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{
"id": "mp-764848",
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"structure_string": "Li28 Mn10 F48\n1.0\n6.068825 0.000000 0.000000\n0.000000 10.154008 0.000000\n0.000000 0.000000 15.267535\nLi Mn F\n28 10 48\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.749501 0.747855 0.010753 Li\n0.250499 0.747855 0.010753 Li\n0.743195 0.919860 0.165410 Li\n0.256805 0.919860 0.165410 Li\n0.500000 0.644759 0.167206 Li\n0.000000 0.179304 0.178912 Li\n0.000000 0.679304 0.321088 Li\n0.500000 0.144759 0.332794 Li\n0.743195 0.419860 0.334590 Li\n0.256805 0.419860 0.334590 Li\n0.749501 0.247855 0.489247 Li\n0.250499 0.247855 0.489247 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.749501 0.752145 0.510753 Li\n0.250499 0.752145 0.510753 Li\n0.743195 0.580140 0.665410 Li\n0.256805 0.580140 0.665410 Li\n0.500000 0.855241 0.667206 Li\n0.000000 0.320696 0.678912 Li\n0.000000 0.820696 0.821088 Li\n0.500000 0.355241 0.832794 Li\n0.743195 0.080140 0.834590 Li\n0.256805 0.080140 0.834590 Li\n0.749501 0.252145 0.989247 Li\n0.250499 0.252145 0.989247 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.507851 0.137972 Mn\n0.500000 0.302845 0.178247 Mn\n0.500000 0.802845 0.321753 Mn\n0.000000 0.007851 0.362028 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.992149 0.637972 Mn\n0.500000 0.197155 0.678247 Mn\n0.500000 0.697155 0.821753 Mn\n0.000000 0.492149 0.862028 Mn\n0.500000 0.329228 0.051469 F\n0.747396 0.085078 0.078071 F\n0.252604 0.085078 0.078071 F\n0.000000 0.830641 0.079211 F\n0.000000 0.321465 0.084841 F\n0.726099 0.584390 0.084010 F\n0.273901 0.584390 0.084010 F\n0.500000 0.842059 0.088261 F\n0.749947 0.244976 0.255966 F\n0.250053 0.244976 0.255966 F\n0.500000 0.482979 0.245260 F\n0.000000 0.499864 0.271026 F\n0.000000 0.999864 0.228974 F\n0.500000 0.982979 0.254740 F\n0.749947 0.744976 0.244034 F\n0.250053 0.744976 0.244034 F\n0.500000 0.342059 0.411739 F\n0.726099 0.084390 0.415990 F\n0.273901 0.084390 0.415990 F\n0.000000 0.821465 0.415159 F\n0.000000 0.330641 0.420789 F\n0.747396 0.585078 0.421929 F\n0.252604 0.585078 0.421929 F\n0.500000 0.829228 0.448531 F\n0.500000 0.170772 0.551469 F\n0.747396 0.414922 0.578071 F\n0.252604 0.414922 0.578071 F\n0.000000 0.669359 0.579211 F\n0.000000 0.178535 0.584841 F\n0.726099 0.915610 0.584010 F\n0.273901 0.915610 0.584010 F\n0.500000 0.657941 0.588261 F\n0.749947 0.255024 0.755966 F\n0.250053 0.255024 0.755966 F\n0.500000 0.017021 0.745260 F\n0.000000 0.000136 0.771026 F\n0.000000 0.500136 0.728974 F\n0.500000 0.517021 0.754740 F\n0.749947 0.755024 0.744034 F\n0.250053 0.755024 0.744034 F\n0.500000 0.157941 0.911739 F\n0.726099 0.415610 0.915990 F\n0.273901 0.415610 0.915990 F\n0.000000 0.678535 0.915159 F\n0.000000 0.169359 0.920789 F\n0.747396 0.914922 0.921929 F\n0.252604 0.914922 0.921929 F\n0.500000 0.670772 0.948531 F\n",
