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"created_at": "2022-09-04T14:37:33.009801Z",
"updated_at": "2022-09-04T14:37:33.009821Z",
"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.401977 0.000000 0.000000\n-0.000000 7.286612 0.000000\n0.000000 0.000000 11.329547\nPr Si Te O\n8 4 4 16\ndirect\n0.388774 0.750000 0.500000 Pr\n0.388774 0.750000 0.000000 Pr\n0.611227 0.250000 0.500000 Pr\n0.611227 0.250000 0.000000 Pr\n0.886548 0.538648 0.750000 Pr\n0.886548 0.961351 0.250000 Pr\n0.113452 0.038649 0.750000 Pr\n0.113452 0.461351 0.250000 Pr\n0.112797 0.250000 0.000000 Si\n0.887204 0.750000 0.000000 Si\n0.887204 0.750000 0.500000 Si\n0.112797 0.250000 0.500000 Si\n0.401152 0.426569 0.750000 Te\n0.401152 0.073431 0.250000 Te\n0.598848 0.926568 0.750000 Te\n0.598848 0.573431 0.250000 Te\n0.952051 0.230261 0.114832 O\n0.952051 0.269739 0.885168 O\n0.952051 0.269739 0.614832 O\n0.952051 0.230261 0.385168 O\n0.047949 0.730261 0.385168 O\n0.047949 0.730261 0.114832 O\n0.267411 0.422243 0.464194 O\n0.267411 0.077757 0.535806 O\n0.732589 0.577756 0.964194 O\n0.732589 0.577756 0.535806 O\n0.732589 0.922243 0.464194 O\n0.267411 0.077757 0.964194 O\n0.267411 0.422243 0.035806 O\n0.047949 0.769739 0.614832 O\n0.732589 0.922243 0.035806 O\n0.047949 0.769739 0.885168 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Te",
"O"
],
"chemical_system": "O-Pr-Si-Te",
"density": 6.3026957209014425,
"density_atomic": 0.06054770393976905,
"volume": 528.5088932824372,
"volume_molar": 9.946109213308297,
"formula_full": "Pr8 Si4 Te4 O16",
"formula_reduced": "Pr2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.102797508333333,
"spacegroup": 57
}
]
}