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{
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"structure_string": "Ca8 Y4 Bi4 O24\n1.0\n8.387248 0.000000 -0.000000\n-0.000000 8.387248 0.000000\n0.000000 0.000000 8.387248\nCa Y Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 -0.000000 0.000000 Ca\n0.000000 -0.000000 0.500000 Ca\n0.000000 0.500000 -0.000000 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Y\n0.250000 0.750000 0.750000 Y\n0.750000 0.250000 0.750000 Y\n0.750000 0.750000 0.250000 Y\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.204397 0.310637 0.507491 O\n0.204397 0.689363 0.492509 O\n0.795603 0.310637 0.492509 O\n0.795603 0.689363 0.507491 O\n0.310637 0.507491 0.204397 O\n0.689363 0.492509 0.204397 O\n0.310637 0.492509 0.795603 O\n0.689363 0.507491 0.795603 O\n0.507491 0.204397 0.310637 O\n0.492509 0.204397 0.689363 O\n0.492509 0.795603 0.310637 O\n0.507491 0.795603 0.689363 O\n0.295603 0.189363 0.992509 O\n0.295603 0.810637 0.007491 O\n0.704397 0.189363 0.007491 O\n0.704397 0.810637 0.992509 O\n0.189363 0.992509 0.295603 O\n0.810637 0.007491 0.295603 O\n0.189363 0.007491 0.704397 O\n0.810637 0.992509 0.704397 O\n0.992509 0.295603 0.189363 O\n0.007491 0.295603 0.810637 O\n0.007491 0.704397 0.189363 O\n0.992509 0.704397 0.810637 O\n",
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{
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"structure_string": "Li8 Co8 Si8 O28\n1.0\n13.106493 0.000000 0.000000\n0.000000 5.466645 0.000000\n0.000000 5.400377 8.368635\nLi Co Si O\n8 8 8 28\ndirect\n0.366213 0.732350 0.112291 Li\n0.745396 0.035624 0.168834 Li\n0.245396 0.964376 0.331166 Li\n0.866213 0.267650 0.387709 Li\n0.133787 0.732350 0.612291 Li\n0.754604 0.035624 0.668834 Li\n0.254604 0.964376 0.831166 Li\n0.633787 0.267650 0.887709 Li\n0.084760 0.544778 0.114681 Co\n0.492071 0.155950 0.205307 Co\n0.992071 0.844050 0.294693 Co\n0.584760 0.455222 0.385319 Co\n0.415240 0.544778 0.614681 Co\n0.007929 0.155950 0.705307 Co\n0.507929 0.844050 0.794693 Co\n0.915240 0.455222 0.885319 Co\n0.885172 0.778119 0.037809 Si\n0.669699 0.636092 0.044456 Si\n0.169699 0.363908 0.455544 Si\n0.385172 0.221881 0.462191 Si\n0.614828 0.778119 0.537809 Si\n0.830301 0.636092 0.544456 Si\n0.330301 0.363908 0.955544 Si\n0.114828 0.221881 0.962191 Si\n0.793926 0.565659 0.038040 O\n0.163895 0.914892 0.007564 O\n0.031178 0.209724 0.090110 O\n0.616547 0.337267 0.072975 O\n0.363934 0.076351 0.129498 O\n0.658765 0.703466 0.183845 O\n0.943946 0.598298 0.212063 O\n0.443946 0.401702 0.287937 O\n0.158765 0.296534 0.316155 O\n0.863934 0.923649 0.370502 O\n0.116547 0.662733 0.427025 O\n0.531178 0.790276 0.409890 O\n0.663895 0.085108 0.492436 O\n0.293926 0.434341 0.461960 O\n0.706074 0.565659 0.538040 O\n0.336105 0.914892 0.507564 O\n0.468822 0.209724 0.590110 O\n0.883453 0.337267 0.572975 O\n0.136066 0.076351 0.629498 O\n0.841235 0.703466 0.683845 O\n0.556054 0.598298 0.712063 O\n0.056054 0.401702 0.787937 O\n0.341235 0.296534 0.816155 O\n0.636066 0.923649 0.870502 O\n0.383453 0.662733 0.927025 O\n0.968822 0.790276 0.909890 O\n0.836105 0.085108 0.992436 O\n0.206074 0.434341 0.961960 O\n",
