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{
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{
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{
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{
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{
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{
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"total_magnetization": 0.0002177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.770000Z",
"spacegroup": 194
},
{
"id": "mp-1210768",
"created_at": "2022-09-04T14:46:23.196505Z",
"structure_string": "Lu16 Cd4 Pd4\n1.0\n0.000000 6.706162 6.706162\n6.706162 0.000000 6.706162\n6.706162 6.706162 0.000000\nLu Cd Pd\n16 4 4\ndirect\n0.604044 0.604044 0.604044 Lu\n0.604044 0.604044 0.187867 Lu\n0.604044 0.187867 0.604044 Lu\n0.187867 0.604044 0.604044 Lu\n0.061562 0.438438 0.438438 Lu\n0.438438 0.061562 0.061562 Lu\n0.438438 0.061562 0.438438 Lu\n0.061562 0.438438 0.061562 Lu\n0.438438 0.438438 0.061562 Lu\n0.061562 0.061562 0.438438 Lu\n0.183641 0.816359 0.816359 Lu\n0.816359 0.183641 0.183641 Lu\n0.816359 0.183641 0.816359 Lu\n0.183641 0.816359 0.183641 Lu\n0.816359 0.816359 0.183641 Lu\n0.183641 0.183641 0.816359 Lu\n0.832923 0.832923 0.832923 Cd\n0.832923 0.832923 0.501232 Cd\n0.832923 0.501232 0.832923 Cd\n0.501232 0.832923 0.832923 Cd\n0.395077 0.395077 0.395077 Pd\n0.395077 0.395077 0.814770 Pd\n0.395077 0.814770 0.395077 Pd\n0.814770 0.395077 0.395077 Pd\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"Cd",
"Pd"
],
"chemical_system": "Cd-Lu-Pd",
"density": 10.116498361161332,
"density_atomic": 0.03978864273300169,
"volume": 603.1871999517541,
"volume_molar": 15.135325928082201,
"formula_full": "Lu16 Cd4 Pd4",
"formula_reduced": "Lu4CdPd",
"formula_anonymous": "ABC4",
"energy": -108.097194,
"energy_per_atom": -4.50404975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.097194,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.4369609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.032000Z",
"spacegroup": 216
},
{
"id": "mp-31449",
"created_at": "2022-09-04T14:42:19.055431Z",
"structure_string": "Ho2 Ag2 Pb2\n1.0\n2.409224 -4.172898 0.000000\n2.409224 4.172898 0.000000\n0.000000 0.000000 7.499781\nHo Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.013286 Ho\n0.000000 0.000000 0.513286 Ho\n0.666667 0.333333 0.332089 Ag\n0.333333 0.666667 0.832089 Ag\n0.333333 0.666667 0.234525 Pb\n0.666667 0.333333 0.734525 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ho-Pb",
"density": 10.57122858781518,
"density_atomic": 0.03978851429622683,
"volume": 150.7972867579271,
"volume_molar": 15.135374784705354,
"formula_full": "Ho2 Ag2 Pb2",
"formula_reduced": "HoAgPb",
"formula_anonymous": "ABC",
"energy": -24.58770803,
"energy_per_atom": -4.097951338333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.58770803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.110000Z",
"spacegroup": 186
}
]
}