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"created_at": "2022-09-04T14:35:56.071482Z",
"updated_at": "2022-09-04T14:35:56.071503Z",
"structure_string": "La2 Sc6 B8 O24\n1.0\n4.969314 3.880945 -0.016652\n-4.969314 3.880945 -0.016652\n0.000000 3.171776 11.659142\nLa Sc B O\n2 6 8 24\ndirect\n0.964378 0.035624 0.750000 La\n0.035624 0.964377 0.250000 La\n0.700764 0.201733 0.025605 Sc\n0.299237 0.798269 0.974396 Sc\n0.201733 0.700765 0.525605 Sc\n0.424414 0.575587 0.750000 Sc\n0.575587 0.424414 0.250000 Sc\n0.798268 0.299237 0.474396 Sc\n0.104369 0.493649 0.225690 B\n0.221156 0.271294 0.999554 B\n0.506352 0.895632 0.274310 B\n0.895633 0.506352 0.774310 B\n0.493650 0.104369 0.725690 B\n0.778846 0.728707 0.000446 B\n0.271294 0.221156 0.499554 B\n0.728708 0.778846 0.500446 B\n0.190726 0.007843 0.566715 O\n0.992159 0.809276 0.933285 O\n0.809276 0.992159 0.433285 O\n0.007842 0.190725 0.066715 O\n0.433938 0.892163 0.793963 O\n0.107839 0.566063 0.706037 O\n0.566063 0.107839 0.206037 O\n0.892163 0.433938 0.293963 O\n0.515925 0.704934 0.568486 O\n0.295067 0.484077 0.931514 O\n0.704934 0.515925 0.068486 O\n0.692809 0.169836 0.647235 O\n0.830165 0.307193 0.852766 O\n0.169836 0.692808 0.147235 O\n0.639607 0.868442 0.994471 O\n0.131560 0.360395 0.505529 O\n0.360395 0.131560 0.005529 O\n0.868442 0.639606 0.494471 O\n0.241211 0.355640 0.240883 O\n0.644361 0.758790 0.259117 O\n0.758790 0.644361 0.759117 O\n0.355640 0.241211 0.740883 O\n0.484077 0.295067 0.431514 O\n0.307193 0.830165 0.352766 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"La",
"Sc",
"B",
"O"
],
"chemical_system": "B-La-O-Sc",
"density": 3.754639648514007,
"density_atomic": 0.08884292335204957,
"volume": 450.2328209248105,
"volume_molar": 6.778413555952706,
"formula_full": "La2 Sc6 B8 O24",
"formula_reduced": "LaSc3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.410650654166667,
"spacegroup": 15
}
]
}