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"created_at": "2022-09-04T14:37:08.916167Z",
"updated_at": "2022-09-04T14:37:08.916192Z",
"structure_string": "Tl12 Se2 I8\n1.0\n9.245491 0.000000 -0.000000\n0.000000 9.245491 0.000000\n-0.000000 0.000000 9.764169\nTl Se I\n12 2 8\ndirect\n0.683364 0.889249 0.500000 Tl\n0.500000 0.500000 0.306079 Tl\n0.500000 0.500000 0.693921 Tl\n0.000000 0.000000 0.806079 Tl\n0.389249 0.183364 0.000000 Tl\n0.816636 0.389249 0.000000 Tl\n0.000000 0.000000 0.193921 Tl\n0.889249 0.316636 0.500000 Tl\n0.110751 0.683364 0.500000 Tl\n0.610751 0.816636 0.000000 Tl\n0.316636 0.110751 0.500000 Tl\n0.183364 0.610751 0.000000 Tl\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.662910 0.162910 0.250000 I\n0.162910 0.337090 0.750000 I\n0.662910 0.162910 0.750000 I\n0.337090 0.837090 0.750000 I\n0.837090 0.662910 0.750000 I\n0.837090 0.662910 0.250000 I\n0.337090 0.837090 0.250000 I\n0.162910 0.337090 0.250000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Se",
"I"
],
"chemical_system": "I-Se-Tl",
"density": 7.2136048246127595,
"density_atomic": 0.02635890912476241,
"volume": 834.6324157752223,
"volume_molar": 22.846699502987423,
"formula_full": "Tl12 Se2 I8",
"formula_reduced": "Tl6SeI4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
}
]
}