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{
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"structure_string": "Y1 Al3 B4 O12\n1.0\n5.731985 -0.005727 -1.470420\n-1.893893 5.410070 -1.470420\n-0.004067 -0.005727 5.917582\nY Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Y\n-0.000000 0.555566 0.444433 Al\n0.444433 -0.000001 0.555566 Al\n0.555567 0.444433 0.000000 Al\n0.056689 0.499999 0.943310 B\n0.500000 0.499999 0.500000 B\n0.943311 0.056688 0.500000 B\n0.500001 0.943310 0.056689 B\n0.779576 0.028889 0.628142 O\n0.628143 0.779576 0.028890 O\n0.028890 0.628142 0.779576 O\n0.351500 0.648500 0.500000 O\n0.648501 0.499999 0.351500 O\n0.091368 0.908631 0.500000 O\n0.500000 0.091367 0.908631 O\n0.908633 0.499999 0.091368 O\n0.971110 0.220423 0.371857 O\n0.371858 0.971109 0.220424 O\n0.220423 0.371857 0.971109 O\n0.500000 0.351499 0.648500 O\n",
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{
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"structure_string": "Zn2 Ge4 W2 O12\n1.0\n4.887977 -0.438758 0.616691\n0.445564 7.627465 1.603978\n-0.918950 0.980887 7.690441\nZn Ge W O\n2 4 2 12\ndirect\n0.750000 0.365962 0.634038 Zn\n0.250000 0.634038 0.365962 Zn\n0.709091 0.419975 0.197204 Ge\n0.790909 0.802795 0.580025 Ge\n0.290909 0.580025 0.802796 Ge\n0.209091 0.197204 0.419975 Ge\n0.750000 0.893678 0.106322 W\n0.250000 0.106322 0.893678 W\n0.535810 0.965828 0.857201 O\n0.964190 0.142799 0.034172 O\n0.562499 0.671957 0.176962 O\n0.937501 0.823038 0.328043 O\n0.437501 0.328043 0.823038 O\n0.962164 0.563493 0.675713 O\n0.037836 0.436507 0.324287 O\n0.462164 0.675713 0.563493 O\n0.035810 0.857200 0.965829 O\n0.537836 0.324286 0.436507 O\n0.062499 0.176962 0.671957 O\n0.464189 0.034172 0.142799 O\n",
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{
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"structure_string": "Zr4 Pb4 S12\n1.0\n3.803540 -0.000000 0.000000\n-0.000000 9.113608 0.000000\n0.000000 0.000000 13.947818\nZr Pb S\n4 4 12\ndirect\n0.750000 0.831927 0.951182 Zr\n0.250000 0.168073 0.048818 Zr\n0.750000 0.331927 0.548818 Zr\n0.250000 0.668073 0.451182 Zr\n0.750000 0.484750 0.174584 Pb\n0.750000 0.984750 0.325416 Pb\n0.250000 0.015251 0.674584 Pb\n0.250000 0.515251 0.825416 Pb\n0.250000 0.773182 0.283760 S\n0.750000 0.226818 0.716240 S\n0.250000 0.509005 0.605628 S\n0.750000 0.832198 0.512572 S\n0.250000 0.167802 0.487429 S\n0.750000 0.332198 0.987429 S\n0.250000 0.667802 0.012571 S\n0.750000 0.990996 0.105628 S\n0.250000 0.009005 0.894372 S\n0.750000 0.490995 0.394372 S\n0.750000 0.726819 0.783760 S\n0.250000 0.273182 0.216240 S\n",
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{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
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{
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"created_at": "2022-09-04T14:37:56.984277Z",
"updated_at": "2022-09-04T14:37:56.984307Z",
"structure_string": "Li5 Mn2 Co3 O10\n1.0\n4.994936 -0.013288 0.037037\n0.828838 4.933557 0.011903\n2.438711 2.096201 6.894657\nLi Mn Co O\n5 2 3 10\ndirect\n0.499178 0.780330 0.408626 Li\n0.511944 0.588493 0.788049 Li\n0.000294 0.500832 0.499330 Li\n0.497873 0.215397 0.588707 Li\n0.498322 0.397354 0.213348 Li\n0.001513 0.900669 0.694533 Mn\n0.995010 0.104738 0.302349 Mn\n0.996461 0.306766 0.895853 Co\n0.013841 0.702620 0.105714 Co\n0.491039 0.986386 0.001062 Co\n0.223782 0.134792 0.454851 O\n0.226469 0.973632 0.843327 O\n0.772322 0.870197 0.542391 O\n0.767834 0.653275 0.930754 O\n0.247969 0.769188 0.254528 O\n0.224386 0.563677 0.666471 O\n0.765652 0.432751 0.343317 O\n0.764873 0.226779 0.762579 O\n0.227316 0.335443 0.052346 O\n0.770883 0.063476 0.141959 O\n",
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{
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"created_at": "2022-09-04T14:37:43.132651Z",
"updated_at": "2022-09-04T14:37:43.132682Z",
