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{
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{
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{
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{
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"structure_string": "Zn9 As6 O28\n1.0\n6.632736 0.000000 0.000000\n2.271325 9.094936 0.000000\n2.081460 2.881250 9.745776\nZn As O\n9 6 28\ndirect\n0.000000 0.000000 0.500000 Zn\n0.561505 0.841575 0.720928 Zn\n0.438495 0.158425 0.279072 Zn\n0.956925 0.246120 0.666309 Zn\n0.043075 0.753880 0.333691 Zn\n0.207397 0.379551 0.971711 Zn\n0.792603 0.620449 0.028289 Zn\n0.529953 0.496169 0.700267 Zn\n0.470047 0.503831 0.299733 Zn\n0.742845 0.278248 0.983934 As\n0.257155 0.721752 0.016066 As\n0.979682 0.608787 0.693411 As\n0.020318 0.391213 0.306589 As\n0.503889 0.204852 0.576510 As\n0.496111 0.795148 0.423490 As\n0.006731 0.755786 0.544034 O\n0.993269 0.244214 0.455966 O\n0.521757 0.386540 0.907167 O\n0.478243 0.613460 0.092833 O\n0.672217 0.157084 0.138036 O\n0.327783 0.842916 0.861964 O\n0.486841 0.278150 0.401513 O\n0.513159 0.721850 0.598487 O\n0.628558 0.315738 0.625172 O\n0.371442 0.684262 0.374828 O\n0.909935 0.172287 0.881428 O\n0.090065 0.827713 0.118572 O\n0.883892 0.406746 0.994146 O\n0.116108 0.593254 0.005854 O\n0.663186 0.023580 0.592751 O\n0.336814 0.976420 0.407249 O\n0.804650 0.698075 0.807650 O\n0.195350 0.301925 0.192350 O\n0.211819 0.511884 0.753938 O\n0.788181 0.488116 0.246062 O\n0.271737 0.186614 0.679280 O\n0.728263 0.813386 0.320720 O\n0.864539 0.476173 0.664367 O\n0.135461 0.523827 0.335633 O\n0.995193 0.985843 0.319025 O\n0.004807 0.014157 0.680975 O\n0.221249 0.174948 0.931704 O\n0.778751 0.825052 0.068296 O\n",
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{
"id": "mp-779161",
"created_at": "2022-09-04T14:48:31.666211Z",
"structure_string": "Na8 Bi4 B8 S2 O32\n1.0\n0.000000 7.139779 7.444018\n7.068728 0.000000 7.444018\n7.068728 7.139779 0.000000\nNa Bi B S O\n8 4 8 2 32\ndirect\n0.953996 0.546004 0.953996 Na\n0.954619 0.545381 0.545381 Na\n0.704619 0.295381 0.295381 Na\n0.703996 0.296004 0.703996 Na\n0.546004 0.953996 0.546004 Na\n0.545381 0.954619 0.954619 Na\n0.295381 0.704619 0.704619 Na\n0.296004 0.703996 0.296004 Na\n0.125000 0.625000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.125000 Bi\n0.125000 0.125000 0.625000 Bi\n0.899448 0.274910 0.914273 B\n0.975090 0.350552 0.338631 B\n0.914273 0.911369 0.899448 B\n0.911369 0.914273 0.274910 B\n0.338631 0.335727 0.975090 B\n0.335727 0.338631 0.350552 B\n0.274910 0.899448 0.911369 B\n0.350552 0.975090 0.335727 B\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.020857 0.281905 0.931879 O\n0.556826 0.556055 0.320003 O\n0.761980 0.267751 0.042956 O\n0.982249 0.488020 0.322686 O\n0.042956 0.927314 0.761980 O\n0.967783 0.333511 0.213619 O\n0.320003 0.567116 0.556826 O\n0.556055 0.556826 0.567116 O\n0.485086 0.213619 0.333511 O\n0.927314 0.042956 0.267751 O\n0.968095 0.229143 0.484641 O\n0.567116 0.320003 0.556055 O\n0.931879 0.765359 0.020857 O\n0.765359 0.931879 0.281905 O\n0.916489 0.282217 0.764914 O\n0.213619 0.485086 0.967783 O\n0.036381 0.764914 0.282217 O\n0.333511 0.967783 0.485086 O\n0.484641 0.318121 0.968095 O\n0.318121 0.484641 0.229143 O\n0.682884 0.929997 0.693945 O\n0.281905 0.020857 0.765359 O\n0.322686 0.207044 0.982249 O\n0.764914 0.036381 0.916489 O\n0.693945 0.693174 0.682884 O\n0.929997 0.682884 0.693174 O\n0.282217 0.916489 0.036381 O\n0.207044 0.322686 0.488020 O\n0.267751 0.761980 0.927314 O\n0.488020 0.982249 0.207044 O\n0.693174 0.693945 0.929997 O\n0.229143 0.968095 0.318121 O\n",
