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{
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{
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{
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"created_at": "2022-09-04T14:41:15.138229Z",
"structure_string": "Ce8 Sb1 Pd24\n1.0\n8.501647 0.000000 0.000000\n0.000000 8.501647 0.000000\n0.000000 0.000000 8.501647\nCe Sb Pd\n8 1 24\ndirect\n0.752592 0.752592 0.247408 Ce\n0.752592 0.247408 0.752592 Ce\n0.247408 0.752592 0.752592 Ce\n0.752592 0.752592 0.752592 Ce\n0.752592 0.247408 0.247408 Ce\n0.247408 0.247408 0.752592 Ce\n0.247408 0.752592 0.247408 Ce\n0.247408 0.247408 0.247408 Ce\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.316857 Pd\n0.731849 0.000000 0.500000 Pd\n0.731849 0.500000 0.000000 Pd\n0.500000 0.000000 0.731849 Pd\n0.000000 0.731849 0.500000 Pd\n0.500000 0.000000 0.268151 Pd\n0.000000 0.268151 0.500000 Pd\n0.500000 0.731849 0.000000 Pd\n0.255331 0.500000 0.500000 Pd\n0.500000 0.500000 0.744669 Pd\n0.500000 0.500000 0.255331 Pd\n0.500000 0.255331 0.500000 Pd\n0.500000 0.744669 0.500000 Pd\n0.744669 0.500000 0.500000 Pd\n0.316857 0.000000 0.000000 Pd\n0.000000 0.000000 0.683143 Pd\n0.000000 0.500000 0.268151 Pd\n0.000000 0.316857 0.000000 Pd\n0.000000 0.683143 0.000000 Pd\n0.683143 0.000000 0.000000 Pd\n0.268151 0.500000 0.000000 Pd\n0.268151 0.000000 0.500000 Pd\n0.000000 0.500000 0.731849 Pd\n0.500000 0.268151 0.000000 Pd\n",
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{
"id": "mp-1204826",
"created_at": "2022-09-04T14:46:30.991479Z",
"structure_string": "Hf24 Cr16 Ga32\n1.0\n5.258488 0.000000 0.000000\n0.000000 13.531942 0.000000\n0.000000 0.000000 16.709179\nHf Cr Ga\n24 16 32\ndirect\n0.250000 0.356820 0.462279 Hf\n0.250000 0.143180 0.962279 Hf\n0.750000 0.643180 0.537721 Hf\n0.750000 0.856820 0.037721 Hf\n0.250000 0.968731 0.435062 Hf\n0.250000 0.531269 0.935062 Hf\n0.750000 0.031269 0.564938 Hf\n0.750000 0.468731 0.064938 Hf\n0.250000 0.733467 0.442144 Hf\n0.250000 0.766533 0.942144 Hf\n0.750000 0.266533 0.557856 Hf\n0.750000 0.233467 0.057856 Hf\n0.250000 0.975360 0.673483 Hf\n0.250000 0.524640 0.173483 Hf\n0.750000 0.024640 0.326517 Hf\n0.750000 0.475360 0.826517 Hf\n0.250000 0.819749 0.153878 Hf\n0.250000 0.680251 0.653878 Hf\n0.750000 0.180251 0.846122 Hf\n0.750000 0.319749 0.346122 Hf\n0.250000 0.187279 0.286013 Hf\n0.250000 0.312721 0.786013 Hf\n0.750000 0.812721 0.713987 Hf\n0.750000 0.687279 0.213987 Hf\n0.015101 0.960916 0.872589 Cr\n0.484899 0.539084 0.372589 Cr\n0.515101 0.039084 0.127411 Cr\n0.984899 0.460916 0.627411 Cr\n0.984899 0.039084 0.127411 Cr\n0.515101 0.460916 0.627411 Cr\n0.484899 0.960916 0.872589 Cr\n0.015101 0.539084 0.372589 Cr\n0.024067 0.835939 0.314949 Cr\n0.475933 0.664061 0.814949 Cr\n0.524067 0.164061 0.685051 Cr\n0.975933 0.335939 0.185051 Cr\n0.975933 0.164061 0.685051 Cr\n0.524067 0.335939 0.185051 Cr\n0.475933 0.835939 0.314949 Cr\n0.024067 0.664061 0.814949 Cr\n0.250000 0.125931 0.560580 Ga\n0.250000 0.374069 0.060580 Ga\n0.750000 0.874069 0.439420 Ga\n0.750000 0.625931 0.939420 Ga\n0.250000 0.948563 0.016882 Ga\n0.250000 0.551437 0.516882 Ga\n0.750000 0.051437 0.983118 Ga\n0.750000 0.448563 0.483118 Ga\n0.250000 0.106198 0.802725 Ga\n0.250000 0.393802 0.302725 Ga\n0.750000 0.893802 0.197275 Ga\n0.750000 0.606198 0.697275 Ga\n0.250000 0.195904 0.122177 Ga\n0.250000 0.304096 0.622177 Ga\n0.750000 0.804096 0.877823 Ga\n0.750000 0.695904 0.377823 Ga\n0.250000 0.826528 0.784018 Ga\n0.250000 0.673472 0.284018 Ga\n0.750000 0.173472 0.215982 Ga\n0.750000 0.326528 0.715982 Ga\n0.250000 0.986453 0.256260 Ga\n0.250000 0.513547 0.756260 Ga\n0.750000 0.013547 0.743740 Ga\n0.750000 0.486453 0.243740 Ga\n0.994377 0.160337 0.430989 Ga\n0.505623 0.339663 0.930989 Ga\n0.494377 0.839663 0.569011 Ga\n0.005623 0.660337 0.069011 Ga\n0.005623 0.839663 0.569011 Ga\n0.494377 0.660337 0.069011 Ga\n0.505623 0.160337 0.430989 Ga\n0.994377 0.339663 0.930989 Ga\n",
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{
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{
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},
{
"id": "mp-1106276",
"created_at": "2022-09-04T14:41:16.398104Z",
"structure_string": "Tb12 Ir4\n1.0\n6.370042 0.000000 0.000000\n0.000000 7.263957 0.000000\n0.000000 0.000000 9.358357\nTb Ir\n12 4\ndirect\n0.328727 0.676384 0.063502 Tb\n0.171273 0.176384 0.436498 Tb\n0.671273 0.323616 0.563502 Tb\n0.828727 0.823616 0.936498 Tb\n0.671273 0.323616 0.936498 Tb\n0.828727 0.823616 0.563502 Tb\n0.328727 0.676384 0.436498 Tb\n0.171273 0.176384 0.063502 Tb\n0.865398 0.535258 0.250000 Tb\n0.634602 0.035258 0.250000 Tb\n0.134602 0.464742 0.750000 Tb\n0.365398 0.964742 0.750000 Tb\n0.051416 0.881749 0.250000 Ir\n0.448584 0.381749 0.250000 Ir\n0.948584 0.118251 0.750000 Ir\n0.551416 0.618251 0.750000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Ir"
],
"chemical_system": "Ir-Tb",
"density": 10.261610493295088,
"density_atomic": 0.036949180764297464,
"volume": 433.02719218771335,
"volume_molar": 16.29844190163739,
"formula_full": "Tb12 Ir4",
"formula_reduced": "Tb3Ir",
"formula_anonymous": "AB3",
"energy": -100.01679067,
"energy_per_atom": -6.251049416875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.01679067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003269,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.806000Z",
"spacegroup": 62
}
]
}