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{
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{
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"structure_string": "Y12 Fe20 O48\n1.0\n-6.279979 6.279979 6.279979\n6.279979 -6.279979 6.279979\n6.279979 6.279979 -6.279979\nY Fe O\n12 20 48\ndirect\n0.375000 0.125000 0.250000 Y\n0.250000 0.875000 0.625000 Y\n0.625000 0.875000 0.750000 Y\n0.125000 0.375000 0.750000 Y\n0.750000 0.625000 0.875000 Y\n0.875000 0.625000 0.250000 Y\n0.875000 0.750000 0.625000 Y\n0.375000 0.750000 0.125000 Y\n0.750000 0.125000 0.375000 Y\n0.125000 0.250000 0.375000 Y\n0.625000 0.250000 0.875000 Y\n0.250000 0.375000 0.125000 Y\n0.250000 0.125000 0.875000 Fe\n0.625000 0.375000 0.250000 Fe\n0.500000 0.500000 0.000000 Fe\n0.125000 0.875000 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.375000 0.250000 0.625000 Fe\n0.000000 0.500000 0.500000 Fe\n0.625000 0.750000 0.375000 Fe\n0.750000 0.375000 0.625000 Fe\n0.125000 0.750000 0.875000 Fe\n0.500000 0.000000 0.000000 Fe\n0.875000 0.250000 0.125000 Fe\n0.000000 0.000000 0.000000 Fe\n0.875000 0.125000 0.750000 Fe\n0.250000 0.625000 0.375000 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.875000 0.125000 Fe\n0.375000 0.625000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.416949 0.094127 0.625104 O\n0.594127 0.177179 0.469024 O\n0.030976 0.322821 0.905873 O\n0.177179 0.469024 0.594127 O\n0.625104 0.708155 0.530976 O\n0.874896 0.405873 0.083051 O\n0.791845 0.874896 0.969024 O\n0.125104 0.594127 0.916949 O\n0.905873 0.374896 0.583051 O\n0.094127 0.969024 0.677179 O\n0.030976 0.208155 0.125104 O\n0.677179 0.094127 0.969024 O\n0.374896 0.583051 0.905873 O\n0.083051 0.708155 0.677179 O\n0.625104 0.416949 0.094127 O\n0.530976 0.405873 0.822821 O\n0.791845 0.416949 0.822821 O\n0.677179 0.083051 0.708155 O\n0.708155 0.530976 0.625104 O\n0.916949 0.291845 0.322821 O\n0.969024 0.677179 0.094127 O\n0.594127 0.916949 0.125104 O\n0.405873 0.083051 0.874896 O\n0.822821 0.530976 0.405873 O\n0.969024 0.791845 0.874896 O\n0.469024 0.374896 0.291845 O\n0.322821 0.916949 0.291845 O\n0.874896 0.969024 0.791845 O\n0.208155 0.583051 0.177179 O\n0.322821 0.905873 0.030976 O\n0.177179 0.208155 0.583051 O\n0.905873 0.030976 0.322821 O\n0.405873 0.822821 0.530976 O\n0.291845 0.469024 0.374896 O\n0.208155 0.125104 0.030976 O\n0.125104 0.030976 0.208155 O\n0.094127 0.625104 0.416949 O\n0.416949 0.822821 0.791845 O\n0.583051 0.177179 0.208155 O\n0.469024 0.594127 0.177179 O\n0.374896 0.291845 0.469024 O\n0.083051 0.874896 0.405873 O\n0.583051 0.905873 0.374896 O\n0.291845 0.322821 0.916949 O\n0.822821 0.791845 0.416949 O\n0.708155 0.677179 0.083051 O\n0.530976 0.625104 0.708155 O\n0.916949 0.125104 0.594127 O\n",
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{
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"created_at": "2022-09-04T14:43:59.483435Z",
