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"created_at": "2022-09-04T14:36:11.252994Z",
"updated_at": "2022-09-04T14:36:11.253005Z",
"structure_string": "Al8 Cd12 Si12 O48\n1.0\n9.747744 -0.000000 -3.446348\n-4.873872 8.441794 -3.446348\n0.000000 0.000000 10.339044\nAl Cd Si O\n8 12 12 48\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.499999 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 -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\n0.250000 0.375000 0.125000 Cd\n0.250000 0.875000 0.624999 Cd\n0.375000 0.750000 0.125000 Cd\n0.625000 0.250000 0.874999 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.125000 0.250000 Cd\n0.125000 0.375000 0.750000 Cd\n0.750000 0.125000 0.375000 Cd\n0.750000 0.625000 0.874999 Cd\n0.875000 0.625000 0.249999 Cd\n0.875000 0.750000 0.624999 Cd\n0.625000 0.875000 0.749999 Cd\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.750000 0.374999 Si\n0.375000 0.625000 0.749999 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 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\n0.125000 0.750000 0.874999 Si\n0.250000 0.625000 0.375000 Si\n0.188573 0.195058 0.582231 O\n0.304942 0.493515 0.387173 O\n0.006485 0.311427 0.893658 O\n0.112826 0.606341 0.917768 O\n0.195058 0.582232 0.188573 O\n0.195058 0.112826 0.006485 O\n0.582232 0.188573 0.195058 O\n0.606341 0.188573 0.493514 O\n0.695058 0.688573 0.082231 O\n0.917768 0.304942 0.311427 O\n0.811427 0.804942 0.417768 O\n0.106341 0.612826 0.417768 O\n0.688573 0.082232 0.695057 O\n0.082232 0.695058 0.688572 O\n0.993514 0.804942 0.887173 O\n0.811427 0.506485 0.393658 O\n0.417768 0.106341 0.612826 O\n0.393659 0.811427 0.506485 O\n0.887173 0.993514 0.804941 O\n0.612826 0.417768 0.106341 O\n0.106341 0.993514 0.688572 O\n0.393659 0.082232 0.887173 O\n0.082232 0.887173 0.393658 O\n0.506485 0.612826 0.695057 O\n0.612826 0.695058 0.506484 O\n0.688573 0.106341 0.993514 O\n0.506485 0.393659 0.811427 O\n0.311427 0.917768 0.304942 O\n0.417768 0.811427 0.804941 O\n0.804942 0.417768 0.811426 O\n0.006485 0.195058 0.112826 O\n0.188573 0.493515 0.606341 O\n0.582232 0.893659 0.387173 O\n0.112826 0.006485 0.195058 O\n0.493515 0.606341 0.188572 O\n0.387174 0.582232 0.893658 O\n0.893659 0.006485 0.311427 O\n0.804942 0.887173 0.993514 O\n0.606341 0.917768 0.112826 O\n0.493515 0.387174 0.304942 O\n0.387174 0.304942 0.493514 O\n0.311427 0.893659 0.006485 O\n0.304942 0.311427 0.917768 O\n0.695058 0.506485 0.612826 O\n0.993514 0.688573 0.106341 O\n0.887173 0.393659 0.082231 O\n0.917768 0.112826 0.606341 O\n0.893659 0.387174 0.582231 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Si",
"density": 5.21081397878823,
"density_atomic": 0.09403093148064348,
"volume": 850.7838722885374,
"volume_molar": 6.4044252940742945,
"formula_full": "Al8 Cd12 Si12 O48",
"formula_reduced": "Al2Cd3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.1486006325,
"spacegroup": 230
}
]
}