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{
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{
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{
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{
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{
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"structure_string": "Sr32 Al28\n1.0\n12.761895 0.000000 0.000000\n0.000000 12.761895 0.000000\n0.000000 0.000000 12.761895\nSr Al\n32 28\ndirect\n0.813125 0.813125 0.813125 Sr\n0.686875 0.186875 0.313125 Sr\n0.313125 0.686875 0.186875 Sr\n0.186875 0.313125 0.686875 Sr\n0.184624 0.184624 0.184624 Sr\n0.315376 0.815376 0.684624 Sr\n0.684624 0.315376 0.815376 Sr\n0.815376 0.684624 0.315376 Sr\n0.803486 0.559661 0.005915 Sr\n0.005915 0.803486 0.559661 Sr\n0.559661 0.005915 0.803486 Sr\n0.940339 0.994085 0.303486 Sr\n0.505915 0.696514 0.440339 Sr\n0.440339 0.505915 0.696514 Sr\n0.494085 0.196514 0.059661 Sr\n0.994085 0.303486 0.940339 Sr\n0.059661 0.494085 0.196514 Sr\n0.303486 0.940339 0.994085 Sr\n0.196514 0.059661 0.494085 Sr\n0.696514 0.440339 0.505915 Sr\n0.522733 0.705018 0.935976 Sr\n0.935976 0.522733 0.705018 Sr\n0.705018 0.935976 0.522733 Sr\n0.794982 0.064024 0.022733 Sr\n0.435976 0.977267 0.294982 Sr\n0.294982 0.435976 0.977267 Sr\n0.564024 0.477267 0.205018 Sr\n0.064024 0.022733 0.794982 Sr\n0.205018 0.564024 0.477267 Sr\n0.022733 0.794982 0.064024 Sr\n0.477267 0.205018 0.564024 Sr\n0.977267 0.294982 0.435976 Sr\n0.430816 0.430816 0.430816 Al\n0.069184 0.569184 0.930816 Al\n0.930816 0.069184 0.569184 Al\n0.569184 0.930816 0.069184 Al\n0.753113 0.190418 0.576451 Al\n0.576451 0.753113 0.190418 Al\n0.190418 0.576451 0.753113 Al\n0.309582 0.423549 0.253113 Al\n0.076451 0.746887 0.809582 Al\n0.809582 0.076451 0.746887 Al\n0.923549 0.246887 0.690418 Al\n0.423549 0.253113 0.309582 Al\n0.690418 0.923549 0.246887 Al\n0.253113 0.309582 0.423549 Al\n0.246887 0.690418 0.923549 Al\n0.746887 0.809582 0.076451 Al\n0.752320 0.684929 0.580688 Al\n0.580688 0.752320 0.684929 Al\n0.684929 0.580688 0.752320 Al\n0.815071 0.419312 0.252320 Al\n0.080688 0.747680 0.315071 Al\n0.315071 0.080688 0.747680 Al\n0.919312 0.247680 0.184929 Al\n0.419312 0.252320 0.815071 Al\n0.184929 0.919312 0.247680 Al\n0.252320 0.815071 0.419312 Al\n0.247680 0.184929 0.919312 Al\n0.747680 0.315071 0.080688 Al\n",
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{
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"structure_string": "Ho6 Co4 Si6\n1.0\n2.044737 -5.214119 0.000000\n2.044737 5.214119 0.000000\n0.000000 0.000000 13.547719\nHo Co Si\n6 4 6\ndirect\n0.638425 0.361575 0.250000 Ho\n0.361575 0.638425 0.750000 Ho\n0.919155 0.080845 0.111873 Ho\n0.080845 0.919155 0.888127 Ho\n0.080845 0.919155 0.611873 Ho\n0.919155 0.080845 0.388127 Ho\n0.786369 0.213631 0.580815 Co\n0.213631 0.786369 0.419185 Co\n0.213631 0.786369 0.080815 Co\n0.786369 0.213631 0.919185 Co\n0.330405 0.669595 0.250000 Si\n0.669595 0.330405 0.750000 Si\n0.621117 0.378883 0.039482 Si\n0.378883 0.621117 0.960518 Si\n0.378883 0.621117 0.539482 Si\n0.621117 0.378883 0.460518 Si\n",
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{
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{
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"is_magnetic": false,
"total_magnetization": 1.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.389000Z",
"spacegroup": 187
},
{
"id": "mp-1185525",
"created_at": "2022-09-04T14:39:23.153751Z",
"structure_string": "Lu6 Th2\n1.0\n3.521335 -6.099131 0.000000\n3.521335 6.099131 0.000000\n0.000000 0.000000 5.679913\nLu Th\n6 2\ndirect\n0.166043 0.332086 0.250000 Lu\n0.667914 0.833957 0.250000 Lu\n0.166043 0.833957 0.250000 Lu\n0.833957 0.667914 0.750000 Lu\n0.332086 0.166043 0.750000 Lu\n0.833957 0.166043 0.750000 Lu\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Th"
],
"chemical_system": "Lu-Th",
"density": 10.303695733762263,
"density_atomic": 0.03279011976386637,
"volume": 243.9759310917716,
"volume_molar": 18.365717488583865,
"formula_full": "Lu6 Th2",
"formula_reduced": "Lu3Th",
"formula_anonymous": "AB3",
"energy": -41.70659967,
"energy_per_atom": -5.21332495875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.70659967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0990248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.612000Z",
"spacegroup": 194
}
]
}