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{
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{
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"total_magnetization": 4.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.946000Z",
"spacegroup": 225
},
{
"id": "mp-1193669",
"created_at": "2022-09-04T14:48:23.607472Z",
"structure_string": "Hf18 Re8 As2\n1.0\n-4.301691 -7.479953 0.000000\n-4.301691 7.479953 0.000000\n0.000000 0.000000 -8.646236\nHf Re As\n18 8 2\ndirect\n0.806249 0.612003 0.544871 Hf\n0.805099 0.194901 0.544626 Hf\n0.387997 0.193751 0.544871 Hf\n0.193751 0.387997 0.455129 Hf\n0.194901 0.805099 0.455374 Hf\n0.612003 0.806249 0.455129 Hf\n0.193751 0.387997 0.044871 Hf\n0.194901 0.805099 0.044626 Hf\n0.612003 0.806249 0.044871 Hf\n0.806249 0.612003 0.955129 Hf\n0.805099 0.194901 0.955374 Hf\n0.387997 0.193751 0.955129 Hf\n0.459639 0.918887 0.750000 Hf\n0.459319 0.540681 0.750000 Hf\n0.081113 0.540361 0.750000 Hf\n0.540361 0.081113 0.250000 Hf\n0.540681 0.459319 0.250000 Hf\n0.918887 0.459639 0.250000 Hf\n0.108624 0.217485 0.750000 Re\n0.109098 0.890902 0.750000 Re\n0.782515 0.891376 0.750000 Re\n0.891376 0.782515 0.250000 Re\n0.890902 0.109098 0.250000 Re\n0.217485 0.108624 0.250000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.666711 0.333289 0.750000 As\n0.333289 0.666711 0.250000 As\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Re",
"As"
],
"chemical_system": "As-Hf-Re",
"density": 14.48115822578136,
"density_atomic": 0.05032257668748338,
"volume": 556.410300169792,
"volume_molar": 11.967075528344068,
"formula_full": "Hf18 Re8 As2",
"formula_reduced": "Hf9Re4As",
"formula_anonymous": "AB4C9",
"energy": -299.55776596,
"energy_per_atom": -10.698491641428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.55776596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0289585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:01.273000Z",
"spacegroup": 194
}
]
}