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{
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{
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{
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{
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{
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"structure_string": "Er6 B6 O18\n1.0\n3.267627 5.650225 0.000000\n-3.267627 5.650225 0.000000\n0.000000 3.706089 8.824519\nEr B O\n6 6 18\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.170304 0.658676 0.999361 Er\n0.341324 0.829696 0.500639 Er\n0.829696 0.341324 0.000639 Er\n0.658676 0.170304 0.499361 Er\n0.917802 0.841005 0.746813 B\n0.158995 0.082198 0.753187 B\n0.082198 0.158995 0.253187 B\n0.841005 0.917802 0.246813 B\n0.674552 0.325448 0.750000 B\n0.325448 0.674552 0.250000 B\n0.966386 0.782084 0.601790 O\n0.217916 0.033614 0.898210 O\n0.033614 0.217916 0.398210 O\n0.782084 0.966386 0.101790 O\n0.870158 0.683540 0.888756 O\n0.316460 0.129842 0.611244 O\n0.129842 0.316460 0.111244 O\n0.683540 0.870158 0.388756 O\n0.517046 0.386035 0.892374 O\n0.613965 0.482954 0.607626 O\n0.482954 0.613965 0.107626 O\n0.386035 0.517046 0.392374 O\n0.916733 0.301582 0.751812 O\n0.698418 0.083267 0.748188 O\n0.083267 0.698418 0.248188 O\n0.301582 0.916733 0.251812 O\n0.136379 0.863621 0.750000 O\n0.863621 0.136379 0.250000 O\n",
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{
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"energy_per_atom": -8.7855710075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.14228403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.921000Z",
"spacegroup": 221
}
]
}