"structure_string": "Ba2 Tb2 Mn4 O12\n1.0\n5.513420 0.012567 0.000000\n0.088489 5.512722 0.000000\n0.000000 0.000000 7.696393\nTb Ba Mn O\n2 2 4 12\ndirect\n0.237458 0.237458 0.500000 Tb\n0.762543 0.762543 0.500000 Tb\n0.247114 0.247114 0.000000 Ba\n0.752886 0.752886 0.000000 Ba\n0.749578 0.250423 0.258415 Mn\n0.250422 0.749578 0.258415 Mn\n0.250422 0.749578 0.741584 Mn\n0.749578 0.250423 0.741584 Mn\n0.730343 0.269658 0.000000 O\n0.500000 0.000000 0.715372 O\n0.000000 0.000000 0.760352 O\n0.500000 0.500000 0.689510 O\n0.000000 0.500000 0.284628 O\n0.269657 0.730343 0.000000 O\n0.500000 0.500000 0.310490 O\n0.193948 0.806052 0.500000 O\n0.000000 0.000000 0.239648 O\n0.500000 0.000000 0.284628 O\n0.806052 0.193948 0.500000 O\n0.000000 0.500000 0.715372 O\n",
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{
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"structure_string": "Mn2 P4 O14\n1.0\n4.956428 0.102701 -0.138757\n-1.617272 6.001792 -0.126459\n-1.092843 -3.667994 7.912175\nMn P O\n2 4 14\ndirect\n0.078167 0.594018 0.364367 Mn\n0.921834 0.405982 0.635633 Mn\n0.244104 0.127151 0.363337 P\n0.605195 0.691928 0.879311 P\n0.394806 0.308072 0.120689 P\n0.755897 0.872850 0.636663 P\n0.693314 0.456702 0.252687 O\n0.810501 0.532579 0.830916 O\n0.627237 0.802992 0.063663 O\n0.538626 0.243491 0.493187 O\n0.268638 0.091497 0.179588 O\n0.731363 0.908503 0.820413 O\n0.189501 0.467421 0.169084 O\n0.372765 0.197009 0.936337 O\n0.942794 0.694845 0.587917 O\n0.306687 0.543299 0.747313 O\n0.057208 0.305155 0.412083 O\n0.066611 0.880977 0.348148 O\n0.461376 0.756510 0.506813 O\n0.933390 0.119024 0.651852 O\n",
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{
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"created_at": "2022-09-04T14:38:02.135054Z",
"updated_at": "2022-09-04T14:38:02.135073Z",
"structure_string": "Na1 Mn7 O12\n1.0\n5.987595 -0.000000 -2.116935\n-2.993798 5.185410 -2.116935\n0.000000 0.000000 6.350804\nNa Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000001 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n-0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.311283 0.129043 0.817760 O\n0.870957 0.182240 0.688718 O\n0.817761 0.311283 0.129044 O\n0.506477 0.817760 0.688718 O\n0.688717 0.870957 0.182241 O\n0.129043 0.817760 0.311283 O\n0.493523 0.182240 0.311283 O\n0.311283 0.493523 0.182240 O\n0.817761 0.688717 0.506478 O\n0.182240 0.688717 0.870957 O\n0.182240 0.311283 0.493523 O\n0.688717 0.506477 0.817761 O\n",
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"formula_full": "Na1 Mn7 O12",
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{
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"created_at": "2022-09-04T14:37:38.383913Z",
"updated_at": "2022-09-04T14:37:38.383935Z",
"structure_string": "Pr4 Ru4 O12\n1.0\n5.358590 0.000000 0.000000\n0.000000 5.973312 0.000000\n0.000000 0.000000 7.817336\nPr Ru O\n4 4 12\ndirect\n0.026446 0.925598 0.750000 Pr\n0.526446 0.574401 0.250000 Pr\n0.473554 0.425599 0.750000 Pr\n0.973554 0.074401 0.250000 Pr\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.184052 0.197695 0.951189 O\n0.684052 0.302304 0.048812 O\n0.315948 0.697695 0.951189 O\n0.815948 0.802304 0.048812 O\n0.184052 0.197695 0.548812 O\n0.398908 0.966218 0.250000 O\n0.101092 0.466218 0.250000 O\n0.601092 0.033782 0.750000 O\n0.815948 0.802304 0.451188 O\n0.898908 0.533782 0.750000 O\n0.684052 0.302304 0.451188 O\n0.315948 0.697695 0.548812 O\n",
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},
{
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"created_at": "2022-09-04T14:37:51.670913Z",
"updated_at": "2022-09-04T14:37:51.670939Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.662098 -0.089719\n6.538849 0.000000 0.000000\n0.000000 -2.126545 -9.525955\nSn Cl\n4 16\ndirect\n0.247231 0.081001 0.872667 Sn\n0.752770 0.581001 0.627334 Sn\n0.752770 0.919000 0.127334 Sn\n0.247230 0.418999 0.372667 Sn\n0.563760 0.087245 0.191176 Cl\n0.436241 0.587245 0.308825 Cl\n0.313369 0.415013 0.934532 Cl\n0.686632 0.915013 0.565469 Cl\n0.686631 0.584987 0.065469 Cl\n0.313369 0.084987 0.434531 Cl\n0.056351 0.077773 0.682969 Cl\n0.943650 0.922227 0.317032 Cl\n0.563760 0.412755 0.691176 Cl\n0.056351 0.422227 0.182969 Cl\n0.187109 0.587898 0.561034 Cl\n0.812892 0.087898 0.938967 Cl\n0.812892 0.412102 0.438967 Cl\n0.187109 0.912102 0.061034 Cl\n0.943650 0.577774 0.817032 Cl\n0.436241 0.912755 0.808825 Cl\n",
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]
}