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{
"id": "mp-541901",
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"structure_string": "K1 H18 Os1 N6 Cl4 O8\n1.0\n9.474401 -3.596159 0.000000\n9.474401 3.596159 0.000000\n8.109421 0.000000 6.077328\nK H Os N Cl O\n1 18 1 6 4 8\ndirect\n0.500000 0.500000 0.500000 K\n0.561177 0.192009 0.179620 H\n0.192009 0.179620 0.561177 H\n0.179620 0.561177 0.192009 H\n0.438823 0.807991 0.820380 H\n0.807991 0.820380 0.438823 H\n0.820380 0.438823 0.807991 H\n0.640568 0.142691 0.000781 H\n0.142691 0.000781 0.640568 H\n0.000781 0.640568 0.142691 H\n0.359432 0.857309 0.999219 H\n0.857309 0.999219 0.359432 H\n0.999219 0.359432 0.857309 H\n0.639450 0.944686 0.243629 H\n0.944686 0.243629 0.639450 H\n0.243629 0.639450 0.944686 H\n0.360550 0.055314 0.756371 H\n0.055314 0.756371 0.360550 H\n0.756371 0.360550 0.055314 H\n0.000000 0.000000 0.000000 Os\n0.675371 0.079159 0.116062 N\n0.079159 0.116062 0.675371 N\n0.116062 0.675371 0.079159 N\n0.324629 0.920841 0.883938 N\n0.920841 0.883938 0.324629 N\n0.883938 0.324629 0.920841 N\n0.185018 0.185018 0.185018 Cl\n0.814982 0.814982 0.814982 Cl\n0.375912 0.375912 0.375912 Cl\n0.624088 0.624088 0.624088 Cl\n0.132480 0.132480 0.132480 O\n0.867520 0.867520 0.867520 O\n0.981754 0.319921 0.307322 O\n0.319921 0.307322 0.981754 O\n0.307322 0.981754 0.319921 O\n0.018246 0.680079 0.692678 O\n0.680079 0.692678 0.018246 O\n0.692678 0.018246 0.680079 O\n",
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{
"id": "mp-766814",
"created_at": "2022-09-04T14:42:44.339919Z",
"structure_string": "Li12 Mn1 Co3 P4 C4 O28\n1.0\n6.493189 0.000000 0.000000\n0.000000 8.460671 0.000000\n0.000000 0.854054 9.993120\nLi Mn Co P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.900718 0.617345 Li\n0.000000 0.906175 0.117858 Li\n0.226749 0.722420 0.874106 Li\n0.773251 0.722420 0.874106 Li\n0.228258 0.724743 0.376450 Li\n0.771742 0.724743 0.376450 Li\n0.726820 0.277600 0.626257 Li\n0.273180 0.277600 0.626257 Li\n0.726508 0.276114 0.122355 Li\n0.273492 0.276114 0.122355 Li\n0.500000 0.098163 0.883285 Li\n0.500000 0.098786 0.383758 Li\n0.000000 0.339250 0.388505 Mn\n0.500000 0.668019 0.605420 Co\n0.500000 0.668862 0.104481 Co\n0.000000 0.331549 0.895212 Co\n0.000000 0.585901 0.641358 P\n0.000000 0.589853 0.136290 P\n0.500000 0.413415 0.861034 P\n0.500000 0.412898 0.361977 P\n0.500000 0.962207 0.649350 C\n0.500000 0.962838 0.149165 C\n0.000000 0.038265 0.849959 C\n0.000000 0.032198 0.350933 C\n0.500000 0.927535 0.526110 O\n0.000000 0.892451 0.819061 O\n0.500000 0.928350 0.026119 O\n0.500000 0.844945 0.743078 O\n0.000000 0.885472 0.320384 O\n0.500000 0.845233 0.242899 O\n0.186709 0.689771 0.589108 O\n0.813291 0.689771 0.589108 O\n0.187210 0.691669 0.083617 O\n0.812790 0.691669 0.083617 O\n0.500000 0.579755 0.913890 O\n0.000000 0.566853 0.797650 O\n0.500000 0.580048 0.414672 O\n0.000000 0.574423 0.292318 O\n0.500000 0.433186 0.705155 O\n0.000000 0.419530 0.589910 O\n0.500000 0.434140 0.205503 O\n0.000000 0.420225 0.088538 O\n0.313368 0.309245 0.912915 O\n0.686632 0.309245 0.912915 O\n0.684270 0.309001 0.414585 O\n0.315730 0.309001 0.414585 O\n0.000000 0.154976 0.756120 O\n0.500000 0.107701 0.681438 O\n0.000000 0.145595 0.254295 O\n0.000000 0.074022 0.973150 O\n0.500000 0.108296 0.181294 O\n0.000000 0.067045 0.473701 O\n",
