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{
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{
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.468000Z",
"spacegroup": 225
},
{
"id": "mp-2959",
"created_at": "2022-09-04T14:44:41.454404Z",
"structure_string": "Yb4 Cd2 S8\n1.0\n0.000000 5.673751 5.673751\n5.673751 0.000000 5.673751\n5.673751 5.673751 0.000000\nYb Cd S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Yb\n0.125000 0.625000 0.125000 Yb\n0.625000 0.125000 0.125000 Yb\n0.125000 0.125000 0.125000 Yb\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cd\n0.879881 0.360358 0.879881 S\n0.370119 0.370119 0.889642 S\n0.370119 0.370119 0.370119 S\n0.889642 0.370119 0.370119 S\n0.879881 0.879881 0.879881 S\n0.360358 0.879881 0.879881 S\n0.370119 0.889642 0.370119 S\n0.879881 0.879881 0.360358 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"S"
],
"chemical_system": "Cd-S-Yb",
"density": 5.334480341524159,
"density_atomic": 0.03832544649510466,
"volume": 365.2925479103872,
"volume_molar": 15.713165300681398,
"formula_full": "Yb4 Cd2 S8",
"formula_reduced": "Yb2CdS4",
"formula_anonymous": "AB2C4",
"energy": -59.75854914,
"energy_per_atom": -4.268467795714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.73454914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178632,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.264000Z",
"spacegroup": 227
}
]
}