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{
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.2938796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.070000Z",
"spacegroup": 191
},
{
"id": "mp-1208474",
"created_at": "2022-09-04T14:47:38.402865Z",
"structure_string": "Tb6 B14 Mo2\n1.0\n1.747289 -8.038365 0.000000\n1.747289 8.038365 0.000000\n0.000000 0.000000 9.507046\nTb B Mo\n6 14 2\ndirect\n0.257074 0.742926 0.250000 Tb\n0.742926 0.257074 0.750000 Tb\n0.606412 0.393588 0.060234 Tb\n0.393588 0.606412 0.939766 Tb\n0.393588 0.606412 0.560234 Tb\n0.606412 0.393588 0.439766 Tb\n0.980055 0.019945 0.092534 B\n0.019945 0.980055 0.907466 B\n0.019945 0.980055 0.592534 B\n0.980055 0.019945 0.407466 B\n0.772904 0.227096 0.032481 B\n0.227096 0.772904 0.967519 B\n0.227096 0.772904 0.532481 B\n0.772904 0.227096 0.467519 B\n0.865699 0.134301 0.147499 B\n0.134301 0.865699 0.852501 B\n0.134301 0.865699 0.647499 B\n0.865699 0.134301 0.352501 B\n0.042677 0.957323 0.250000 B\n0.957323 0.042677 0.750000 B\n0.446577 0.553423 0.250000 Mo\n0.553423 0.446577 0.750000 Mo\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"B",
"Mo"
],
"chemical_system": "B-Mo-Tb",
"density": 8.063236312689815,
"density_atomic": 0.08237864128900861,
"volume": 267.05951513351016,
"volume_molar": 7.3103181428697654,
"formula_full": "Tb6 B14 Mo2",
"formula_reduced": "Tb3B7Mo",
"formula_anonymous": "AB3C7",
"energy": -155.45445854,
"energy_per_atom": -7.066111751818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.45445854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.062000Z",
"spacegroup": 63
}
]
}