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"formula_full": "Li12 Mn1 Co3 P4 C4 O28",
"formula_reduced": "Li12MnCo3P4(CO7)4",
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},
{
"id": "mp-720533",
"created_at": "2022-09-04T14:40:06.865665Z",
"structure_string": "Na2 Li10 Ti6 Cr6 P18 O72\n1.0\n-8.464099 0.000000 0.000000\n4.220417 7.851462 0.000000\n-0.010427 -1.046587 -20.875312\nNa Li Ti Cr P O\n2 10 6 6 18 72\ndirect\n0.999651 0.998660 0.498686 Na\n0.338311 0.670443 0.166344 Na\n0.151831 0.627611 0.774828 Li\n0.559030 0.542905 0.691748 Li\n0.757841 0.768401 0.916861 Li\n0.486554 0.303120 0.439297 Li\n0.899623 0.216575 0.361053 Li\n0.098407 0.440982 0.580918 Li\n0.856459 0.378056 0.223754 Li\n0.815983 0.964906 0.106658 Li\n0.232320 0.887688 0.024872 Li\n0.425151 0.100047 0.247819 Li\n0.187558 0.372021 0.953623 Ti\n0.475910 0.953307 0.881465 Ti\n0.518237 0.038592 0.620532 Ti\n0.804809 0.611912 0.547138 Ti\n0.865170 0.727892 0.784400 Ti\n0.147133 0.275529 0.215640 Ti\n0.857401 0.713083 0.287009 Cr\n0.140780 0.282356 0.714814 Cr\n0.201167 0.399978 0.450222 Cr\n0.473367 0.946821 0.381199 Cr\n0.532614 0.065102 0.116275 Cr\n0.807973 0.616346 0.047743 Cr\n0.907112 0.097983 0.845523 P\n0.286190 0.001460 0.749342 P\n0.474989 0.239449 0.989093 P\n0.856045 0.425208 0.677149 P\n0.051533 0.665940 0.918007 P\n0.239934 0.763110 0.512342 P\n0.424065 0.571046 0.822507 P\n0.621892 0.665228 0.414175 P\n0.808977 0.907162 0.654398 P\n0.187538 0.089456 0.346404 P\n0.381805 0.330864 0.583856 P\n0.578750 0.433975 0.179956 P\n0.759205 0.234794 0.489178 P\n0.952189 0.333195 0.082651 P\n0.139362 0.570291 0.321087 P\n0.520806 0.758716 0.010976 P\n0.712128 0.997056 0.250234 P\n0.092517 0.900514 0.155806 P\n0.385144 0.725533 0.827217 O\n0.572256 0.844241 0.945324 O\n0.985763 0.177701 0.912203 O\n0.237540 0.827647 0.929229 O\n0.704194 0.047178 0.843159 O\n0.003545 0.216751 0.793447 O\n0.403033 0.966590 0.701108 O\n0.368294 0.022871 0.817776 O\n0.532387 0.142237 0.937919 O\n0.709943 0.240495 0.667549 O\n0.032812 0.442714 0.705737 O\n0.063386 0.506145 0.933863 O\n0.270590 0.156969 0.734078 O\n0.300593 0.233663 0.964284 O\n0.725388 0.393512 0.494012 O\n0.622893 0.420084 0.998677 O\n0.907376 0.510517 0.611187 O\n0.786977 0.521783 0.724170 O\n0.981559 0.645305 0.846933 O\n0.920608 0.697536 0.961238 O\n0.319494 0.848831 0.578578 O\n0.569387 0.493442 0.593869 O\n0.039040 0.725596 0.510457 O\n0.324975 0.447187 0.874403 O\n0.334275 0.881043 0.459387 O\n0.629507 0.628866 0.829284 O\n0.100504 0.833029 0.747091 O\n0.361073 0.490160 0.754030 O\n0.743589 0.632690 0.369005 O\n0.710563 0.695344 0.483830 O\n0.868003 0.816116 0.601473 O\n0.764003 0.801630 0.716057 O\n0.049491 0.905310 0.337200 O\n0.918596 0.926277 0.839664 O\n0.369278 0.112575 0.372358 O\n0.395766 0.173355 0.602114 O\n0.605615 0.823445 0.401285 O\n0.631779 0.898213 0.632250 