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{
"id": "mp-1186298",
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{
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"structure_string": "K9 Na3 B36 O60\n1.0\n6.708298 0.000000 0.000000\n0.012015 9.283163 0.000000\n0.081408 1.427513 20.955532\nK Na B O\n9 3 36 60\ndirect\n0.305028 0.777465 0.534636 K\n0.804937 0.222631 0.965431 K\n0.695181 0.222546 0.465540 K\n0.194941 0.777446 0.034443 K\n0.315107 0.590238 0.381554 K\n0.815095 0.409603 0.118281 K\n0.684911 0.409452 0.618492 K\n0.184884 0.590448 0.881561 K\n0.981056 0.930406 0.257358 K\n0.491453 0.067779 0.245771 Na\n0.007525 0.066828 0.745863 Na\n0.507588 0.933069 0.754149 Na\n0.701147 0.992052 0.622645 B\n0.201265 0.007992 0.877413 B\n0.300928 0.010399 0.377976 B\n0.796213 0.992682 0.120848 B\n0.995226 0.850181 0.414275 B\n0.494093 0.151314 0.086007 B\n0.005157 0.150542 0.586363 B\n0.505061 0.849370 0.913679 B\n0.967783 0.581723 0.278410 B\n0.468429 0.412641 0.221515 B\n0.033599 0.414387 0.721898 B\n0.533349 0.585714 0.778169 B\n0.758332 0.753021 0.576136 B\n0.258107 0.247019 0.923950 B\n0.242001 0.247749 0.424742 B\n0.741154 0.752342 0.075692 B\n0.782411 0.349485 0.284365 B\n0.286040 0.647015 0.215883 B\n0.216753 0.649719 0.715826 B\n0.716714 0.350127 0.784215 B\n0.642059 0.889869 0.392841 B\n0.141345 0.110753 0.106746 B\n0.357903 0.110209 0.607958 B\n0.857983 0.889825 0.892068 B\n0.750275 0.674893 0.465313 B\n0.250517 0.325463 0.034588 B\n0.250091 0.325009 0.535017 B\n0.749692 0.675170 0.965039 B\n0.927690 0.803974 0.674443 B\n0.427806 0.195917 0.825461 B\n0.075154 0.199666 0.326461 B\n0.568998 0.804166 0.173480 B\n0.783501 0.510653 0.374993 B\n0.285061 0.488742 0.124920 B\n0.215957 0.489340 0.625094 B\n0.715567 0.510896 0.874839 B\n0.596080 0.773609 0.433383 O\n0.096548 0.227176 0.066331 O\n0.403767 0.225766 0.566876 O\n0.903596 0.774284 0.933071 O\n0.732544 0.534328 0.436704 O\n0.233141 0.466052 0.063371 O\n0.267557 0.465791 0.563448 O\n0.767402 0.534527 0.936327 O\n0.191185 0.879847 0.401744 O\n0.691103 0.123130 0.096601 O\n0.808414 0.121636 0.597652 O\n0.308396 0.878233 0.902315 O\n0.915277 0.219766 0.287638 O\n0.411354 0.780279 0.213201 O\n0.087072 0.781108 0.713183 O\n0.587779 0.218754 0.786642 O\n0.685189 0.890618 0.570962 O\n0.184715 0.109433 0.929125 O\n0.315402 0.110009 0.430210 O\n0.813175 0.890054 0.069862 O\n0.719861 0.387843 0.348798 O\n0.222833 0.611597 0.151293 O\n0.279151 0.612086 0.651285 O\n0.778391 0.387761 0.848635 O\n0.952766 0.738092 0.457769 O\n0.451956 0.261998 0.041873 O\n0.048080 0.261541 0.542285 O\n0.547642 0.738693 0.957864 O\n0.882293 0.708884 0.627200 O\n0.382069 0.291054 0.872638 O\n0.116549 0.293611 0.374285 O\n0.618052 0.707589 0.127141 O\n0.805167 0.923516 0.680601 O\n0.305621 0.076511 0.819347 O\n0.204414 0.084308 0.320639 O\n0.685998 0.925928 0.178016 O\n0.896442 0.613201 0.338971 O\n0.397580 0.385010 0.160677 O\n0.103070 0.386152 0.660822 O\n0.602588 0.614066 0.839114 O\n0.842597 0.932384 0.384026 O\n0.342158 0.069752 0.117328 O\n0.156843 0.069052 0.617639 O\n0.657051 0.930891 