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"created_at": "2022-09-04T14:38:40.518849Z",
"updated_at": "2022-09-04T14:38:40.518883Z",
"structure_string": "Ba3 La2 Ti2 Nb2 O15\n1.0\n5.709226 0.000000 0.000000\n-2.854613 4.944335 0.000000\n-0.000000 -0.000000 11.635147\nBa La Ti Nb O\n3 2 2 2 15\ndirect\n0.666667 0.333333 0.578321 Ba\n0.333334 0.666666 0.421679 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.213703 La\n0.333334 0.666666 0.786297 La\n0.666667 0.333333 0.902827 Ti\n0.333334 0.666666 0.097173 Ti\n0.000000 0.000000 0.308252 Nb\n0.000000 0.000000 0.691749 Nb\n0.500000 -0.000000 -0.000000 O\n0.169391 0.830609 0.192880 O\n0.169390 0.338780 0.192880 O\n0.661220 0.830609 0.192880 O\n0.830610 0.169390 0.807121 O\n0.830610 0.661219 0.807121 O\n0.827583 0.172418 0.381550 O\n0.172418 0.827581 0.618450 O\n0.172418 0.344836 0.618450 O\n0.655165 0.827581 0.618450 O\n0.500000 0.500000 -0.000000 O\n0.827583 0.655164 0.381550 O\n0.344836 0.172418 0.381550 O\n0.338781 0.169390 0.807121 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O-Ti",
"density": 6.124271918146498,
"density_atomic": 0.07307254675189837,
"volume": 328.44072181426327,
"volume_molar": 8.241317742006235,
"formula_full": "Ba3 La2 Ti2 Nb2 O15",
"formula_reduced": "Ba3La2Ti2Nb2O15",
"formula_anonymous": "A2B2C2D3E15",
"energy_above_hull": 2.936079411527777,
"spacegroup": 164
}
]
}