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{
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"structure_string": "Cd8 S8 O24\n1.0\n12.823710 0.000000 0.000000\n0.000000 5.653769 0.000000\n0.000000 1.553060 8.614411\nCd S O\n8 8 24\ndirect\n0.419654 0.320503 0.884877 Cd\n0.254062 0.867002 0.653559 Cd\n0.919654 0.679497 0.615123 Cd\n0.745938 0.132998 0.346441 Cd\n0.754062 0.132998 0.846441 Cd\n0.580346 0.679497 0.115123 Cd\n0.080346 0.320503 0.384877 Cd\n0.245938 0.867002 0.153559 Cd\n0.325674 0.461486 0.483952 S\n0.174326 0.461486 0.983952 S\n0.825674 0.538514 0.016048 S\n0.674326 0.538514 0.516048 S\n0.978940 0.903200 0.247247 S\n0.521060 0.903200 0.747247 S\n0.021060 0.096800 0.752753 S\n0.478940 0.096800 0.252753 S\n0.091669 0.004592 0.245573 O\n0.240892 0.688118 0.919425 O\n0.576712 0.082236 0.837912 O\n0.759108 0.311882 0.080575 O\n0.259108 0.688118 0.419425 O\n0.656740 0.491873 0.348314 O\n0.978175 0.663608 0.365858 O\n0.745655 0.750631 0.004002 O\n0.343260 0.508127 0.651686 O\n0.908331 0.995408 0.754427 O\n0.021825 0.336392 0.634142 O\n0.754345 0.750631 0.504002 O\n0.408331 0.004592 0.745573 O\n0.156740 0.508127 0.151686 O\n0.843260 0.491873 0.848314 O\n0.245655 0.249369 0.495998 O\n0.740892 0.311882 0.580575 O\n0.076712 0.917764 0.662088 O\n0.923288 0.082236 0.337912 O\n0.591669 0.995408 0.254427 O\n0.521825 0.663608 0.865858 O\n0.254345 0.249369 0.995998 O\n0.478175 0.336392 0.134142 O\n0.423288 0.917764 0.162088 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.913098 0.000000 0.000000\n0.000000 8.282899 0.000000\n0.000000 4.049509 8.928713\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.145406 0.669626 Li\n0.000000 0.519459 0.992843 Li\n0.000000 0.836048 0.337157 Li\n0.500000 0.672500 0.148846 Li\n0.500000 0.993280 0.506828 Li\n0.500000 0.332544 0.842100 Li\n0.500000 0.827964 0.835785 Li\n0.000000 0.991632 0.996970 Mn\n0.500000 0.498490 0.503749 Mn\n0.000000 0.327312 0.332447 Co\n0.000000 0.684106 0.675128 Co\n0.500000 0.174569 0.161901 Co\n0.000000 0.768348 0.001026 O\n0.000000 0.097961 0.325634 O\n0.000000 0.430090 0.646350 O\n0.500000 0.267886 0.495114 O\n0.500000 0.583411 0.820169 O\n0.500000 0.929761 0.148906 O\n0.000000 0.565451 0.355045 O\n0.000000 0.906467 0.660036 O\n0.000000 0.232235 0.007716 O\n0.500000 0.074359 0.853607 O\n0.500000 0.411869 0.177954 O\n0.500000 0.728852 0.505061 O\n",
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{
