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{
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{
"id": "mp-1176367",
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"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.739756 0.000000 0.000000\n-0.109202 8.807782 0.000000\n-0.038372 -0.209785 10.201560\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.245235 0.917002 0.878391 Na\n0.245117 0.915244 0.378700 Na\n0.997809 0.745815 0.123198 Na\n0.501679 0.745273 0.121889 Na\n0.501799 0.251252 0.875492 Na\n0.501977 0.253341 0.375391 Na\n0.031190 0.725656 0.613547 Li\n0.466909 0.726837 0.613405 Li\n0.972546 0.271837 0.889176 Li\n0.976861 0.272745 0.386561 Li\n0.770664 0.085369 0.628968 Li\n0.767901 0.096043 0.125985 Li\n0.748911 0.639796 0.880474 Mn\n0.749506 0.640260 0.394959 Mn\n0.242666 0.350772 0.615166 Mn\n0.243469 0.359207 0.109841 Mn\n0.243240 0.587450 0.848218 P\n0.243993 0.583333 0.360925 P\n0.752654 0.408037 0.648002 P\n0.751919 0.406431 0.145157 P\n0.760460 0.956456 0.864511 C\n0.760869 0.955520 0.365997 C\n0.249708 0.046561 0.631326 C\n0.247526 0.060851 0.134095 C\n0.251034 0.898430 0.638102 O\n0.253430 0.914622 0.145370 O\n0.754918 0.921012 0.988099 O\n0.754646 0.920571 0.488461 O\n0.747013 0.851544 0.773114 O\n0.749615 0.847027 0.275750 O\n0.064537 0.683317 0.894628 O\n0.433174 0.672991 0.895976 O\n0.065947 0.680765 0.409323 O\n0.433073 0.670155 0.412219 O\n0.244109 0.579885 0.693799 O\n0.753408 0.575495 0.598927 O\n0.246398 0.575762 0.207919 O\n0.748203 0.566744 0.085293 O\n0.232160 0.422149 0.899449 O\n0.774800 0.417203 0.800480 O\n0.231746 0.418794 0.411342 O\n0.774911 0.424644 0.297651 O\n0.559931 0.319233 0.610960 O\n0.924108 0.311650 0.589293 O\n0.561517 0.311838 0.112882 O\n0.924890 0.308604 0.089956 O\n0.245175 0.130980 0.737362 O\n0.238932 0.148762 0.237886 O\n0.251600 0.112627 0.518967 O\n0.249479 0.121234 0.018948 O\n0.778941 0.097553 0.829888 O\n0.777697 0.095323 0.328586 O\n",
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},
{
"id": "mp-753528",
"created_at": "2022-09-04T14:39:37.232254Z",
"structure_string": "Li6 Fe1 Ni1 P2 C2 O14\n1.0\n8.470854 0.079319 -0.000521\n0.438434 4.956966 0.000336\n-0.000504 0.001040 6.495489\nLi Fe Ni P C O\n6 1 1 2 2 14\ndirect\n0.104343 0.784091 0.249969 Li\n0.272578 0.261673 0.016743 Li\n0.272647 0.261613 0.483147 Li\n0.725711 0.739956 0.519288 Li\n0.725731 0.739541 0.980832 Li\n0.894603 0.212873 0.749991 Li\n0.663351 0.216107 0.249986 Fe\n0.332815 0.792685 0.750047 Ni\n0.410629 0.726783 0.250040 P\n0.585836 0.271180 0.750019 P\n0.042247 0.687860 0.749967 C\n0.963366 0.312825 0.249952 C\n0.072553 0.938133 0.749943 O\n0.107177 0.380818 0.249955 O\n0.163709 0.503961 0.750032 O\n0.308007 0.834253 0.062920 O\n0.308023 0.834247 0.437078 O\n0.420748 0.165037 0.749969 O\n0.428334 0.411118 0.250127 O\n0.562550 0.587294 0.750086 O\n0.578196 0.824307 0.250064 O\n0.691183 0.165976 0.934979 O\n0.691173 0.166257 0.565047 O\n0.843206 0.499397 0.249816 O\n0.898349 0.618733 0.749932 O\n0.932932 0.063284 0.250071 O\n",
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],
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"formula_full": "Li6 Fe1 Ni1 P2 C2 O14",
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{