0.882331 O\n0.895090 0.467624 0.248667 O\n0.402993 0.529605 0.250653 O\n0.102430 0.530681 0.751091 O\n0.602634 0.469203 0.748978 O\n0.606827 0.313990 0.245816 O\n0.111915 0.674857 0.255397 O\n0.393480 0.683442 0.754223 O\n0.894012 0.316384 0.745783 O\n0.504515 0.971276 0.358158 O\n0.001037 0.028307 0.139454 O\n0.496451 0.028706 0.642301 O\n0.997066 0.971549 0.857791 O\n0.709426 0.651762 0.534064 O\n0.209813 0.348687 0.965912 O\n0.291803 0.349052 0.466480 O\n0.790572 0.651024 0.033667 O\n",
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"formula_full": "K9 Na3 B36 O60",
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{
"id": "mp-1246545",
"created_at": "2022-09-04T14:39:10.206870Z",
"structure_string": "Sr2 Ru14 N20\n1.0\n7.398375 0.000000 0.081820\n0.000000 6.943591 0.000000\n-2.728896 0.000000 10.110972\nSr Ru N\n2 14 20\ndirect\n0.853393 0.066297 0.648316 Sr\n0.853393 0.933703 0.148316 Sr\n0.542176 0.926183 0.856761 Ru\n0.542176 0.073817 0.356761 Ru\n0.352873 0.029494 0.041384 Ru\n0.352873 0.970506 0.541384 Ru\n0.146588 0.366613 0.074532 Ru\n0.146588 0.633387 0.574532 Ru\n0.654247 0.400287 0.995299 Ru\n0.654247 0.599713 0.495299 Ru\n0.857471 0.599796 0.782688 Ru\n0.857471 0.400204 0.282688 Ru\n0.288427 0.627670 0.886841 Ru\n0.288427 0.372330 0.386841 Ru\n0.487023 0.361527 0.664450 Ru\n0.487023 0.638473 0.164449 Ru\n0.766624 0.833662 0.820527 N\n0.766624 0.166338 0.320527 N\n0.581457 0.134041 0.991198 N\n0.581457 0.865959 0.491198 N\n0.271587 0.900835 0.872383 N\n0.271587 0.099165 0.372383 N\n0.124177 0.098357 0.076432 N\n0.124177 0.901643 0.576432 N\n0.313625 0.517922 0.724325 N\n0.313625 0.482078 0.224325 N\n0.480160 0.094143 0.702642 N\n0.480160 0.905857 0.202642 N\n0.897744 0.421656 0.107424 N\n0.897744 0.578344 0.607424 N\n0.069822 0.498973 0.910929 N\n0.069822 0.501027 0.410929 N\n0.692138 0.412333 0.819087 N\n0.692138 0.587667 0.319087 N\n0.562768 0.669879 0.994081 N\n0.562768 0.330121 0.494081 N\n",
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"formula_full": "Sr2 Ru14 N20",
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},
{
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"structure_string": "Nb4 F20\n1.0\n7.256500 4.884382 0.000000\n-7.256500 4.884382 0.000000\n0.000000 0.155245 4.887966\nNb F\n4 20\ndirect\n0.743642 0.743642 0.127580 Nb\n0.256358 0.256358 0.872420 Nb\n0.803781 0.196219 0.500000 Nb\n0.196219 0.803781 0.500000 Nb\n0.893094 0.893094 0.877615 F\n0.106906 0.106906 0.122385 F\n0.650966 0.650966 0.792235 F\n0.349034 0.349034 0.207765 F\n0.529472 0.723598 0.230212 F\n0.276402 0.470528 0.769788 F\n0.470528 0.276402 0.769788 F\n0.723598 0.529472 0.230212 F\n0.783600 0.963617 0.350094 F\n0.036383 0.216400 0.649906 F\n0.216400 0.036383 0.649906 F\n0.963617 0.783600 0.350094 F\n0.704048 0.069256 0.820959 F\n0.930744 0.295951 0.179041 F\n0.295951 0.930744 0.179041 F\n0.069256 0.704049 0.820959 F\n0.604455 0.168191 0.337455 F\n0.831809 0.395545 0.662545 F\n0.395545 0.831809 0.662545 F\n0.168191 0.604455 0.337455 F\n",
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{
"id": "mp-1194701",
