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"created_at": "2022-09-04T14:37:19.742958Z",
"updated_at": "2022-09-04T14:37:19.742993Z",
"structure_string": "Nb4 Tl4 O14\n1.0\n7.613764 0.000000 0.000000\n3.806882 6.593714 -0.000000\n3.806882 2.197905 6.216613\nNb Tl O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n-0.000000 0.000000 0.500000 Nb\n0.500000 -0.000000 -0.000000 Nb\n0.499999 0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.312499 0.937500 0.937500 O\n0.937499 0.312500 0.312500 O\n0.937500 0.937500 0.312500 O\n0.624999 0.625000 0.625000 O\n0.312500 0.937500 0.312500 O\n0.312499 0.312500 0.937500 O\n0.062500 0.687500 0.687500 O\n0.375000 0.375000 0.375000 O\n0.062499 0.062500 0.687500 O\n0.062500 0.687500 0.062500 O\n0.937499 0.312500 0.937500 O\n0.687499 0.062500 0.687500 O\n0.687500 0.687500 0.062500 O\n0.687500 0.062500 0.062500 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Tl",
"O"
],
"chemical_system": "Nb-O-Tl",
"density": 7.518896548379585,
"density_atomic": 0.07049191869249202,
"volume": 312.09251227748445,
"volume_molar": 8.543022904895635,
"formula_full": "Nb4 Tl4 O14",
"formula_reduced": "Nb2Tl2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.738395318181818,
"spacegroup": 227
}
]
}