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"updated_at": "2022-09-04T14:36:18.738478Z",
"structure_string": "Sr12 Al8 Si12 O48\n1.0\n9.995232 0.000000 -3.533848\n-4.997617 8.656125 -3.533848\n0.000000 0.000000 10.601545\nSr Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Sr\n0.249999 0.875000 0.624999 Sr\n0.874999 0.625000 0.249999 Sr\n0.624999 0.875000 0.749999 Sr\n0.874999 0.750000 0.624999 Sr\n0.625000 0.250000 0.874999 Sr\n0.374999 0.750000 0.124999 Sr\n0.750000 0.125000 0.375000 Sr\n0.125000 0.375000 0.749999 Sr\n0.375000 0.125000 0.250000 Sr\n0.125000 0.250000 0.375000 Sr\n0.749999 0.625000 0.874999 Sr\n-0.000000 0.500000 0.499999 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.499999 Al\n0.500000 -0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.624999 0.750000 0.374999 Si\n0.250000 0.125000 0.874999 Si\n0.749999 0.875000 0.124999 Si\n0.375000 0.250000 0.624999 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.750000 0.375000 0.624999 Si\n0.124999 0.875000 0.249999 Si\n0.375000 0.625000 0.749999 Si\n0.125000 0.750000 0.874999 Si\n0.250000 0.625000 0.374999 Si\n0.191614 0.191263 0.583197 O\n0.308736 0.500351 0.391934 O\n0.999648 0.308386 0.891583 O\n0.108065 0.608416 0.916802 O\n0.191263 0.583197 0.191614 O\n0.191263 0.108065 0.999648 O\n0.583197 0.191614 0.191263 O\n0.608416 0.191614 0.500351 O\n0.691263 0.691614 0.083197 O\n0.916802 0.308737 0.308385 O\n0.808385 0.808736 0.416801 O\n0.108416 0.608065 0.416802 O\n0.691614 0.083198 0.691263 O\n0.083197 0.691263 0.691614 O\n0.000351 0.808736 0.891934 O\n0.808385 0.499649 0.391583 O\n0.416802 0.108417 0.608065 O\n0.391583 0.808385 0.499648 O\n0.891934 0.000351 0.808736 O\n0.608065 0.416802 0.108416 O\n0.108417 0.000351 0.691614 O\n0.391583 0.083198 0.891934 O\n0.083197 0.891934 0.391583 O\n0.499648 0.608065 0.691262 O\n0.608065 0.691263 0.499648 O\n0.691614 0.108417 0.000351 O\n0.499649 0.391583 0.808385 O\n0.308385 0.916802 0.308736 O\n0.416802 0.808385 0.808736 O\n0.808736 0.416802 0.808385 O\n0.999649 0.191263 0.108065 O\n0.191614 0.500351 0.608416 O\n0.583197 0.891583 0.391934 O\n0.108065 0.999648 0.191263 O\n0.500351 0.608416 0.191614 O\n0.391934 0.583197 0.891583 O\n0.891583 0.999648 0.308385 O\n0.808736 0.891934 0.000350 O\n0.608416 0.916802 0.108065 O\n0.500351 0.391934 0.308736 O\n0.391934 0.308737 0.500351 O\n0.308385 0.891583 0.999648 O\n0.308737 0.308386 0.916802 O\n0.691263 0.499649 0.608065 O\n0.000351 0.691614 0.108416 O\n0.891934 0.391583 0.083197 O\n0.916802 0.108065 0.608416 O\n0.891583 0.391934 0.583197 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Sr",
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si-Sr",
"density": 4.294684118930043,
"density_atomic": 0.08721765938577612,
"volume": 917.2454358829857,
"volume_molar": 6.904726407943619,
"formula_full": "Sr12 Al8 Si12 O48",
"formula_reduced": "Sr3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.3703661165,
"spacegroup": 230
}
]
}