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{
"id": "mp-1233088",
"created_at": "2022-09-04T14:46:18.235875Z",
"structure_string": "Sr4 Ca1 Sm2 Ta2 O12\n1.0\n5.056764 -0.279821 -3.828694\n-0.109624 6.325008 0.364877\n4.451777 0.324403 6.943326\nSr Ca Sm Ta O\n4 1 2 2 12\ndirect\n0.146076 0.395191 0.176283 Sr\n0.030738 0.568246 0.747908 Sr\n0.388225 0.922133 0.262376 Sr\n0.458252 0.966641 0.756170 Sr\n0.857622 0.669338 0.333651 Ca\n0.925935 0.106175 0.495607 Sm\n0.583576 0.449565 0.001698 Sm\n0.000718 0.987229 0.979066 Ta\n0.463704 0.502347 0.513366 Ta\n0.996790 0.006700 0.229093 O\n0.055244 0.973001 0.743914 O\n0.510142 0.542679 0.267265 O\n0.429843 0.551288 0.743675 O\n0.176905 0.737905 0.021017 O\n0.863879 0.268539 0.941718 O\n0.304000 0.227141 0.489654 O\n0.655598 0.829654 0.503001 O\n0.312467 0.171286 0.005200 O\n0.736920 0.802685 0.966447 O\n0.195781 0.655146 0.458499 O\n0.751335 0.385859 0.551890 O\n",
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"formula_full": "Sr4 Ca1 Sm2 Ta2 O12",
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{
"id": "mp-680331",
"created_at": "2022-09-04T14:46:10.564754Z",
"structure_string": "Cd4 Hg12 C24 S24 N24 Cl8\n1.0\n20.710475 -5.691017 0.000000\n20.710475 5.691017 0.000000\n19.146644 0.000000 9.732290\nCd Hg C S N Cl\n4 12 24 24 24 8\ndirect\n0.224260 0.224260 0.224260 Cd\n0.041495 0.041495 0.041495 Cd\n0.724260 0.724260 0.724260 Cd\n0.541495 0.541495 0.541495 Cd\n0.778739 0.851742 0.236028 Hg\n0.236028 0.778739 0.851742 Hg\n0.387495 0.049710 0.502141 Hg\n0.887495 0.002141 0.549710 Hg\n0.549710 0.887495 0.002141 Hg\n0.851742 0.236028 0.778739 Hg\n0.049710 0.502141 0.387495 Hg\n0.736028 0.351742 0.278739 Hg\n0.351742 0.278739 0.736028 Hg\n0.002141 0.549710 0.887495 Hg\n0.278739 0.736028 0.351742 Hg\n0.502141 0.387495 0.049710 Hg\n0.423644 0.373644 0.984989 C\n0.507386 0.000610 0.578630 C\n0.795375 0.388894 0.337064 C\n0.373644 0.984989 0.423644 C\n0.772625 0.251019 0.192504 C\n0.272625 0.692504 0.751019 C\n0.923644 0.484989 0.873644 C\n0.251019 0.192504 0.772625 C\n0.337064 0.795375 0.388894 C\n0.078630 0.500610 0.007386 C\n0.837064 0.888894 0.295375 C\n0.888894 0.295375 0.837064 C\n0.751019 0.272625 0.692504 C\n0.500610 0.007386 0.078630 C\n0.388894 0.337064 0.795375 C\n0.007386 0.078630 0.500610 C\n0.578630 0.507386 0.000610 C\n0.000610 0.578630 0.507386 C\n0.692504 0.751019 0.272625 C\n0.295375 0.837064 0.888894 C\n0.484989 0.873644 0.923644 C\n0.873644 0.923644 0.484989 C\n0.192504 0.772625 0.251019 C\n0.984989 0.423644 0.373644 C\n0.860859 0.133176 0.755260 S\n0.380534 0.955436 0.001575 S\n0.255260 0.633176 0.360859 S\n0.880534 0.501575 0.455436 S\n0.898415 0.013544 