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{
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{
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{
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{
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"structure_string": "Ho4 Rh4 O12\n1.0\n5.279500 0.000000 0.000000\n0.000000 5.784026 0.000000\n0.000000 0.000000 7.656289\nHo Rh O\n4 4 12\ndirect\n0.030507 0.415997 0.250000 Ho\n0.969493 0.584003 0.750000 Ho\n0.530507 0.084003 0.750000 Ho\n0.469493 0.915997 0.250000 Ho\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.322380 0.190303 0.064757 O\n0.677620 0.809697 0.935243 O\n0.822380 0.309697 0.935243 O\n0.677620 0.809697 0.564757 O\n0.177620 0.690303 0.064757 O\n0.322380 0.190303 0.435243 O\n0.177620 0.690303 0.435243 O\n0.822380 0.309697 0.564757 O\n0.637463 0.554538 0.250000 O\n0.362537 0.445462 0.750000 O\n0.137463 0.945462 0.750000 O\n0.862537 0.054538 0.250000 O\n",
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"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.630000Z",
"spacegroup": 14
},
{
"id": "mp-1206988",
"created_at": "2022-09-04T14:45:19.327134Z",
"structure_string": "Nb1 B1 Rh3\n1.0\n4.112569 0.000000 0.000000\n0.000000 4.112569 0.000000\n0.000000 0.000000 4.112569\nNb B Rh\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nb",
"B",
"Rh"
],
"chemical_system": "B-Nb-Rh",
"density": 9.846090849961296,
"density_atomic": 0.07188369812720756,
"volume": 69.5567998067079,
"volume_molar": 8.377616785022717,
"formula_full": "Nb1 B1 Rh3",
"formula_reduced": "NbBRh3",
"formula_anonymous": "ABC3",
"energy": -40.22120705,
"energy_per_atom": -8.04424141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.22120705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9753499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.987000Z",
"spacegroup": 221
}
]
}