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{
"id": "mp-1206297",
"created_at": "2022-09-04T14:42:08.969538Z",
"structure_string": "Tl4 S6\n1.0\n-4.905228 -8.496103 0.000000\n-7.048799 9.733695 0.000000\n0.000000 0.000000 -56.829767\nTl S\n4 6\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 -0.000000 0.000000 Tl\n-0.000000 0.000000 0.749902 S\n-0.000000 0.000000 0.250098 S\n0.763463 0.734553 -0.000000 S\n0.236537 0.265447 0.000000 S\n0.028910 0.265447 -0.000000 S\n0.971090 0.734553 0.000000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 0.2741667931507101,
"density_atomic": 0.0016348480960155733,
"volume": 6116.776246289699,
"volume_molar": 368.36087552580994,
"formula_full": "Tl4 S6",
"formula_reduced": "Tl2S3",
"formula_anonymous": "A2B3",
"energy": -28.18356837,
"energy_per_atom": -2.818356837,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.16556837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4967834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.034000Z",
"spacegroup": 65
}
]
}