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{
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{
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"structure_string": "Ca12 Ge12 Rh8 O48\n1.0\n-6.258332 6.258332 6.258332\n6.258332 -6.258332 6.258332\n6.258332 6.258332 -6.258332\nCa Ge Rh O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.480268 0.379353 0.293315 O\n0.519732 0.620647 0.706685 O\n0.586038 0.186953 0.206685 O\n0.913962 0.120647 0.600914 O\n0.293315 0.480268 0.379353 O\n0.313047 0.913962 0.293315 O\n0.413962 0.813047 0.793315 O\n0.086038 0.879353 0.399086 O\n0.706685 0.519732 0.620647 O\n0.686953 0.086038 0.706685 O\n0.019732 0.313047 0.899086 O\n0.206685 0.586038 0.186953 O\n0.120647 0.019732 0.206685 O\n0.980268 0.686953 0.100914 O\n0.793315 0.413962 0.813047 O\n0.879353 0.980268 0.793315 O\n0.600914 0.913962 0.120647 O\n0.186953 0.480268 0.600914 O\n0.399086 0.086038 0.879353 O\n0.813047 0.519732 0.399086 O\n0.899086 0.019732 0.313047 O\n0.379353 0.586038 0.899086 O\n0.100914 0.980268 0.686953 O\n0.620647 0.413962 0.100914 O\n0.379353 0.293315 0.480268 O\n0.586038 0.899086 0.379353 O\n0.620647 0.706685 0.519732 O\n0.413962 0.100914 0.620647 O\n0.120647 0.600914 0.913962 O\n0.019732 0.206685 0.120647 O\n0.879353 0.399086 0.086038 O\n0.980268 0.793315 0.879353 O\n0.313047 0.899086 0.019732 O\n0.913962 0.293315 0.313047 O\n0.686953 0.100914 0.980268 O\n0.086038 0.706685 0.686953 O\n0.186953 0.206685 0.586038 O\n0.480268 0.600914 0.186953 O\n0.813047 0.793315 0.413962 O\n0.519732 0.399086 0.813047 O\n0.293315 0.313047 0.913962 O\n0.706685 0.686953 0.086038 O\n0.206685 0.120647 0.019732 O\n0.793315 0.879353 0.980268 O\n0.899086 0.379353 0.586038 O\n0.100914 0.620647 0.413962 O\n0.600914 0.186953 0.480268 O\n0.399086 0.813047 0.519732 O\n",
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{
"id": "mp-774525",
"created_at": "2022-09-04T14:40:39.144904Z",
"structure_string": "Li8 Ti6 Mn8 Co4 O36\n1.0\n2.907344 0.000000 0.000000\n0.000000 8.913360 0.000000\n0.000000 0.000000 25.071244\nLi Ti Mn Co O\n8 6 8 4 36\ndirect\n0.500000 0.937994 0.990510 Li\n0.500000 0.950724 0.212729 Li\n0.500000 0.049276 0.712729 Li\n0.500000 0.062006 0.490510 Li\n0.500000 0.431347 0.500703 Li\n0.500000 0.436144 0.298729 Li\n0.500000 0.563856 0.798729 Li\n0.500000 0.568653 0.000703 Li\n0.500000 0.755479 0.103614 Ti\n0.500000 0.244521 0.603614 Ti\n0.500000 0.243183 0.391605 Ti\n0.000000 0.390497 0.695906 Ti\n0.000000 0.609503 0.195906 Ti\n0.500000 0.756817 0.891605 Ti\n0.500000 0.790044 0.314762 Mn\n0.000000 0.883736 0.585098 Mn\n0.000000 0.116264 0.085098 Mn\n0.500000 0.209956 0.814762 Mn\n0.500000 0.266138 0.190886 Mn\n0.000000 0.385394 0.915005 Mn\n0.000000 0.614606 0.415005 Mn\n0.500000 0.733862 0.690886 Mn\n0.500000 0.747183 0.500526 Co\n0.000000 0.894598 0.806150 Co\n0.000000 0.105402 0.306150 Co\n0.500000 0.252817 0.000526 Co\n0.500000 0.755115 0.424509 O\n0.500000 0.743262 0.577273 O\n0.000000 0.798038 0.940276 O\n0.000000 0.806519 0.159446 O\n0.000000 0.856967 0.661817 O\n0.500000 0.855451 0.759375 O\n0.000000 0.891467 0.507694 O\n0.000000 0.903043 0.280961 O\n0.500000 0.942035 0.855739 O\n0.500000 0.972718 0.084527 O\n0.500000 0.027282 0.584527 O\n0.500000 0.057965 0.355739 O\n0.000000 0.096957 0.780961 O\n0.000000 0.108533 0.007694 O\n0.500000 0.144549 0.259375 O\n0.000000 0.143033 0.161817 O\n0.000000 0.193481 0.659446 O\n0.000000 0.201962 0.440276 O\n0.500000 0.256738 0.077273 O\n0.500000 0.244885 0.924509 O\n0.000000 0.289853 0.557011 O\n0.000000 0.306290 0.338703 O\n0.000000 0.341912 0.840023 O\n0.500000 0.354509 0.743472 O\n0.000000 0.397303 0.992513 O\n0.000000 0.396152 0.214683 O\n0.500000 0.430429 0.642472 O\n0.500000 0.471294 0.413414 O\n0.500000 0.528706 0.913414 O\n0.500000 0.569571 0.142472 O\n0.000000 0.603848 0.714683 O\n0.000000 0.602697 0.492513 O\n0.500000 0.645491 0.243472 O\n0.000000 0.658088 0.340023 O\n0.000000 0.693710 0.838703 O\n0.000000 0.710147 0.057011 O\n",
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"formula_full": "Li8 Ti6 Mn8 Co4 O36",