O\n0.057738 0.059981 0.162068 O\n0.955282 0.088687 0.664106 O\n0.233987 0.177226 0.279696 O\n0.113014 0.178820 0.394055 O\n0.306936 0.297743 0.513759 O\n0.254902 0.365715 0.628196 O\n0.652240 0.509685 0.246444 O\n0.894690 0.170511 0.257847 O\n0.373876 0.384917 0.176148 O\n0.653745 0.111117 0.540536 O\n0.670270 0.551954 0.126788 O\n0.960157 0.281327 0.498237 O\n0.441020 0.496568 0.413477 O\n0.694999 0.156293 0.420500 O\n0.078556 0.305996 0.036534 O\n0.034861 0.366842 0.153239 O\n0.201480 0.478014 0.267839 O\n0.087857 0.464861 0.381751 O\n0.377999 0.572016 0.001004 O\n0.247779 0.593059 0.510675 O\n0.698727 0.776116 0.039008 O\n0.730774 0.845556 0.268856 O\n0.936466 0.490039 0.068045 O\n0.963305 0.553621 0.293293 O\n0.285960 0.752344 0.330164 O\n0.444240 0.844114 0.059778 O\n0.636028 0.962705 0.179829 O\n0.583831 0.032036 0.294128 O\n0.990592 0.773164 0.205116 O\n0.296108 0.953418 0.164949 O\n0.774891 0.162121 0.079750 O\n0.030637 0.827065 0.086355 O\n0.419014 0.134414 0.050189 O\n0.598835 0.266259 0.177288 O\n",
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"formula_full": "Na2 Li10 Ti6 Cr6 P18 O72",
"formula_reduced": "NaLi5Ti3Cr3(PO4)9",
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"updated_at": "2021-11-28T01:34:52.128000Z",
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},
{
"id": "mp-1235925",
"created_at": "2022-09-04T14:40:08.693670Z",
"structure_string": "Li1 Bi3 Pb1 W1 Cl1 O8\n1.0\n3.986653 0.000000 0.000000\n0.000000 3.986653 0.000000\n0.000000 0.000000 14.925791\nLi Bi Pb W Cl O\n1 3 1 1 1 8\ndirect\n0.500000 0.500000 0.990165 Li\n0.500000 0.500000 0.197675 Bi\n0.000000 0.000000 0.361659 Bi\n0.000000 0.000000 0.628895 Bi\n0.500000 0.500000 0.795100 Pb\n0.000000 0.000000 0.008265 W\n0.500000 0.500000 0.480327 Cl\n0.000000 0.000000 0.144158 O\n0.500000 0.000000 0.014663 O\n0.000000 0.500000 0.014663 O\n0.000000 0.000000 0.882341 O\n0.500000 0.000000 0.698968 O\n0.000000 0.500000 0.698968 O\n0.500000 0.000000 0.287175 O\n0.000000 0.500000 0.287175 O\n",
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],
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"density": 8.318532064392993,
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"formula_full": "Li1 Bi3 Pb1 W1 Cl1 O8",
"formula_reduced": "LiBi3PbWClO8",
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{
"id": "mp-1202461",
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"structure_string": "Li2 Ca4 Mn4 Si10 H2 O30\n1.0\n6.922236 0.000000 0.000000\n-0.622242 7.749538 0.000000\n-0.457534 -3.364085 11.392101\nLi Ca Mn Si H O\n2 4 4 10 2 30\ndirect\n0.666955 0.344533 0.877097 Li\n0.333045 0.655467 0.122903 Li\n0.860940 0.193879 0.058478 Ca\n0.139060 0.806121 0.941522 Ca\n0.715704 0.764205 0.476944 Ca\n0.284296 0.235795 0.523056 Ca\n0.938050 0.407595 0.352703 Mn\n0.061950 0.592405 0.647297 Mn\n0.822724 0.954812 0.763168 Mn\n0.177276 0.045188 0.236832 Mn\n0.650610 0.720911 0.948163 Si\n0.349390 0.279089 0.051837 Si\n0.577541 0.535660 0.679373 Si\n0.422459 0.464340 0.320627 Si\n0.784690 0.192670 0.549791 Si\n0.215310 0.807330 0.450209 Si\n0.702999 