0.645393 S\n0.455436 0.880534 0.501575 S\n0.133176 0.755260 0.860859 S\n0.145393 0.513544 0.398415 S\n0.908209 0.312242 0.249559 S\n0.955436 0.001575 0.380534 S\n0.749559 0.812242 0.408209 S\n0.513544 0.398415 0.145393 S\n0.312242 0.249559 0.908209 S\n0.013544 0.645393 0.898415 S\n0.633176 0.360859 0.255260 S\n0.755260 0.860859 0.133176 S\n0.812242 0.408209 0.749559 S\n0.408209 0.749559 0.812242 S\n0.360859 0.255260 0.633176 S\n0.645393 0.898415 0.013544 S\n0.001575 0.380534 0.955436 S\n0.501575 0.455436 0.880534 S\n0.398415 0.145393 0.513544 S\n0.249559 0.908209 0.312242 S\n0.555404 0.817393 0.868735 N\n0.717746 0.440992 0.400052 N\n0.082168 0.127418 0.399872 N\n0.369463 0.646348 0.674675 N\n0.399872 0.082168 0.127418 N\n0.174675 0.146348 0.869463 N\n0.400052 0.717746 0.440992 N\n0.317393 0.055404 0.368735 N\n0.055404 0.368735 0.317393 N\n0.217746 0.900052 0.940992 N\n0.869463 0.174675 0.146348 N\n0.900052 0.940992 0.217746 N\n0.940992 0.217746 0.900052 N\n0.127418 0.399872 0.082168 N\n0.817393 0.868735 0.555404 N\n0.368735 0.317393 0.055404 N\n0.627418 0.582168 0.899872 N\n0.646348 0.674675 0.369463 N\n0.674675 0.369463 0.646348 N\n0.899872 0.627418 0.582168 N\n0.440992 0.400052 0.717746 N\n0.582168 0.899872 0.627418 N\n0.146348 0.869463 0.174675 N\n0.868735 0.555404 0.817393 N\n0.800058 0.800058 0.800058 Cl\n0.120711 0.067844 0.721080 Cl\n0.221080 0.567844 0.620711 Cl\n0.067844 0.721080 0.120711 Cl\n0.620711 0.221080 0.567844 Cl\n0.300058 0.300058 0.300058 Cl\n0.567844 0.620711 0.221080 Cl\n0.721080 0.120711 0.067844 Cl\n",
"nsites": 96,
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{
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"created_at": "2022-09-04T14:46:12.065140Z",
"structure_string": "Rb1 La1 Mg14 O16\n1.0\n8.781679 0.000000 0.000000\n0.000000 9.053954 0.000000\n0.000000 0.000000 4.553446\nRb La Mg O\n1 1 14 16\ndirect\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.267264 0.500000 Mg\n0.000000 0.732736 0.500000 Mg\n0.500000 0.253794 0.500000 Mg\n0.500000 0.746206 0.500000 Mg\n0.266658 0.000000 0.500000 Mg\n0.257216 0.500000 0.500000 Mg\n0.733342 0.000000 0.500000 Mg\n0.742784 0.500000 0.500000 Mg\n0.262669 0.259870 -0.000000 Mg\n0.262669 0.740130 -0.000000 Mg\n0.737331 0.259870 0.000000 Mg\n0.737331 0.740130 0.000000 Mg\n0.272665 0.000000 0.000000 O\n0.282231 0.500000 -0.000000 O\n0.727335 0.000000 -0.000000 O\n0.717769 0.500000 0.000000 O\n0.251144 0.249643 0.500000 O\n0.251144 0.750357 0.500000 O\n0.748856 0.249643 0.500000 O\n0.748856 0.750357 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.241236 0.000000 O\n0.000000 0.758764 0.000000 O\n0.500000 0.246649 0.000000 O\n0.500000 0.753351 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:46:11.647578Z",
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{
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{
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}