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{
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{
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"structure_string": "Ho4 Mn2 Ni2 O12\n1.0\n5.602540 0.000000 0.000000\n0.000000 5.259630 0.000000\n0.000000 5.161065 7.575012\nHo Mn Ni O\n4 2 2 12\ndirect\n0.070682 0.725638 0.753039 Ho\n0.929318 0.274362 0.246961 Ho\n0.570682 0.274362 0.746961 Ho\n0.429318 0.725638 0.253039 Ho\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.458421 0.870317 0.742304 O\n0.541579 0.129683 0.257696 O\n0.958421 0.129683 0.757696 O\n0.041579 0.870317 0.242304 O\n0.790898 0.753073 0.561588 O\n0.209102 0.246927 0.438412 O\n0.290898 0.246927 0.938412 O\n0.709102 0.753073 0.061588 O\n0.311531 0.649456 0.551874 O\n0.688469 0.350544 0.448126 O\n0.811531 0.350544 0.948126 O\n0.188469 0.649456 0.051874 O\n",
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{
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{
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"structure_string": "K4 Li2 Mn4 O8\n1.0\n0.327188 6.452502 0.179020\n-0.188951 0.194393 6.646319\n6.459500 0.143977 -0.178930\nK Li Mn O\n4 2 4 8\ndirect\n0.973977 0.250001 0.973995 K\n0.015521 0.749998 0.015581 K\n0.500171 0.990272 0.010316 K\n0.009990 0.509700 0.500358 K\n0.353260 0.250024 0.353278 Li\n0.641885 0.750050 0.641806 Li\n0.817785 0.035566 0.419614 Mn\n0.207755 0.965139 0.586363 Mn\n0.586087 0.534831 0.207629 Mn\n0.419481 0.464248 0.817795 Mn\n0.310069 0.440037 0.107701 O\n0.107967 0.059852 0.310060 O\n0.880842 0.947160 0.683239 O\n0.683274 0.552885 0.880632 O\n0.671147 0.244152 0.290355 O\n0.692551 0.783857 0.337852 O\n0.290276 0.256004 0.670930 O\n0.337960 0.716225 0.692496 O\n",
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{
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"structure_string": "La1 Fe4 As12\n1.0\n-4.181546 4.181546 4.181546\n4.181546 -4.181546 4.181546\n4.181546 4.181546 -4.181546\nLa Fe As\n1 4 12\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.156827 0.812828 0.656001 As\n0.843173 0.187172 0.343999 As\n0.656001 0.156827 0.812828 As\n0.499174 0.656001 0.843173 As\n0.656001 0.843173 0.499174 As\n0.500826 0.343999 0.156827 As\n0.343999 0.843173 0.187172 As\n0.187172 0.343999 0.843173 As\n0.812828 0.656001 0.156827 As\n0.343999 0.156827 0.500826 As\n0.843173 0.499174 0.656001 As\n0.156827 0.500826 0.343999 As\n",
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{
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{
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{
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"structure_string": "Li3 Mn3 Ni1 O8\n1.0\n5.775096 0.000000 0.000000\n-0.026228 5.885113 0.000000\n-2.864229 -2.931018 4.290625\nLi Mn Ni O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.716603 0.741966 0.956909 O\n0.236132 0.741185 0.947682 O\n0.243712 0.276603 0.495274 O\n0.762953 0.290958 0.521491 O\n0.237047 0.709042 0.478509 O\n0.756288 0.723397 0.504726 O\n0.763868 0.258815 0.052318 O\n0.283397 0.258034 0.043091 O\n",
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{
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"structure_string": "Si8 O16\n1.0\n4.684624 0.000000 0.000000\n0.000000 4.684624 0.000000\n0.000000 0.000000 15.771199\nSi O\n8 16\ndirect\n0.576282 0.023481 0.096742 Si\n0.976519 0.576282 0.846742 Si\n0.023481 0.423718 0.346742 Si\n0.423718 0.023481 0.903258 Si\n0.976519 0.423718 0.653258 Si\n0.023481 0.576282 0.153258 Si\n0.423718 0.976519 0.596742 Si\n0.576282 0.976519 0.403258 Si\n0.885584 0.500000 0.750000 O\n0.797990 0.299466 0.126754 O\n0.700534 0.797990 0.876754 O\n0.202010 0.299466 0.873246 O\n0.500000 0.114416 0.000000 O\n0.200204 0.200204 0.625000 O\n0.200204 0.799796 0.875000 O\n0.799796 0.799796 0.125000 O\n0.299466 0.202010 0.376754 O\n0.799796 0.200204 0.375000 O\n0.797990 0.700534 0.373246 O\n0.202010 0.700534 0.626754 O\n0.500000 0.885584 0.500000 O\n0.114416 0.500000 0.250000 O\n0.700534 0.202010 0.623246 O\n0.299466 0.797990 0.123246 O\n",
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}