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{
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{
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{
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{
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{
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"formula_full": "Nd4 Co14 B6",
"formula_reduced": "Nd2Co7B3",
"formula_anonymous": "A2B3C7",
"energy": -165.9850564,
"energy_per_atom": -6.916044016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.9850564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5150214,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.111000Z",
"spacegroup": 191
},
{
"id": "mp-1025459",
"created_at": "2022-09-04T14:47:27.585831Z",
"structure_string": "Hf2 Te6\n1.0\n4.003048 0.000000 0.000000\n0.000000 5.814237 0.000000\n0.000000 1.217082 10.494789\nHf Te\n2 6\ndirect\n0.250000 0.716814 0.659810 Hf\n0.750000 0.283186 0.340190 Hf\n0.250000 0.239099 0.547858 Te\n0.750000 0.760901 0.452142 Te\n0.250000 0.561981 0.180229 Te\n0.750000 0.438019 0.819771 Te\n0.250000 0.078176 0.173350 Te\n0.750000 0.921824 0.826650 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Te"
],
"chemical_system": "Hf-Te",
"density": 7.631486817172769,
"density_atomic": 0.03275161705142145,
"volume": 244.26274853664953,
"volume_molar": 18.387308176402346,
"formula_full": "Hf2 Te6",
"formula_reduced": "HfTe3",
"formula_anonymous": "AB3",
"energy": -46.17031982,
"energy_per_atom": -5.7712899775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.63831982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.723000Z",
"spacegroup": 11
}
]
}