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"created_at": "2022-09-04T14:37:59.080764Z",
"updated_at": "2022-09-04T14:37:59.080784Z",
"structure_string": "Tl4 H4 C4 O8\n1.0\n5.757131 0.000000 0.000000\n-0.000000 6.703634 0.000000\n0.000000 0.000000 8.021751\nTl H C O\n4 4 4 8\ndirect\n0.753492 0.250000 0.500000 Tl\n0.246508 0.750000 0.500000 Tl\n0.746508 0.250000 0.000000 Tl\n0.253492 0.750000 0.000000 Tl\n0.750000 0.838129 0.250000 H\n0.250000 0.161871 0.750000 H\n0.750000 0.661870 0.750000 H\n0.250000 0.338129 0.250000 H\n0.750000 0.671989 0.250000 C\n0.250000 0.328010 0.750000 C\n0.750000 0.828010 0.750000 C\n0.250000 0.171990 0.250000 C\n0.912596 0.583708 0.327338 O\n0.412596 0.416291 0.827338 O\n0.412596 0.083709 0.172662 O\n0.587404 0.916291 0.827338 O\n0.087404 0.083709 0.327338 O\n0.087404 0.416291 0.672661 O\n0.587404 0.583708 0.172662 O\n0.912596 0.916291 0.672661 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Tl",
"density": 5.35083110229331,
"density_atomic": 0.06460176920912908,
"volume": 309.5890444618618,
"volume_molar": 9.32194401751615,
"formula_full": "Tl4 H4 C4 O8",
"formula_reduced": "TlHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.53713192,
"spacegroup": 52
}
]
}