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{
"id": "jvasp-97804",
"created_at": "2022-09-04T14:38:08.186446Z",
"updated_at": "2022-09-04T14:38:08.186473Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.695616 0.000000 0.000000\n0.000000 8.684696 -0.000000\n0.000000 0.000000 9.495653\nTi Mn Si\n12 12 24\ndirect\n0.239634 0.828146 0.453141 Ti\n0.239634 0.171855 0.546859 Ti\n0.760366 0.328146 0.046859 Ti\n0.760366 0.671855 0.953140 Ti\n0.760366 0.171855 0.546859 Ti\n0.760366 0.828146 0.453141 Ti\n0.239634 0.671855 0.953140 Ti\n0.239634 0.328146 0.046859 Ti\n0.000000 0.331107 0.320638 Ti\n0.000000 0.668893 0.679362 Ti\n0.000000 0.831107 0.179362 Ti\n0.000000 0.168893 0.820638 Ti\n0.243692 0.500000 0.500000 Mn\n0.248167 0.584415 0.246861 Mn\n0.248167 0.415586 0.753139 Mn\n0.751833 0.084415 0.253139 Mn\n0.751833 0.915586 0.746861 Mn\n0.751833 0.415586 0.753139 Mn\n0.751833 0.584415 0.246861 Mn\n0.248167 0.915586 0.746861 Mn\n0.243692 0.000000 0.000000 Mn\n0.756309 0.500000 0.500000 Mn\n0.248167 0.084415 0.253139 Mn\n0.756309 0.000000 0.000000 Mn\n0.500000 0.037001 0.377065 Si\n0.654969 0.331777 0.317725 Si\n0.000000 0.462269 0.879224 Si\n0.000000 0.537731 0.120776 Si\n0.000000 0.962270 0.620776 Si\n0.000000 0.037731 0.379224 Si\n0.000000 0.370433 0.602715 Si\n0.000000 0.629567 0.397285 Si\n0.000000 0.870434 0.897285 Si\n0.500000 0.374357 0.595715 Si\n0.500000 0.625644 0.404285 Si\n0.345031 0.168223 0.817724 Si\n0.500000 0.874357 0.904285 Si\n0.500000 0.462999 0.877065 Si\n0.500000 0.537001 0.122935 Si\n0.500000 0.962999 0.622935 Si\n0.000000 0.129567 0.102715 Si\n0.345031 0.331777 0.317725 Si\n0.654969 0.831778 0.182275 Si\n0.345031 0.831778 0.182275 Si\n0.654969 0.168223 0.817724 Si\n0.654969 0.668223 0.682275 Si\n0.500000 0.125643 0.095715 Si\n0.345031 0.668223 0.682275 Si\n",
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{
"id": "jvasp-30354",
"created_at": "2022-09-04T14:37:13.859974Z",
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"structure_string": "Cr1 Co5 O12\n1.0\n2.437888 4.234718 0.001702\n-2.461462 4.236134 0.000850\n0.002477 0.004302 8.737255\nCr Co O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.166600 0.666798 0.500000 Co\n0.666708 0.666585 -0.000000 Co\n0.333293 0.333414 -0.000000 Co\n0.833401 0.333200 0.500000 Co\n0.500001 -0.000001 0.500000 Co\n-0.000006 0.329190 0.892211 O\n0.329044 -0.000000 0.107897 O\n0.670816 0.329191 0.107788 O\n0.833049 0.666665 0.605727 O\n0.166397 -0.000001 0.605895 O\n0.166952 0.333333 0.394272 O\n0.500285 0.666666 0.394272 O\n0.670957 -0.000001 0.892102 O\n0.329185 0.670807 0.892211 O\n0.000006 0.670808 0.107788 O\n0.499715 0.333333 0.605727 O\n0.833604 -0.000001 0.394104 O\n",
"nsites": 18,
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"volume": 181.30514967193378,
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"formula_full": "Cr1 Co5 O12",
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{
"id": "jvasp-79907",
"created_at": "2022-09-04T14:37:17.849893Z",
"updated_at": "2022-09-04T14:37:17.849912Z",
"structure_string": "Nb1 In1 Ru2\n1.0\n-0.000013 3.194918 3.194893\n3.194956 0.000013 3.194911\n3.194969 3.194970 -0.000056\nNb In Ru\n1 1 2\ndirect\n0.749999 0.750001 0.750011 Nb\n0.249999 0.250000 0.249998 In\n0.000002 -0.000001 -0.000010 Ru\n0.499996 0.500000 0.500004 Ru\n",
"nsites": 4,
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"volume": 65.22594177383928,
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"formula_full": "Nb1 In1 Ru2",
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},
{
"id": "jvasp-111307",
"created_at": "2022-09-04T14:38:46.627968Z",
"updated_at": "2022-09-04T14:38:46.627991Z",
"structure_string": "Zr1 Mn1 Rh2\n1.0\n3.882782 -0.000000 2.241725\n1.294261 3.660722 2.241725\n-0.000000 -0.000000 4.483450\nZr Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500001 Mn\n0.250000 0.250000 0.250001 Rh\n0.750000 0.750000 0.750002 Rh\n",
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{
"id": "jvasp-26950",
"created_at": "2022-09-04T14:37:58.620100Z",
"updated_at": "2022-09-04T14:37:58.620121Z",
