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"id": "mp-12016",
"created_at": "2022-09-04T14:40:10.236312Z",
"structure_string": "Rb4 Si2 S6\n1.0\n3.480950 6.784287 0.000000\n-3.480950 6.784287 0.000000\n0.000000 5.745073 7.955247\nRb Si S\n4 2 6\ndirect\n0.191796 0.191796 0.186042 Rb\n0.808204 0.808204 0.813958 Rb\n0.417072 0.417072 0.366493 Rb\n0.582928 0.582928 0.633507 Rb\n0.885095 0.885095 0.175858 Si\n0.114905 0.114905 0.824142 Si\n0.233839 0.766161 0.000000 S\n0.766161 0.233839 0.000000 S\n0.112176 0.112176 0.613672 S\n0.887824 0.887824 0.386328 S\n0.285969 0.285969 0.779544 S\n0.714031 0.714031 0.220456 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Si",
"S"
],
"chemical_system": "Rb-S-Si",
"density": 2.6093568153978897,
"density_atomic": 0.03193710784910813,
"volume": 375.73846876479485,
"volume_molar": 18.856249565403814,
"formula_full": "Rb4 Si2 S6",
"formula_reduced": "Rb2SiS3",
"formula_anonymous": "AB2C3",
"energy": -56.11063591,
"energy_per_atom": -4.675886325833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.09263591,
"band_gap": 2.8274,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009989,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.643000Z",
"spacegroup": 12
}
]
}