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{
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"id": "mp-555910",
"created_at": "2022-09-04T14:46:00.722798Z",
"structure_string": "Li4 Yb10 B6 O26\n1.0\n3.522694 0.000000 0.000000\n0.000000 10.536353 0.000000\n0.000000 4.943545 15.131397\nLi Yb B O\n4 10 6 26\ndirect\n0.250000 0.752815 0.753817 Li\n0.250000 0.389761 0.050101 Li\n0.750000 0.610239 0.949899 Li\n0.750000 0.247185 0.246183 Li\n0.750000 0.809606 0.205369 Yb\n0.250000 0.840807 0.995805 Yb\n0.750000 0.029282 0.619376 Yb\n0.250000 0.472528 0.300701 Yb\n0.750000 0.660630 0.441854 Yb\n0.750000 0.159193 0.004195 Yb\n0.250000 0.339370 0.558146 Yb\n0.250000 0.190394 0.794631 Yb\n0.250000 0.970718 0.380624 Yb\n0.750000 0.527472 0.699299 Yb\n0.250000 0.582015 0.113764 B\n0.750000 0.903289 0.819546 B\n0.750000 0.417985 0.886236 B\n0.250000 0.785154 0.576035 B\n0.250000 0.096711 0.180454 B\n0.750000 0.214846 0.423965 B\n0.250000 0.146891 0.249974 O\n0.750000 0.084805 0.422842 O\n0.250000 0.686969 0.150987 O\n0.250000 0.395788 0.686098 O\n0.250000 0.959064 0.196423 O\n0.750000 0.862114 0.337778 O\n0.750000 0.549946 0.836514 O\n0.750000 0.317721 0.345502 O\n0.250000 0.068075 0.947471 O\n0.250000 0.450054 0.163486 O\n0.750000 0.313031 0.849013 O\n0.750000 0.853109 0.750026 O\n0.250000 0.179842 0.094920 O\n0.750000 0.040936 0.803577 O\n0.250000 0.522541 0.429968 O\n0.250000 0.761596 0.495577 O\n0.750000 0.477459 0.570032 O\n0.250000 0.682279 0.654498 O\n0.250000 0.609956 0.022269 O\n0.250000 0.915195 0.577158 O\n0.750000 0.390044 0.977731 O\n0.750000 0.931925 0.052529 O\n0.750000 0.604212 0.313902 O\n0.750000 0.238404 0.504423 O\n0.250000 0.137886 0.662222 O\n0.750000 0.820158 0.905080 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Yb",
"B",
"O"
],
"chemical_system": "B-Li-O-Yb",
"density": 6.620056959637208,
"density_atomic": 0.08190559577199608,
"volume": 561.6221891365282,
"volume_molar": 7.352538862868513,
"formula_full": "Li4 Yb10 B6 O26",
"formula_reduced": "Li2Yb5B3O13",
"formula_anonymous": "A2B3C5D13",
"energy": -321.67159686,
"energy_per_atom": -6.9928608013043485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.80959686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0059048,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.577000Z",
"spacegroup": 11
}
]
}