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"created_at": "2022-09-04T14:36:40.563659Z",
"updated_at": "2022-09-04T14:36:40.563674Z",
"structure_string": "Na4 I4 O12\n1.0\n5.733492 -0.000000 0.000000\n0.000000 6.379038 0.000000\n0.000000 0.000000 8.084172\nNa I O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.010762 0.007384 0.250000 I\n0.510762 0.492616 0.750000 I\n0.489238 0.507384 0.250000 I\n0.989238 0.992616 0.750000 I\n0.207204 0.404502 0.750000 O\n0.707204 0.095499 0.250000 O\n0.138551 0.165237 0.081835 O\n0.638551 0.334763 0.918165 O\n0.361449 0.665237 0.418165 O\n0.638551 0.334763 0.581835 O\n0.861449 0.834764 0.918165 O\n0.361449 0.665237 0.081835 O\n0.792795 0.595499 0.250000 O\n0.138551 0.165237 0.418165 O\n0.861449 0.834764 0.581835 O\n0.292796 0.904502 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"I",
"O"
],
"chemical_system": "I-Na-O",
"density": 4.445579134387994,
"density_atomic": 0.0676425623274455,
"volume": 295.6718272022811,
"volume_molar": 8.902886810892669,
"formula_full": "Na4 I4 O12",
"formula_reduced": "NaIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2489955525000005,
"spacegroup": 62
}
]
}