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"structure_string": "Cs8 Zn4 Sn12 Se32\n1.0\n8.030131 0.000000 0.000000\n0.000000 13.656237 0.000000\n0.000000 0.000000 18.797053\nCs Zn Sn Se\n8 4 12 32\ndirect\n0.748915 0.631193 0.052799 Cs\n0.751085 0.368807 0.552799 Cs\n0.248915 0.868807 0.947201 Cs\n0.251085 0.131193 0.447201 Cs\n0.228968 0.811497 0.341754 Cs\n0.271032 0.188503 0.841754 Cs\n0.728968 0.688503 0.658246 Cs\n0.771032 0.311497 0.158246 Cs\n0.990504 0.500684 0.347297 Zn\n0.509496 0.499316 0.847297 Zn\n0.490504 0.999316 0.652703 Zn\n0.009496 0.000684 0.152703 Zn\n0.761300 0.047162 0.319134 Sn\n0.738700 0.952838 0.819134 Sn\n0.261300 0.452838 0.680866 Sn\n0.238700 0.547162 0.180866 Sn\n0.728515 0.936253 0.485053 Sn\n0.771485 0.063747 0.985053 Sn\n0.228515 0.563747 0.514947 Sn\n0.271485 0.436253 0.014947 Sn\n0.505975 0.987607 0.150861 Sn\n0.994025 0.012393 0.650861 Sn\n0.005975 0.512393 0.849139 Sn\n0.494025 0.487607 0.349139 Sn\n0.505718 0.613053 0.454903 Se\n0.994282 0.386947 0.954903 Se\n0.005718 0.886947 0.545097 Se\n0.494282 0.113053 0.045097 Se\n0.968671 0.615380 0.450882 Se\n0.531329 0.384620 0.950882 Se\n0.468671 0.884620 0.549118 Se\n0.031329 0.115380 0.049118 Se\n0.769366 0.884549 0.155148 Se\n0.730634 0.115451 0.655148 Se\n0.269366 0.615451 0.844852 Se\n0.230634 0.384549 0.344852 Se\n0.748774 0.618896 0.851931 Se\n0.751226 0.381104 0.351931 Se\n0.248774 0.881104 0.148069 Se\n0.251226 0.118896 0.648069 Se\n0.507127 0.608733 0.241140 Se\n0.992873 0.391267 0.741140 Se\n0.007127 0.891267 0.758860 Se\n0.492873 0.108733 0.258860 Se\n0.971966 0.603747 0.236819 Se\n0.528034 0.396253 0.736819 Se\n0.471966 0.896253 0.763181 Se\n0.028034 0.103747 0.263181 Se\n0.741193 0.119565 0.447865 Se\n0.758807 0.880435 0.947865 Se\n0.241193 0.380435 0.552135 Se\n0.258807 0.619565 0.052135 Se\n0.741317 0.864931 0.357009 Se\n0.758683 0.135069 0.857009 Se\n0.241317 0.635069 0.642991 Se\n0.258683 0.364931 0.142991 Se\n",
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"formula_full": "Cs8 Zn4 Sn12 Se32",
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{
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"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.120316 5.302003 6.456388\n3.199218 5.342992 -6.451850\n-6.058427 -0.050308 -6.336214\nMg Ag Pb O\n1 14 6 18\ndirect\n0.475171 0.961311 0.567180 Mg\n0.842960 0.160584 0.680057 Ag\n0.170168 0.322520 0.841748 Ag\n0.700891 0.828356 0.872592 Ag\n0.328774 0.161029 0.167195 Ag\n0.104132 0.920674 0.940566 Ag\n0.255842 0.718035 0.786609 Ag\n0.419466 0.585895 0.591357 Ag\n0.593985 0.407198 0.416816 Ag\n0.750543 0.233021 0.262546 Ag\n0.909086 0.060900 0.090153 Ag\n0.003122 0.488133 0.516397 Ag\n0.832082 0.642992 0.194219 Ag\n0.157780 0.820056 0.345462 Ag\n0.497902 0.491412 0.007334 Ag\n0.503181 0.162525 0.835208 Pb\n0.834138 0.490406 0.846623 Pb\n0.172722 0.160219 0.504109 Pb\n0.842368 0.827583 0.524037 Pb\n0.166553 0.486898 0.180955 Pb\n0.503797 0.827124 0.195797 Pb\n0.774080 0.219632 0.864193 O\n0.562621 0.431662 0.817959 O\n0.902769 0.098686 0.492113 O\n0.233732 0.140538 0.776054 O\n0.877821 0.761644 0.797855 O\n0.481562 0.910215 0.806525 O\n0.103313 0.502429 0.906382 O\n0.441112 0.176342 0.547093 O\n0.816060 0.555363 0.572995 O\n0.518007 0.109795 0.103857 O\n0.191056 0.425915 0.456060 O\n0.895842 0.463991 0.122462 O\n0.564256 0.833896 0.477119 O\n0.140409 0.217158 0.231904 O\n0.788391 0.837544 0.257222 O\n0.430994 0.541413 0.198503 O\n0.121643 0.892710 0.538419 O\n0.215380 0.750489 0.163740 O\n",
