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            "created_at": "2022-09-04T14:37:33.383762Z",
            "updated_at": "2022-09-04T14:37:33.383791Z",
            "structure_string": "Tl3 Ir1 N6 O12\n1.0\n6.857030 -0.000000 3.958908\n2.285677 6.464870 3.958908\n-0.000000 -0.000000 7.917817\nTl Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Ir\n0.821224 0.821224 0.178777 N\n0.178777 0.821224 0.178776 N\n0.178776 0.178776 0.821224 N\n0.821224 0.178776 0.821224 N\n0.178777 0.821224 0.821224 N\n0.821224 0.178776 0.178777 N\n0.418371 0.000000 0.581629 O\n0.000000 0.418371 0.581629 O\n0.000000 0.000000 0.581629 O\n0.000000 0.581629 0.000000 O\n0.000000 0.581629 0.418371 O\n0.418371 0.000000 0.000000 O\n0.000000 0.418371 0.000000 O\n0.581629 0.000000 0.418372 O\n0.581629 0.418371 0.000000 O\n0.418371 0.581629 0.000000 O\n0.581629 0.000000 0.000000 O\n0.000000 0.000000 0.418371 O\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Tl",
                "Ir",
                "N",
                "O"
            ],
            "chemical_system": "Ir-N-O-Tl",
            "density": 5.116042185054358,
            "density_atomic": 0.06267890130460835,
            "volume": 350.9953037160607,
            "volume_molar": 9.607923295804857,
            "formula_full": "Tl3 Ir1 N6 O12",
            "formula_reduced": "Tl3Ir(NO2)6",
            "formula_anonymous": "AB3C6D12",
            "energy_above_hull": 3.656840472727272,
            "spacegroup": 225
        }
    ]
}