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            "structure_string": "Zr6 N4 O6\n1.0\n2.026611 5.404735 0.000000\n-2.026611 5.404735 0.000000\n0.000000 0.093147 10.821701\nZr N O\n6 4 6\ndirect\n0.814877 0.814877 0.248181 Zr\n0.854872 0.854872 0.940717 Zr\n0.862283 0.862283 0.554970 Zr\n0.191920 0.191920 0.748496 Zr\n0.142075 0.142075 0.054415 Zr\n0.134741 0.134741 0.439974 Zr\n0.700864 0.700864 0.077762 N\n0.952118 0.952118 0.384280 N\n0.294195 0.294195 0.574294 N\n0.296896 0.296896 0.919432 N\n0.689620 0.689620 0.419451 O\n0.753554 0.753554 0.751019 O\n0.953786 0.953786 0.112698 O\n0.243440 0.243440 0.256175 O\n0.043235 0.043235 0.883926 O\n0.041955 0.041955 0.619016 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Zr",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Zr",
            "density": 4.898735953789459,
            "density_atomic": 0.06749158947113985,
            "volume": 237.06657563372065,
            "volume_molar": 8.922801799734074,
            "formula_full": "Zr6 N4 O6",
            "formula_reduced": "Zr3N2O3",
            "formula_anonymous": "A2B3C3",
            "energy": -160.29686736,
            "energy_per_atom": -10.01855421,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -154.73086736,
            "band_gap": 2.4055000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004737,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:57.854000Z",
            "spacegroup": 8
        }
    ]
}