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{
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"structure_string": "Ag4 S2\n1.0\n5.898564 0.000000 0.000000\n0.000000 4.345211 0.000000\n0.000000 1.525316 5.711098\nAg S\n4 2\ndirect\n0.454175 0.905926 0.008632 Ag\n0.954175 0.094074 0.991368 Ag\n0.524640 0.983198 0.491245 Ag\n0.024640 0.016802 0.508755 Ag\n0.771185 0.705837 0.804535 S\n0.271185 0.294163 0.195465 S\n",
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{
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{
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{
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{
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"structure_string": "Cs8 Ce4 O12\n1.0\n3.454075 -6.649336 0.000000\n3.454075 6.649336 0.000000\n0.000000 0.000000 14.660943\nCs Ce O\n8 4 12\ndirect\n0.379500 0.620500 0.919285 Cs\n0.694110 0.305890 0.866981 Cs\n0.620500 0.379500 0.419285 Cs\n0.305890 0.694110 0.366981 Cs\n0.197962 0.802038 0.637488 Cs\n0.875757 0.124243 0.581455 Cs\n0.802038 0.197962 0.137488 Cs\n0.124243 0.875757 0.081455 Cs\n0.510449 0.489551 0.659376 Ce\n0.489551 0.510449 0.159376 Ce\n0.987697 0.012303 0.339351 Ce\n0.012303 0.987697 0.839351 Ce\n0.725540 0.773218 0.748538 O\n0.407277 0.592723 0.555642 O\n0.660721 0.339279 0.632606 O\n0.592723 0.407277 0.055642 O\n0.339279 0.660721 0.132606 O\n0.274460 0.226782 0.248538 O\n0.226782 0.274460 0.748538 O\n0.908682 0.091318 0.943075 O\n0.159882 0.840118 0.867867 O\n0.840118 0.159882 0.367867 O\n0.091318 0.908682 0.443075 O\n0.773218 0.725540 0.248538 O\n",
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{
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"structure_string": "Li4 Tl2 P2 C2 O14\n1.0\n6.711805 0.000000 0.000000\n0.000000 5.080108 0.000000\n0.000000 0.436130 8.991557\nLi Tl P C O\n4 2 2 2 14\ndirect\n0.995714 0.793795 0.797102 Li\n0.504286 0.793795 0.797102 Li\n0.495714 0.206205 0.202898 Li\n0.004286 0.206205 0.202898 Li\n0.250000 0.246858 0.634215 Tl\n0.750000 0.753142 0.365785 Tl\n0.750000 0.263921 0.590133 P\n0.250000 0.736079 0.409867 P\n0.250000 0.259876 0.940123 C\n0.750000 0.740124 0.059877 C\n0.750000 0.709113 0.920142 O\n0.250000 0.028954 0.882126 O\n0.250000 0.470234 0.845297 O\n0.932153 0.144074 0.673727 O\n0.567847 0.144074 0.673727 O\n0.250000 0.798377 0.577728 O\n0.750000 0.573391 0.594907 O\n0.250000 0.426609 0.405093 O\n0.750000 0.201623 0.422272 O\n0.432153 0.855926 0.326273 O\n0.067847 0.855926 0.326273 O\n0.750000 0.529766 0.154703 O\n0.750000 0.971046 0.117874 O\n0.250000 0.290887 0.079858 O\n",
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}