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"formula_full": "Li28 Mn10 F48",
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"spacegroup": 55
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{
"id": "mp-1192979",
"created_at": "2022-09-04T14:44:55.416199Z",
"structure_string": "Ce4 Cl12 O12\n1.0\n6.788346 0.000000 0.000000\n0.000000 8.429295 0.000000\n0.000000 0.000000 12.222295\nCe Cl O\n4 12 12\ndirect\n0.880606 0.750000 0.986476 Ce\n0.619394 0.750000 0.486476 Ce\n0.119394 0.250000 0.013524 Ce\n0.380606 0.250000 0.513524 Ce\n0.997702 0.750000 0.221338 Cl\n0.502298 0.750000 0.721338 Cl\n0.002298 0.250000 0.778662 Cl\n0.497702 0.250000 0.278662 Cl\n0.815156 0.045899 0.082150 Cl\n0.684844 0.454101 0.582150 Cl\n0.184844 0.545899 0.917850 Cl\n0.315156 0.954101 0.417850 Cl\n0.184844 0.954101 0.917850 Cl\n0.315156 0.545899 0.417850 Cl\n0.815156 0.454101 0.082150 Cl\n0.684844 0.045899 0.582150 Cl\n0.581198 0.750000 0.971882 O\n0.918802 0.750000 0.471882 O\n0.418802 0.250000 0.028118 O\n0.081198 0.250000 0.528118 O\n0.725476 0.623309 0.835667 O\n0.774524 0.876691 0.335667 O\n0.274524 0.123309 0.164333 O\n0.225476 0.376691 0.664333 O\n0.274524 0.376691 0.164333 O\n0.225476 0.123309 0.664333 O\n0.725476 0.876691 0.835667 O\n0.774524 0.623309 0.335667 O\n",
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{
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"created_at": "2022-09-04T14:44:57.722711Z",
"structure_string": "B40 H64 C4 Se4\n1.0\n8.494866 0.000000 0.000000\n0.000000 11.242980 0.000000\n-3.402479 0.000000 14.802384\nB H C Se\n40 64 4 4\ndirect\n0.287274 0.329813 0.757951 B\n0.712726 0.829813 0.742049 B\n0.712726 0.670187 0.242049 B\n0.287274 0.170187 0.257951 B\n0.123689 0.393869 0.680979 B\n0.876311 0.893869 0.819021 B\n0.876311 0.606131 0.319021 B\n0.123689 0.106131 0.180979 B\n0.288705 0.333380 0.641660 B\n0.711295 0.833380 0.858340 B\n0.711295 0.666620 0.358340 B\n0.288705 0.166620 0.141660 B\n0.387878 0.284498 0.211967 B\n0.612122 0.784498 0.288033 B\n0.612122 0.715502 0.788033 B\n0.387878 0.215502 0.711967 B\n0.091606 0.298737 0.769575 B\n0.908394 0.798737 0.730425 B\n0.908394 0.701263 0.230425 B\n0.091606 0.201263 0.269575 B\n0.947775 0.308163 0.661281 B\n0.052225 0.808163 0.838719 B\n0.052225 0.691837 0.338719 B\n0.947775 0.191837 0.161281 B\n0.091120 0.311970 0.575427 B\n0.908880 0.811970 0.924573 B\n0.908880 0.688030 0.424573 B\n0.091120 0.188030 0.075427 B\n0.268331 0.188194 0.601608 B\n0.731669 0.688194 0.898392 B\n0.731669 0.811806 0.398392 B\n0.268331 0.311806 0.101608 B\n0.273853 0.411875 0.193886 B\n0.726147 0.911875 0.306114 B\n0.726147 0.588125 0.806114 B\n0.273853 0.088125 0.693886 B\n0.258262 0.317871 0.287775 B\n0.741738 0.817871 0.212225 B\n0.741738 0.682129 0.712225 B\n0.258262 0.182129 0.787775 B\n0.682892 0.282295 0.916845 H\n0.317108 0.782295 0.583155 H\n0.317108 0.717705 0.083155 H\n0.682892 0.217705 0.416845 