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"created_at": "2022-09-04T14:36:17.766833Z",
"updated_at": "2022-09-04T14:36:17.766864Z",
"structure_string": "Pr2 Tl2 Mo4 O16\n1.0\n6.314938 0.000000 0.000000\n-0.000000 6.314938 0.000000\n0.000000 0.000000 9.675129\nPr Tl Mo O\n2 2 4 16\ndirect\n0.250000 0.250000 0.750000 Pr\n0.750000 0.750000 0.250000 Pr\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.750000 0.000000 Mo\n0.750000 0.250000 0.000000 Mo\n0.250000 0.750000 0.500000 Mo\n0.750000 0.250000 0.500000 Mo\n0.941779 0.368857 0.610616 O\n0.558221 0.131143 0.610616 O\n0.368857 0.941779 0.889384 O\n0.368857 0.558221 0.610616 O\n0.058221 0.631143 0.389384 O\n0.941779 0.131143 0.889384 O\n0.131143 0.558221 0.889384 O\n0.868857 0.441779 0.110616 O\n0.058221 0.868857 0.110616 O\n0.441779 0.631143 0.110616 O\n0.868857 0.058221 0.389384 O\n0.631143 0.441779 0.389384 O\n0.631143 0.058221 0.110616 O\n0.441779 0.868857 0.389384 O\n0.558221 0.368857 0.889384 O\n0.131143 0.941779 0.610616 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Pr-Tl",
"density": 5.7255114421267574,
"density_atomic": 0.06220371106868879,
"volume": 385.82907012570143,
"volume_molar": 9.681320706653688,
"formula_full": "Pr2 Tl2 Mo4 O16",
"formula_reduced": "PrTl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0817626875,
"spacegroup": 126
}
]
}