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"created_at": "2022-09-04T14:38:19.065324Z",
"updated_at": "2022-09-04T14:38:19.065346Z",
"structure_string": "K1 Ba2 I1 O6\n1.0\n5.317806 -0.000000 3.070236\n1.772602 5.013675 3.070236\n-0.000000 -0.000000 6.140473\nK Ba I O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750000 Ba\n0.000000 0.000000 0.000000 I\n0.780785 0.219215 0.219215 O\n0.219215 0.780786 0.780785 O\n0.219215 0.780786 0.219215 O\n0.780785 0.219215 0.780785 O\n0.219215 0.219215 0.780785 O\n0.780785 0.780786 0.219215 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ba",
"I",
"O"
],
"chemical_system": "Ba-I-K-O",
"density": 5.443175063935061,
"density_atomic": 0.06108147358500995,
"volume": 163.7157621301086,
"volume_molar": 9.859193641781914,
"formula_full": "K1 Ba2 I1 O6",
"formula_reduced": "KBa2IO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.3312467214999997,
"spacegroup": 225
}
]
}