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"created_at": "2022-09-04T14:37:39.671688Z",
"updated_at": "2022-09-04T14:37:39.671699Z",
"structure_string": "Ba2 Al4 Si6 N8 O8\n1.0\n0.000000 0.000000 -5.774231\n0.000000 -6.805300 2.887115\n-9.594648 0.000000 0.000000\nBa Al Si N O\n2 4 6 8 8\ndirect\n0.984244 0.968490 0.501277 Ba\n0.015755 0.031510 0.001277 Ba\n0.473405 0.946813 0.254890 Al\n0.526594 0.053187 0.754891 Al\n0.287350 0.574701 0.038136 Al\n0.712650 0.425299 0.538136 Al\n0.297786 0.595575 0.486648 Si\n0.702213 0.404425 0.986648 Si\n0.918657 0.347878 0.261597 Si\n0.429220 0.347878 0.261597 Si\n0.081342 0.652122 0.761597 Si\n0.570779 0.652122 0.761597 Si\n0.535162 0.577915 0.589222 N\n0.042753 0.577915 0.589222 N\n0.464837 0.422085 0.089222 N\n0.957246 0.422085 0.089222 N\n0.791804 0.583609 0.851125 N\n0.713200 0.426402 0.345355 N\n0.208195 0.416391 0.351125 N\n0.286799 0.573598 0.845356 N\n0.407337 0.814676 0.101393 O\n0.801112 0.100341 0.260116 O\n0.299229 0.100341 0.260116 O\n0.198887 0.899659 0.760117 O\n0.700770 0.899659 0.760117 O\n0.406989 0.813979 0.411603 O\n0.593010 0.186021 0.911603 O\n0.592662 0.185324 0.601393 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si",
"density": 3.4844403791138303,
"density_atomic": 0.07426557636783046,
"volume": 377.02528371043155,
"volume_molar": 8.108926173511263,
"formula_full": "Ba2 Al4 Si6 N8 O8",
"formula_reduced": "BaAl2Si3(NO)4",
"formula_anonymous": "AB2C3D4E4",
"energy_above_hull": 3.616973883571428,
"spacegroup": 36
}
]
}