0.356717 0.036188 0.362988 F\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Li",
"Be",
"F"
],
"chemical_system": "Be-F-Li",
"density": 2.1468451982084242,
"density_atomic": 0.09151809687848712,
"volume": 458.9256270895293,
"volume_molar": 6.58027315405813,
"formula_full": "Li12 Be6 F24",
"formula_reduced": "Li2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 148
}
]
}