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"structure_string": "Mg30 Fe1 Cu1 O32\n1.0\n8.534529 0.000000 0.000000\n0.000000 8.534529 0.000000\n0.000000 0.000000 8.524841\nMg Fe Cu O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254675 0.254675 0.000000 Mg\n0.745325 0.254675 0.000000 Mg\n0.254675 0.745325 0.000000 Mg\n0.745325 0.745325 0.000000 Mg\n0.250951 0.250951 0.500000 Mg\n0.749049 0.250951 0.500000 Mg\n0.250951 0.749049 0.500000 Mg\n0.749049 0.749049 0.500000 Mg\n0.252564 0.000000 0.251318 Mg\n0.747436 0.000000 0.251318 Mg\n0.252765 0.500000 0.248162 Mg\n0.747235 0.500000 0.248162 Mg\n0.252564 0.000000 0.748682 Mg\n0.747436 0.000000 0.748682 Mg\n0.252765 0.500000 0.751838 Mg\n0.747235 0.500000 0.751838 Mg\n0.000000 0.252564 0.251318 Mg\n0.500000 0.252765 0.248162 Mg\n0.000000 0.747436 0.251318 Mg\n0.500000 0.747235 0.248162 Mg\n0.000000 0.252564 0.748682 Mg\n0.500000 0.252765 0.751838 Mg\n0.000000 0.747436 0.748682 Mg\n0.500000 0.747235 0.751838 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.245784 O\n0.500000 0.000000 0.250592 O\n0.000000 0.500000 0.250592 O\n0.500000 0.500000 0.261712 O\n0.000000 0.000000 0.754216 O\n0.500000 0.000000 0.749408 O\n0.000000 0.500000 0.749408 O\n0.500000 0.500000 0.738288 O\n0.249104 0.249104 0.249349 O\n0.750896 0.249104 0.249349 O\n0.249104 0.750896 0.249349 O\n0.750896 0.750896 0.249349 O\n0.249104 0.249104 0.750651 O\n0.750896 0.249104 0.750651 O\n0.249104 0.750896 0.750651 O\n0.750896 0.750896 0.750651 O\n0.243362 0.000000 0.000000 O\n0.756638 0.000000 0.000000 O\n0.236527 0.500000 0.000000 O\n0.763473 0.500000 0.000000 O\n0.248070 0.000000 0.500000 O\n0.751930 0.000000 0.500000 O\n0.247791 0.500000 0.500000 O\n0.752209 0.500000 0.500000 O\n0.000000 0.243362 0.000000 O\n0.500000 0.236527 0.000000 O\n0.000000 0.756638 0.000000 O\n0.500000 0.763473 0.000000 O\n0.000000 0.248070 0.500000 O\n0.500000 0.247791 0.500000 O\n0.000000 0.751930 0.500000 O\n0.500000 0.752209 0.500000 O\n",
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{
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"elements": [
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{
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{
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"structure_string": "Nd4 Mn2 Rh2 O12\n1.0\n5.858981 0.000000 0.000000\n0.000000 5.559765 0.000000\n0.000000 5.359412 7.638198\nNd Mn Rh O\n4 2 2 12\ndirect\n0.568001 0.730045 0.750403 Nd\n0.068001 0.269955 0.749597 Nd\n0.431999 0.269955 0.249597 Nd\n0.931999 0.730045 0.250403 Nd\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.966704 0.859175 0.743854 O\n0.466704 0.140825 0.756146 O\n0.033296 0.140825 0.256146 O\n0.533296 0.859175 0.243854 O\n0.800374 0.247599 0.947608 O\n0.300374 0.752401 0.552392 O\n0.199798 0.356786 0.450314 O\n0.699798 0.643214 0.049686 O\n0.199626 0.752401 0.052392 O\n0.699626 0.247599 0.447608 O\n0.800202 0.643214 0.549686 O\n0.300202 0.356786 0.950314 O\n",
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"formula_full": "Nd4 Mn2 Rh2 O12",
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{
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"structure_string": "Ca1 B2 C6\n1.0\n0.000000 4.462050 4.524186\n2.583611 0.000000 4.524186\n2.583611 4.462050 0.000000\nCa B C\n1 2 6\ndirect\n0.000861 0.000861 0.999139 Ca\n0.090548 0.576845 0.423155 B\n0.576845 0.090548 0.909452 B\n0.082036 0.082036 0.417964 C\n0.582036 0.582036 0.917964 C\n0.921183 0.921183 0.578817 C\n0.421183 0.421183 0.078817 C\n0.913943 0.411418 0.588582 C\n0.411418 0.913943 0.086057 C\n",
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