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{
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"created_at": "2022-09-04T15:53:03.219421Z",
"updated_at": "2022-09-04T15:53:03.219447Z",
"structure_string": "Rb2 Tl2 Ge2 Se2 S2 O2\n1.0\n7.003421 0.000000 0.000000\n3.346233 6.385633 0.000000\n3.388180 -1.388375 7.528301\nGe O Rb S Se Tl\n2 2 2 2 2 2\ndirect\n0.562234 0.546693 0.308077 Ge\n0.437766 0.453307 0.691923 Ge\n0.695273 0.357466 0.117660 O\n0.304727 0.642534 0.882340 O\n0.910472 0.961465 0.263240 Rb\n0.089528 0.038535 0.736760 Rb\n0.772155 0.454719 0.474439 S\n0.227845 0.545281 0.525561 S\n0.448440 0.896244 0.256150 Se\n0.551560 0.103756 0.743850 Se\n0.309133 0.354854 0.117064 Tl\n0.690867 0.645146 0.882936 Tl\n",
"nsites": 12,
"nelements": 6,
"elements": [
"Ge",
"O",
"Rb",
"S",
"Se",
"Tl"
],
"chemical_system": "Ge-O-Rb-S-Se-Tl",
"density": 4.828746175070794,
"density_atomic": 0.03564265789823261,
"volume": 336.67522871786275,
"volume_molar": 16.89588014786803,
"formula_full": "Rb2 Tl2 Ge2 Se2 S2 O2",
"formula_reduced": "RbTlGeSeSO",
"formula_anonymous": "ABCDEF",
"formation_energy": -1.015778964148686,
"spacegroup": 2
}
]
}