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{
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{
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{
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"updated_at": "2021-11-28T01:36:09.362000Z",
"spacegroup": 216
},
{
"id": "mp-1208478",
"created_at": "2022-09-04T14:39:06.322223Z",
"structure_string": "Tb16 Mg4 Rh4\n1.0\n0.000000 6.883996 6.883996\n6.883996 0.000000 6.883996\n6.883996 6.883996 0.000000\nTb Mg Rh\n16 4 4\ndirect\n0.348062 0.348062 0.348062 Tb\n0.348062 0.348062 0.955814 Tb\n0.348062 0.955814 0.348062 Tb\n0.955814 0.348062 0.348062 Tb\n0.813059 0.186941 0.186941 Tb\n0.186941 0.813059 0.813059 Tb\n0.186941 0.813059 0.186941 Tb\n0.813059 0.186941 0.813059 Tb\n0.186941 0.186941 0.813059 Tb\n0.813059 0.813059 0.186941 Tb\n0.935346 0.564654 0.564654 Tb\n0.564654 0.935346 0.935346 Tb\n0.564654 0.935346 0.564654 Tb\n0.935346 0.564654 0.935346 Tb\n0.564654 0.564654 0.935346 Tb\n0.935346 0.935346 0.564654 Tb\n0.579578 0.579578 0.579578 Mg\n0.579578 0.579578 0.261267 Mg\n0.579578 0.261267 0.579578 Mg\n0.261267 0.579578 0.579578 Mg\n0.142398 0.142398 0.142398 Rh\n0.142398 0.142398 0.572805 Rh\n0.142398 0.572805 0.142398 Rh\n0.572805 0.142398 0.142398 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh-Tb",
"density": 7.766612802679243,
"density_atomic": 0.036784039317501106,
"volume": 652.4568928617168,
"volume_molar": 16.371613536022906,
"formula_full": "Tb16 Mg4 Rh4",
"formula_reduced": "Tb4MgRh",
"formula_anonymous": "ABC4",
"energy": -119.40547034,
"energy_per_atom": -4.975227930833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.40547034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0713041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.910000Z",
"spacegroup": 216
},
{
"id": "mp-1208458",
"created_at": "2022-09-04T14:42:48.517615Z",
"structure_string": "Tb16 Mg4 Ni4\n1.0\n0.000000 6.821226 6.821226\n6.821226 0.000000 6.821226\n6.821226 6.821226 0.000000\nTb Mg Ni\n16 4 4\ndirect\n0.184266 0.815734 0.815734 Tb\n0.815734 0.184266 0.184266 Tb\n0.815734 0.184266 0.815734 Tb\n0.184266 0.815734 0.184266 Tb\n0.815734 0.815734 0.184266 Tb\n0.184266 0.184266 0.815734 Tb\n0.061941 0.438059 0.438059 Tb\n0.438059 0.061941 0.061941 Tb\n0.438059 0.061941 0.438059 Tb\n0.061941 0.438059 0.061941 Tb\n0.438059 0.438059 0.061941 Tb\n0.061941 0.061941 0.438059 Tb\n0.596070 0.596070 0.596070 Tb\n0.596070 0.596070 0.211789 Tb\n0.596070 0.211789 0.596070 Tb\n0.211789 0.596070 0.596070 Tb\n0.830279 0.830279 0.830279 Mg\n0.830279 0.830279 0.509163 Mg\n0.830279 0.509163 0.830279 Mg\n0.509163 0.830279 0.830279 Mg\n0.391462 0.391462 0.391462 Ni\n0.391462 0.391462 0.825615 Ni\n0.391462 0.825615 0.391462 Ni\n0.825615 0.391462 0.391462 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 7.520371603017345,
"density_atomic": 0.03780889020132866,
"volume": 634.7713427239555,
"volume_molar": 15.927843234574427,
"formula_full": "Tb16 Mg4 Ni4",
"formula_reduced": "Tb4MgNi",
"formula_anonymous": "ABC4",
"energy": -108.35886117,
"energy_per_atom": -4.51495254875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.35886117,
"band_gap": 0.0121999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0084662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.850000Z",
"spacegroup": 216
}
]
}