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"created_at": "2022-09-04T14:36:04.525456Z",
"updated_at": "2022-09-04T14:36:04.525478Z",
"structure_string": "Tb6 Ta2 O14\n1.0\n5.321671 3.673437 -0.000000\n-5.321671 3.673437 -0.000000\n0.000000 0.000000 7.521052\nTb Ta O\n6 2 14\ndirect\n0.062024 0.518823 0.250000 Tb\n0.481178 0.937977 0.750000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.518823 0.062024 0.250000 Tb\n0.937977 0.481178 0.750000 Tb\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.436775 0.178386 0.963012 O\n0.821615 0.563226 0.463012 O\n0.436775 0.178386 0.536988 O\n0.821615 0.563226 0.036988 O\n0.419051 0.419051 0.250000 O\n0.580950 0.580950 0.750000 O\n0.563226 0.821615 0.036988 O\n0.178386 0.436775 0.963012 O\n0.563226 0.821615 0.463012 O\n0.845706 0.109781 0.750000 O\n0.109781 0.845706 0.750000 O\n0.154295 0.890220 0.250000 O\n0.178386 0.436775 0.536988 O\n0.890220 0.154295 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Tb",
"density": 8.693256763700987,
"density_atomic": 0.07481582614897145,
"volume": 294.0554309484485,
"volume_molar": 8.04928725642735,
"formula_full": "Tb6 Ta2 O14",
"formula_reduced": "Tb3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.735363536363636,
"spacegroup": 63
}
]
}