"structure_string": "Hg9 Se3 O18\n1.0\n7.427603 0.000000 0.000000\n-3.683724 -6.595504 0.000000\n-0.112054 0.020113 -10.118362\nHg Se O\n9 3 18\ndirect\n0.650675 0.005509 0.658178 Hg\n0.808724 0.328615 0.959782 Hg\n0.951609 0.625555 0.297696 Hg\n0.640347 0.483950 0.647468 Hg\n0.473635 0.138202 0.299517 Hg\n0.445866 0.625780 0.343890 Hg\n0.299014 0.297320 0.007321 Hg\n0.245766 0.574034 0.738828 Hg\n0.343669 0.824468 0.026767 Hg\n0.953342 0.106870 0.330301 Se\n0.784092 0.805720 0.993567 Se\n0.147132 0.100736 0.602702 Se\n0.861439 0.256654 0.269381 O\n0.768001 0.301814 0.722220 O\n0.646874 0.575172 0.921522 O\n0.634831 0.477146 0.353047 O\n0.491602 0.157147 0.047780 O\n0.374900 0.130758 0.545798 O\n0.693726 0.807622 0.145089 O\n0.539492 0.703906 0.594419 O\n0.158125 0.153588 0.233983 O\n0.219530 0.258854 0.735816 O\n0.101912 0.263784 0.476607 O\n0.164536 0.496274 0.963987 O\n0.283037 0.783985 0.268440 O\n0.743918 0.971589 0.902512 O\n0.101352 0.598734 0.527924 O\n0.088815 0.773126 0.711306 O\n0.031248 0.721455 0.576603 O\n0.030792 0.866631 0.999849 O\n",
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"spacegroup": 1
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{
"id": "mp-1199146",
"created_at": "2022-09-04T14:43:55.200732Z",
"structure_string": "Sr8 Fe5 Re5 O28\n1.0\n5.581147 0.000000 0.000000\n0.000000 5.581147 0.000000\n0.000000 0.000000 25.601904\nSr Fe Re O\n8 5 5 28\ndirect\n0.000000 0.500000 0.261263 Sr\n0.500000 0.000000 0.261263 Sr\n0.000000 0.500000 0.738737 Sr\n0.500000 0.000000 0.738737 Sr\n0.000000 0.500000 0.421980 Sr\n0.500000 0.000000 0.421980 Sr\n0.000000 0.500000 0.578020 Sr\n0.500000 0.000000 0.578020 Sr\n0.000000 0.000000 0.188538 Fe\n0.000000 0.000000 0.811462 Fe\n0.500000 0.500000 0.345703 Fe\n0.500000 0.500000 0.654297 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.190404 Re\n0.500000 0.500000 0.809596 Re\n0.000000 0.000000 0.343255 Re\n0.000000 0.000000 0.656745 Re\n0.500000 0.500000 0.500000 Re\n0.743396 0.256604 0.186386 O\n0.256604 0.743396 0.186386 O\n0.256604 0.256604 0.186386 O\n0.743396 0.743396 0.186386 O\n0.256604 0.743396 0.813614 O\n0.743396 0.256604 0.813614 O\n0.743396 0.743396 0.813614 O\n0.256604 0.256604 0.813614 O\n0.000000 0.000000 0.266572 O\n0.000000 0.000000 0.733428 O\n0.500000 0.500000 0.264239 O\n0.500000 0.500000 0.735761 O\n0.753353 0.246647 0.343456 O\n0.246647 0.753353 0.343456 O\n0.246647 0.246647 0.343456 O\n0.753353 0.753353 0.343456 O\n0.246647 0.753353 0.656544 O\n0.753353 0.246647 0.656544 O\n0.753353 0.753353 0.656544 O\n0.246647 0.246647 0.656544 O\n0.000000 0.000000 0.419795 O\n0.000000 0.000000 0.580205 O\n0.500000 0.500000 0.423237 O\n0.500000 0.500000 0.576763 O\n0.747117 0.252883 0.500000 O\n0.252883 0.747117 0.500000 O\n0.252883 0.252883 0.500000 O\n0.747117 0.747117 0.500000 O\n",
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{
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"structure_string": "Rb1 Mg6 C1 O8\n1.0\n8.600230 0.000000 0.000000\n0.000000 4.498981 0.000000\n0.000000 0.000000 4.498981\nRb Mg C O\n1 6 1 8\ndirect\n-0.000000 0.000000 -0.000000 Rb\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.264227 0.000000 0.500000 Mg\n0.735773 0.000000 0.500000 Mg\n0.264227 0.500000 0.000000 Mg\n0.735773 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 C\n0.290347 -0.000000 -0.000000 O\n0.709653 0.000000 0.000000 O\n0.251682 0.500000 0.500000 O\n0.748318 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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{
"id": "mp-774626",