H\n0.766894 0.141347 0.960563 H\n0.233106 0.641347 0.539437 H\n0.233106 0.858653 0.039437 H\n0.766894 0.358653 0.460563 H\n0.627949 0.218793 0.014714 H\n0.372051 0.718793 0.485286 H\n0.372051 0.781207 0.985286 H\n0.627949 0.281207 0.514714 H\n0.362561 0.392011 0.816208 H\n0.637439 0.892011 0.683792 H\n0.637439 0.607989 0.183792 H\n0.362561 0.107989 0.316208 H\n0.892785 0.500633 0.318376 H\n0.107215 0.000633 0.181624 H\n0.107215 0.499367 0.681624 H\n0.892785 0.999367 0.818376 H\n0.365116 0.398880 0.605248 H\n0.634884 0.898880 0.894752 H\n0.634884 0.601120 0.394752 H\n0.365116 0.101120 0.105248 H\n0.531709 0.290415 0.231579 H\n0.468291 0.790415 0.268421 H\n0.468291 0.709585 0.768421 H\n0.531709 0.209585 0.731579 H\n0.047066 0.337252 0.833086 H\n0.952934 0.837252 0.666914 H\n0.952934 0.662748 0.166914 H\n0.047066 0.162748 0.333086 H\n0.823459 0.358923 0.659059 H\n0.176541 0.858923 0.840941 H\n0.176541 0.641077 0.340941 H\n0.823459 0.141077 0.159059 H\n0.063521 0.369150 0.507421 H\n0.936479 0.869150 0.992579 H\n0.936479 0.630850 0.492579 H\n0.063521 0.130850 0.007421 H\n0.314332 0.347244 0.037759 H\n0.685668 0.847244 0.462241 H\n0.685668 0.652756 0.962241 H\n0.314332 0.152756 0.537759 H\n0.682945 0.487046 0.803573 H\n0.317055 0.987046 0.696427 H\n0.317055 0.512954 0.196427 H\n0.682945 0.012954 0.303573 H\n0.306790 0.356538 0.362014 H\n0.693210 0.856538 0.137986 H\n0.693210 0.643462 0.637986 H\n0.306790 0.143462 0.862014 H\n0.980076 0.275900 0.229316 H\n0.019924 0.775900 0.270684 H\n0.019924 0.724100 0.770684 H\n0.980076 0.224100 0.729316 H\n0.168688 0.399394 0.116591 H\n0.831312 0.899394 0.383409 H\n0.831312 0.600606 0.883409 H\n0.168688 0.100606 0.616591 H\n0.161268 0.401381 0.242971 H\n0.838732 0.901381 0.257029 H\n0.838732 0.598619 0.757029 H\n0.161268 0.098619 0.742971 H\n0.723664 0.228005 0.977887 C\n0.276336 0.728005 0.522113 C\n0.276336 0.771995 0.022113 C\n0.723664 0.271995 0.477887 C\n0.903594 0.316355 0.054950 Se\n0.096406 0.816355 0.445050 Se\n0.096406 0.683645 0.945050 Se\n0.903594 0.183645 0.554950 Se\n",
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{
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"structure_string": "Rb4 Ho4 Mo8 O32\n1.0\n5.146608 0.000000 0.000000\n0.000000 8.198894 0.000000\n0.000000 0.000000 19.143725\nRb Ho Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.771058 Rb\n0.000000 0.250000 0.228942 Rb\n0.500000 0.250000 0.728942 Rb\n0.500000 0.750000 0.271058 Rb\n0.000000 0.750000 0.006556 Ho\n0.000000 0.250000 0.993444 Ho\n0.500000 0.250000 0.493444 Ho\n0.500000 0.750000 0.506556 Ho\n0.025215 0.515190 0.403109 Mo\n0.974785 0.484810 0.596891 Mo\n0.474785 0.015190 0.096891 Mo\n0.974785 0.984810 0.403109 Mo\n0.525215 0.984810 0.903109 Mo\n0.025215 0.015190 0.596891 Mo\n0.525215 0.484810 0.096891 Mo\n0.474785 0.515190 0.903109 Mo\n0.091193 0.975628 0.316968 O\n0.908807 0.024372 0.683032 O\n0.408807 0.475628 