"structure_string": "Ho8 Ti12 Si16\n1.0\n7.054518 0.000000 0.000000\n0.000000 7.054518 -0.000000\n-0.000000 -0.000000 12.948117\nHo Ti Si\n8 12 16\ndirect\n0.340364 0.001655 0.466950 Ho\n0.498345 0.840364 0.716950 Ho\n0.501655 0.159636 0.216950 Ho\n0.840364 0.498345 0.283050 Ho\n0.159636 0.501655 0.783050 Ho\n0.659637 0.998346 0.966950 Ho\n0.001655 0.340364 0.533050 Ho\n0.998346 0.659637 0.033050 Ho\n0.992671 0.847061 0.624102 Ti\n0.007329 0.152940 0.124102 Ti\n0.347061 0.507329 0.374102 Ti\n0.652940 0.492671 0.874102 Ti\n0.507329 0.347061 0.625898 Ti\n0.847061 0.992671 0.375898 Ti\n0.152940 0.007329 0.875898 Ti\n0.672230 0.672230 0.500000 Ti\n0.827770 0.172230 0.750000 Ti\n0.172230 0.827770 0.250000 Ti\n0.327770 0.327770 0.000000 Ti\n0.492671 0.652940 0.125898 Ti\n0.708878 0.045173 0.564927 Si\n0.208878 0.454827 0.185073 Si\n0.791123 0.545174 0.685073 Si\n0.454827 0.208878 0.814927 Si\n0.545174 0.791123 0.314927 Si\n0.291122 0.954827 0.064927 Si\n0.869599 0.797491 0.816927 Si\n0.297491 0.630401 0.566927 Si\n0.797491 0.869599 0.183073 Si\n0.702509 0.369599 0.066927 Si\n0.630401 0.297491 0.433074 Si\n0.369599 0.702509 0.933074 Si\n0.202509 0.130401 0.683074 Si\n0.954827 0.291122 0.935073 Si\n0.130401 0.202509 0.316927 Si\n0.045173 0.708878 0.435073 Si\n",
"nsites": 36,
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],
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"formula_full": "Ho8 Ti12 Si16",
"formula_reduced": "Ho2Ti3Si4",
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{
"id": "jvasp-95052",
"created_at": "2022-09-04T14:36:14.910445Z",
"updated_at": "2022-09-04T14:36:14.910473Z",
"structure_string": "Yb1 Al1 B4\n1.0\n-3.136235 0.000000 0.000000\n0.000000 0.000000 -3.597380\n0.000000 -5.389764 0.000000\nYb Al B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.000000 0.500000 Al\n0.499999 0.500000 0.182870 B\n0.499999 0.500000 0.817129 B\n0.000000 0.500000 0.341727 B\n0.000000 0.500000 0.658272 B\n",
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"formula_full": "Yb1 Al1 B4",
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{
"id": "jvasp-63201",
"created_at": "2022-09-04T14:35:48.850459Z",
"updated_at": "2022-09-04T14:35:48.850488Z",
"structure_string": "Yb1 Al1 B4\n1.0\n3.136177 -0.000000 0.000000\n-0.000000 3.597887 0.000000\n0.000000 0.000000 5.389665\nYb Al B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.182850 B\n0.500000 0.500000 0.817151 B\n0.000000 0.500000 0.341714 B\n0.000000 0.500000 0.658287 B\n",
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{
"id": "jvasp-70858",
"created_at": "2022-09-04T14:35:57.627889Z",
"updated_at": "2022-09-04T14:35:57.627908Z",
"structure_string": "Be1 Mo1 P2\n1.0\n3.206897 0.000000 0.000000\n0.000000 3.206897 0.000000\n-0.000000 0.000000 5.924925\nBe Mo P\n1 1 2\ndirect\n0.000000 0.000000 0.496325 Be\n0.500000 0.500000 0.745539 Mo\n0.000000 0.000000 0.905076 P\n0.500000 0.500000 0.353061 P\n",
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{
"id": "jvasp-36373",
"created_at": "2022-09-04T14:37:18.552688Z",
"updated_at": "2022-09-04T14:37:18.552719Z",
"structure_string": "Ca1 C2\n1.0\n2.398884 1.384997 2.152067\n-2.398884 1.384997 2.152067\n0.000000 -2.769993 2.152067\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.597624 0.597624 0.597622 C\n0.402379 0.402379 0.402377 C\n",
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{
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"created_at": "2022-09-04T14:38:39.911057Z",
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"structure_string": "Ce3 Th3 Si4\n1.0\n7.766653 0.004074 0.000000\n-0.013984 7.766641 0.000000\n0.000000 0.000000 4.168427\nCe Th Si\n3 3 4\ndirect\n0.501915 0.996507 0.000000 Ce\n0.996508 0.501914 0.000000 Ce\n0.681505 0.681505 0.500000 Ce\n0.319197 0.319197 0.500000 Th\n0.180716 0.818494 0.500000 Th\n0.818494 0.180715 0.500000 Th\n0.113739 0.113739 0.000000 Si\n0.884333 0.884332 0.000000 Si\n0.614601 0.388993 0.000000 Si\n0.388993 0.614600 0.000000 Si\n",
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{
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"structure_string": "Li2 Ir1 N2\n1.0\n3.254111 -0.000000 -0.000001\n-1.627053 2.818142 0.000000\n0.000000 0.000000 4.966921\nLi Ir N\n2 1 2\ndirect\n0.666667 0.333333 0.358820 Li\n0.333333 0.666667 0.641180 Li\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.790675 N\n0.333333 0.666667 0.209325 N\n",
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{
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"created_at": "2022-09-04T14:36:48.441579Z",
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"structure_string": "Ti1 Cr1 P2\n1.0\n3.467222 -0.000000 0.000000\n-1.733611 3.002702 0.000000\n0.000000 0.000000 5.744354\nTi Cr P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666666 0.265730 P\n0.666666 0.333333 0.734270 P\n",
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}
]
}