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"id": "mp-1564",
"created_at": "2022-09-04T14:39:29.162391Z",
"structure_string": "Na2 Tl2\n1.0\n0.000000 3.838826 3.838826\n3.838826 0.000000 3.838826\n3.838826 3.838826 0.000000\nNa Tl\n2 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 6.674101990372336,
"density_atomic": 0.035353687025276366,
"volume": 113.14237174584285,
"volume_molar": 17.033982214342814,
"formula_full": "Na2 Tl2",
"formula_reduced": "NaTl",
"formula_anonymous": "AB",
"energy": -7.82104873,
"energy_per_atom": -1.9552621825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.82104873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.207000Z",
"spacegroup": 227
}
]
}