0.183032 O\n0.908807 0.524372 0.316968 O\n0.591193 0.524372 0.816968 O\n0.091193 0.475628 0.683032 O\n0.591193 0.024372 0.183032 O\n0.408807 0.975628 0.816968 O\n0.265879 0.839322 0.094517 O\n0.734121 0.160678 0.905483 O\n0.234121 0.339322 0.405483 O\n0.734121 0.660678 0.094517 O\n0.765879 0.660678 0.594517 O\n0.265879 0.339322 0.905483 O\n0.765879 0.160678 0.405483 O\n0.234121 0.839322 0.594517 O\n0.246908 0.506162 0.035185 O\n0.753092 0.493838 0.964815 O\n0.253092 0.006162 0.464815 O\n0.753092 0.993838 0.035185 O\n0.746908 0.993838 0.535185 O\n0.246908 0.006162 0.964815 O\n0.746908 0.493838 0.464815 O\n0.253092 0.506162 0.535185 O\n0.242163 0.688657 0.413593 O\n0.757837 0.311343 0.586407 O\n0.257837 0.188657 0.086407 O\n0.757837 0.811343 0.413593 O\n0.742163 0.811343 0.913593 O\n0.242163 0.188657 0.586407 O\n0.742163 0.311343 0.086407 O\n0.257837 0.688657 0.913593 O\n",
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{
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{
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"structure_string": "Li4 Cr2 Co4 O12\n1.0\n2.553141 4.436224 -0.009405\n-0.007265 -0.018291 10.119194\n2.443629 -4.358322 0.006418\nLi Cr Co O\n4 2 4 12\ndirect\n0.638496 0.749404 0.492547 Li\n0.854498 0.250581 0.493319 Li\n0.150229 0.749965 0.505148 Li\n0.355630 0.250013 0.506358 Li\n0.501907 0.499802 0.004209 Cr\n0.997619 0.000087 0.995707 Cr\n0.841539 0.499949 0.683140 Co\n0.330076 0.000115 0.660297 Co\n0.658676 0.000087 0.317516 Co\n0.170084 0.499896 0.339959 Co\n0.165683 0.595482 0.013792 O\n0.336324 0.095545 0.986595 O\n0.650169 0.904501 0.986718 O\n0.848659 0.404588 0.013798 O\n0.320758 0.891286 0.350492 O\n0.505942 0.398953 0.356446 O\n0.850336 0.600711 0.356235 O\n0.029688 0.108830 0.350524 O\n0.651038 0.101216 0.644100 O\n0.993165 0.899228 0.644090 O\n0.178379 0.391081 0.649671 O\n0.471104 0.608680 0.649338 O\n",
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{
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"structure_string": "Y2 Er2 Fe4 O12\n1.0\n5.322704 0.000000 0.000000\n0.000000 5.636063 0.000000\n0.000000 0.000000 7.708356\nY Er Fe O\n2 2 4 12\ndirect\n0.729571 0.068365 0.000000 Y\n0.270429 0.568365 0.000000 Y\n0.769472 0.930199 0.500000 Er\n0.230528 0.430199 0.500000 Er\n0.250494 0.999808 0.748690 Fe\n0.749506 0.499808 0.251310 Fe\n0.250494 0.999808 0.251310 Fe\n0.749506 0.499808 0.748690 Fe\n0.865775 0.456481 0.000000 O\n0.134225 0.956481 0.000000 O\n0.628090 0.547317 0.500000 O\n0.371910 0.047317 0.500000 O\n0.558693 0.805494 0.808804 O\n0.441307 0.305494 0.191196 O\n0.941417 0.193517 0.313173 O\n0.058583 0.693517 0.686827 O\n0.941417 0.193517 0.686827 O\n0.058583 0.693517 0.313173 O\n0.558693 0.805494 0.191196 O\n0.441307 0.305494 0.808804 O\n",
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"formula_full": "Y2 Er2 Fe4 O12",
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]
}