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{
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"total_magnetization": 0.0002803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.423000Z",
"spacegroup": 221
},
{
"id": "mp-866789",
"created_at": "2022-09-04T14:44:01.428812Z",
"structure_string": "Gd10 C12 Cl6\n1.0\n10.863358 1.866972 0.045658\n-10.863358 1.866972 -0.045658\n-8.457351 0.000000 12.828455\nGd C Cl\n10 12 6\ndirect\n0.172495 0.827505 0.380061 Gd\n0.827505 0.172495 0.619939 Gd\n0.833128 0.166873 0.390668 Gd\n0.166873 0.833128 0.609331 Gd\n0.492703 0.507297 0.104094 Gd\n0.507298 0.492703 0.895905 Gd\n0.164499 0.835501 0.139600 Gd\n0.835501 0.164499 0.860401 Gd\n0.493946 0.506055 0.386321 Gd\n0.506055 0.493945 0.613679 Gd\n0.037128 0.962872 0.529989 C\n0.962873 0.037128 0.470011 C\n0.696794 0.303206 0.276786 C\n0.303206 0.696795 0.723214 C\n0.037186 0.962815 0.027356 C\n0.962815 0.037186 0.972644 C\n0.624302 0.375699 0.227159 C\n0.375698 0.624302 0.772841 C\n0.624352 0.375648 0.460635 C\n0.375649 0.624352 0.539365 C\n0.302899 0.697101 0.482070 C\n0.697101 0.302899 0.517931 C\n0.327953 0.672048 0.246576 Cl\n0.672047 0.327953 0.753424 Cl\n0.668981 0.331020 0.009076 Cl\n0.331019 0.668981 0.990923 Cl\n0.969956 0.030045 0.227170 Cl\n0.030045 0.969956 0.772829 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Gd",
"C",
"Cl"
],
"chemical_system": "C-Cl-Gd",
"density": 6.139759490276246,
"density_atomic": 0.053659927791166795,
"volume": 521.8046529799693,
"volume_molar": 11.222789533815462,
"formula_full": "Gd10 C12 Cl6",
"formula_reduced": "Gd5(C2Cl)3",
"formula_anonymous": "A3B5C6",
"energy": -291.61257158,
"energy_per_atom": -10.414734699285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.92857158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 69.1784119,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.923000Z",
"spacegroup": 12
}
]
}