0.002772 0.281607 Si\n0.297001 0.997228 0.718393 Si\n0.891444 0.659385 0.154509 Si\n0.108556 0.340615 0.845491 Si\n0.514566 0.073657 0.880550 H\n0.485434 0.926343 0.119450 H\n0.455466 0.792608 0.009166 O\n0.544534 0.207392 0.990834 O\n0.809366 0.877089 0.932442 O\n0.190634 0.122911 0.067558 O\n0.589413 0.558542 0.823735 O\n0.410587 0.441458 0.176265 O\n0.746954 0.673318 0.652000 O\n0.253046 0.326682 0.348000 O\n0.637708 0.458829 0.375027 O\n0.362292 0.541171 0.624973 O\n0.620494 0.318221 0.622762 O\n0.379506 0.681779 0.377238 O\n0.835796 0.037531 0.608352 O\n0.164204 0.962469 0.391648 O\n0.964828 0.322305 0.525938 O\n0.035172 0.677695 0.474062 O\n0.661878 0.071718 0.422243 O\n0.338122 0.928282 0.577757 O\n0.871809 0.124787 0.241628 O\n0.128191 0.875213 0.758372 O\n0.507287 0.000390 0.789594 O\n0.492713 0.999610 0.210406 O\n0.763409 0.792780 0.257376 O\n0.236591 0.207220 0.742624 O\n0.930288 0.479722 0.190001 O\n0.069712 0.520278 0.809999 O\n0.911690 0.228676 0.868701 O\n0.088310 0.771324 0.131299 O\n0.751541 0.602362 0.028788 O\n0.248459 0.397638 0.971212 O\n",
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"formula_full": "Li2 Ca4 Mn4 Si10 H2 O30",
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{
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"structure_string": "Li12 Mn1 Ni3 P4 C4 O28\n1.0\n6.461791 0.000000 0.000000\n0.000000 8.373877 0.000000\n0.000000 0.826726 9.945979\nLi Mn Ni P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.900834 0.617458 Li\n0.000000 0.907597 0.118606 Li\n0.228698 0.723296 0.876318 Li\n0.771302 0.723296 0.876318 Li\n0.228745 0.725110 0.377229 Li\n0.771255 0.725110 0.377229 Li\n0.728315 0.276929 0.625670 Li\n0.271685 0.276929 0.625670 Li\n0.727681 0.275533 0.121138 Li\n0.272319 0.275533 0.121138 Li\n0.500000 0.097108 0.882553 Li\n0.500000 0.097570 0.383433 Li\n0.000000 0.340714 0.388757 Mn\n0.500000 0.667430 0.604423 Ni\n0.500000 0.668076 0.102835 Ni\n0.000000 0.333097 0.897124 Ni\n0.000000 0.585222 0.643178 P\n0.000000 0.590131 0.135436 P\n0.500000 0.415485 0.861012 P\n0.500000 0.414871 0.361809 P\n0.500000 0.960187 0.648602 C\n0.500000 0.960517 0.148359 C\n0.000000 0.040148 0.851011 C\n0.000000 0.030990 0.351000 C\n0.500000 0.923470 0.524984 O\n0.000000 0.893002 0.820370 O\n0.500000 0.924460 0.024680 O\n0.500000 0.843186 0.742997 O\n0.000000 0.882961 0.321359 O\n0.500000 0.842939 0.242409 O\n0.186717 0.689598 0.590595 O\n0.813283 0.689598 0.590595 O\n0.187485 0.692494 0.082699 O\n0.812515 0.692494 0.082699 O\n0.500000 0.582231 0.915730 O\n0.000000 0.564229 0.800373 O\n0.500000 0.581656 0.416788 O\n0.000000 0.573712 0.292034 O\n0.500000 0.438812 0.704191 O\n0.000000 0.417457 0.590602 O\n0.500000 0.438924 0.204888 O\n0.000000 0.418577 0.087796 O\n0.313302 0.309809 0.911932 O\n0.686698 0.309809 0.911932 O\n0.684546 0.308462 0.413062 O\n0.315454 0.308462 0.413062 O\n0.000000 0.157349 0.756824 O\n0.500000 0.107505 0.679535 O\n0.000000 0.144347 0.253386 O\n0.000000 0.077370 0.974542 O\n0.500000 0.107715 0.179640 O\n0.000000 0.067659 0.473994 O\n",
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