"created_at": "2022-09-04T14:43:55.156372Z",
"structure_string": "Li8 Ti6 Mn8 Fe4 O36\n1.0\n2.940158 0.000000 0.000000\n0.000000 9.171937 0.000000\n0.000000 0.000000 25.389560\nLi Ti Mn Fe O\n8 6 8 4 36\ndirect\n0.500000 0.931021 0.992733 Li\n0.500000 0.944655 0.208569 Li\n0.500000 0.055345 0.708569 Li\n0.500000 0.068979 0.492733 Li\n0.500000 0.430686 0.498856 Li\n0.500000 0.447772 0.308688 Li\n0.500000 0.552228 0.808688 Li\n0.500000 0.569314 0.998856 Li\n0.500000 0.750773 0.105264 Ti\n0.500000 0.249227 0.605264 Ti\n0.500000 0.243826 0.393927 Ti\n0.000000 0.402989 0.694465 Ti\n0.000000 0.597011 0.194465 Ti\n0.500000 0.756174 0.893927 Ti\n0.500000 0.764955 0.312563 Mn\n0.000000 0.898130 0.586601 Mn\n0.000000 0.101870 0.086601 Mn\n0.500000 0.235045 0.812563 Mn\n0.500000 0.258131 0.186065 Mn\n0.000000 0.394529 0.913824 Mn\n0.000000 0.605471 0.413824 Mn\n0.500000 0.741869 0.686065 Mn\n0.500000 0.750795 0.500280 Fe\n0.000000 0.897203 0.803650 Fe\n0.000000 0.102797 0.303650 Fe\n0.500000 0.249205 0.000280 Fe\n0.500000 0.743193 0.420502 O\n0.500000 0.760583 0.580781 O\n0.000000 0.790023 0.942613 O\n0.000000 0.795494 0.161363 O\n0.000000 0.869613 0.661058 O\n0.500000 0.870738 0.753517 O\n0.000000 0.904388 0.508563 O\n0.000000 0.882712 0.285937 O\n0.500000 0.933579 0.859989 O\n0.500000 0.964287 0.087313 O\n0.500000 0.035713 0.587313 O\n0.500000 0.066421 0.359989 O\n0.000000 0.117288 0.785937 O\n0.000000 0.095612 0.008563 O\n0.500000 0.129262 0.253517 O\n0.000000 0.130387 0.161058 O\n0.000000 0.204506 0.661363 O\n0.000000 0.209977 0.442613 O\n0.500000 0.239417 0.080781 O\n0.500000 0.256807 0.920502 O\n0.000000 0.288418 0.559176 O\n0.000000 0.304854 0.339996 O\n0.000000 0.364527 0.838526 O\n0.500000 0.374350 0.742355 O\n0.000000 0.402661 0.991621 O\n0.000000 0.386121 0.206337 O\n0.500000 0.432587 0.641443 O\n0.500000 0.468538 0.413640 O\n0.500000 0.531462 0.913640 O\n0.500000 0.567413 0.141443 O\n0.000000 0.613879 0.706337 O\n0.000000 0.597339 0.491621 O\n0.500000 0.625650 0.242355 O\n0.000000 0.635473 0.338526 O\n0.000000 0.695146 0.839996 O\n0.000000 0.711582 0.059176 O\n",
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{
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"structure_string": "Zn2 P4 N2 O18\n1.0\n7.187002 0.000000 0.000000\n-0.811836 7.396822 0.000000\n-3.245066 -0.563456 7.253438\nZn P N O\n2 4 2 18\ndirect\n0.771904 0.753210 0.521659 Zn\n0.228096 0.246790 0.478341 Zn\n0.951096 0.881485 0.239649 P\n0.048904 0.118515 0.760351 P\n0.338731 0.588098 0.270611 P\n0.661269 0.411902 0.729389 P\n0.490961 0.760432 0.877099 N\n0.509039 0.239568 0.122901 N\n0.985307 0.751618 0.069731 O\n0.014693 0.248382 0.930269 O\n0.750461 0.938058 0.107047 O\n0.249539 0.061942 0.892953 O\n0.943429 0.754829 0.384300 O\n0.056571 0.245171 0.615700 O\n0.135756 0.027439 0.308821 O\n0.864244 0.972561 0.691179 O\n0.442763 0.498646 0.165271 O\n0.557237 0.501354 0.834729 O\n0.214356 0.471479 0.350982 O\n0.785644 0.528521 0.649018 O\n0.155651 0.672666 0.078693 O\n0.844349 0.327334 0.921307 O\n0.470072 0.755815 0.393014 O\n0.529928 0.244185 0.606986 O\n0.460148 0.838390 0.752045 O\n0.539852 0.161610 0.247955 O\n",
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}