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"structure_string": "Fe1 H36 C12 S6 Br3 O6\n1.0\n8.415111 -5.462883 0.000000\n8.415111 5.462883 0.000000\n4.868742 0.000000 8.772259\nFe H C S Br O\n1 36 12 6 3 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.291819 0.583873 0.102699 H\n0.583873 0.102699 0.291819 H\n0.102699 0.291819 0.583873 H\n0.708181 0.416127 0.897301 H\n0.416127 0.897301 0.708181 H\n0.897301 0.708181 0.416127 H\n0.416405 0.547138 0.209032 H\n0.547138 0.209032 0.416405 H\n0.209032 0.416405 0.547138 H\n0.583595 0.452862 0.790968 H\n0.452862 0.790968 0.583595 H\n0.790968 0.583595 0.452862 H\n0.461618 0.650280 0.007129 H\n0.650280 0.007129 0.461618 H\n0.007129 0.461618 0.650280 H\n0.538382 0.349720 0.992871 H\n0.349720 0.992871 0.538382 H\n0.992871 0.538382 0.349720 H\n0.499028 0.855705 0.050881 H\n0.855705 0.050881 0.499028 H\n0.050881 0.499028 0.855705 H\n0.500972 0.144295 0.949119 H\n0.144295 0.949119 0.500972 H\n0.949119 0.500972 0.144295 H\n0.454239 0.769035 0.256158 H\n0.769035 0.256158 0.454239 H\n0.256158 0.454239 0.769035 H\n0.545761 0.230965 0.743842 H\n0.230965 0.743842 0.545761 H\n0.743842 0.545761 0.230965 H\n0.360023 0.968216 0.180489 H\n0.968216 0.180489 0.360023 H\n0.180489 0.360023 0.968216 H\n0.639977 0.031784 0.819511 H\n0.031784 0.819511 0.639977 H\n0.819511 0.639977 0.031784 H\n0.370169 0.627164 0.113650 C\n0.627164 0.113650 0.370169 C\n0.113650 0.370169 0.627164 C\n0.629831 0.372836 0.886350 C\n0.372836 0.886350 0.629831 C\n0.886350 0.629831 0.372836 C\n0.410362 0.855239 0.160809 C\n0.855239 0.160809 0.410362 C\n0.160809 0.410362 0.855239 C\n0.589638 0.144761 0.839191 C\n0.144761 0.839191 0.589638 C\n0.839191 0.589638 0.144761 C\n0.260667 0.801357 0.162383 S\n0.801357 0.162383 0.260667 S\n0.162383 0.260667 0.801357 S\n0.739333 0.198643 0.837617 S\n0.198643 0.837617 0.739333 S\n0.837617 0.739333 0.198643 S\n0.755364 0.755364 0.755364 Br\n0.244636 0.244636 0.244636 Br\n0.500000 0.500000 0.500000 Br\n0.216881 0.914574 0.015065 O\n0.914574 0.015065 0.216881 O\n0.015065 0.216881 0.914574 O\n0.783119 0.085426 0.984935 O\n0.085426 0.984935 0.783119 O\n0.984935 0.783119 0.085426 O\n",
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"formula_full": "Fe1 H36 C12 S6 Br3 O6",
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},
{
"id": "mp-772618",
"created_at": "2022-09-04T14:39:37.949115Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.699453 0.000000 0.000000\n-0.101907 8.685957 0.000000\n0.000649 -0.267680 10.095223\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.256631 0.084803 0.622863 Na\n0.998708 0.249807 0.372771 Na\n0.997478 0.251652 0.876172 Na\n0.500485 0.749977 0.625287 Na\n0.265054 0.078387 0.127258 Li\n0.473196 0.272096 0.384715 Li\n0.473859 0.272380 0.888598 Li\n0.521206 0.736168 0.118936 Li\n0.976378 0.736725 0.115795 Li\n0.975287 0.728525 0.612491 Li\n0.742832 0.912944 0.369889 Li\n0.749310 0.909994 0.875523 Li\n0.745218 0.354270 0.113877 Mn\n0.742703 0.360139 0.611180 Mn\n0.246038 0.645654 0.383794 Mn\n0.249197 0.648246 0.892835 Mn\n0.254353 0.406891 0.148053 P\n0.246296 0.414933 0.646317 P\n0.744975 0.594641 0.350248 P\n0.750144 0.594239 0.858114 P\n0.748813 0.039093 0.133567 C\n0.758068 0.044776 0.635494 C\n0.259225 0.948123 0.356815 C\n0.260700 0.956442 0.871583 C\n0.276837 0.095766 0.339009 O\n0.277555 0.102859 0.851125 O\n0.753526 0.082653 0.011621 O\n0.752254 0.082506 0.511837 O\n0.743143 0.141503 0.230250 O\n0.736662 0.150570 0.728586 O\n0.062410 0.313985 0.109640 O\n0.429513 0.308816 0.091223 O\n0.059044 0.315093 0.609593 O\n0.427266 0.326827 0.585645 O\n0.271986 0.418963 0.302385 O\n0.734306 0.427292 0.402206 O\n0.270178 0.425438 0.800450 O\n0.731931 0.427044 0.908707 O\n0.255561 0.574544 0.097211 O\n0.753227 0.582311 0.195120 O\n0.229498 0.580705 0.594559 O\n0.765977 0.582292 0.703560 O\n0.564302 0.694238 0.393005 O\n0.929784 0.685855 0.404214 O\n0.569404 0.696288 0.899613 O\n0.934041 0.683828 0.915569 O\n0.243622 0.855308 0.254188 O\n0.250340 0.859385 0.770788 O\n0.256384 0.892122 0.474517 O\n0.253061 0.905612 0.990943 O\n0.748819 0.894066 0.162603 O\n0.783213 0.903231 0.669655 O\n",
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{
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{
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{
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