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{
"id": "mp-695783",
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"structure_string": "Li4 Ni4 P16 O48\n1.0\n9.215905 0.000000 0.000000\n0.000000 9.484598 0.000000\n0.000000 0.000000 10.437989\nLi Ni P O\n4 4 16 48\ndirect\n0.150940 0.251122 0.671628 Li\n0.849060 0.751122 0.828372 Li\n0.349060 0.748878 0.171628 Li\n0.650940 0.248878 0.328372 Li\n0.998921 0.263815 0.293950 Ni\n0.501079 0.736185 0.793950 Ni\n0.001079 0.763815 0.206050 Ni\n0.498921 0.236185 0.706050 Ni\n0.003129 0.558686 0.606268 P\n0.794113 0.537318 0.387438 P\n0.701275 0.954211 0.610661 P\n0.998674 0.481406 0.015545 P\n0.201275 0.545789 0.389339 P\n0.798725 0.045789 0.110661 P\n0.001326 0.981406 0.484455 P\n0.294113 0.962682 0.612562 P\n0.503129 0.941314 0.393732 P\n0.498674 0.018594 0.984455 P\n0.205887 0.037318 0.112562 P\n0.501326 0.518594 0.515545 P\n0.996871 0.058686 0.893732 P\n0.496871 0.441314 0.106268 P\n0.705887 0.462682 0.887438 P\n0.298725 0.454211 0.889339 P\n0.992352 0.637549 0.042112 O\n0.500046 0.118171 0.873548 O\n0.492122 0.851304 0.276324 O\n0.650664 0.103830 0.623184 O\n0.866631 0.117597 0.982490 O\n0.126127 0.936352 0.584987 O\n0.999954 0.881829 0.373548 O\n0.869682 0.945149 0.579688 O\n0.633369 0.882403 0.482490 O\n0.492352 0.862451 0.957888 O\n0.319998 0.119208 0.631327 O\n0.130318 0.445149 0.920312 O\n0.979057 0.903190 0.870296 O\n0.680002 0.619208 0.868673 O\n0.000046 0.381829 0.126452 O\n0.020943 0.403190 0.629704 O\n0.139860 0.089052 0.977173 O\n0.180002 0.880792 0.131327 O\n0.626127 0.563648 0.415013 O\n0.992122 0.648696 0.723676 O\n0.819998 0.380792 0.368673 O\n0.639860 0.410948 0.022827 O\n0.007878 0.148696 0.776324 O\n0.821719 0.144615 0.222666 O\n0.630318 0.054851 0.079688 O\n0.849336 0.896170 0.123184 O\n0.507878 0.351304 0.223676 O\n0.158691 0.135103 0.216782 O\n0.658691 0.364897 0.783218 O\n0.366631 0.382403 0.017510 O\n0.373873 0.063648 0.084987 O\n0.678281 0.855385 0.722666 O\n0.507648 0.362451 0.542112 O\n0.360140 0.910948 0.477173 O\n0.007648 0.137549 0.457888 O\n0.873873 0.436352 0.915013 O\n0.341309 0.864897 0.716782 O\n0.178281 0.644615 0.277334 O\n0.860140 0.589052 0.522827 O\n0.369682 0.554851 0.420312 O\n0.520943 0.096810 0.370296 O\n0.133369 0.617597 0.517510 O\n0.349336 0.603830 0.876816 O\n0.499954 0.618171 0.626452 O\n0.479057 0.596810 0.129704 O\n0.321719 0.355385 0.777334 O\n0.841309 0.635103 0.283218 O\n0.150664 0.396170 0.376816 O\n",
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"formula_full": "Li4 Ni4 P16 O48",
"formula_reduced": "LiNi(PO3)4",
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},
{
"id": "mp-757335",
"created_at": "2022-09-04T14:48:22.401824Z",
"structure_string": "Li4 Cr2 P4 O14\n1.0\n5.624331 0.099856 0.096206\n-1.847487 6.144934 0.041428\n-0.795799 -3.386967 8.199670\nLi Cr P O\n4 2 4 14\ndirect\n0.147471 0.768851 0.955980 Li\n0.852414 0.231378 0.043888 Li\n0.287775 0.217544 0.768015 Li\n0.712402 0.782708 0.232104 Li\n0.877461 0.385696 0.619321 Cr\n0.122570 0.614215 0.380737 Cr\n0.241212 0.148928 0.401224 P\n0.758744 0.850942 0.598745 P\n0.618360 0.704492 0.878979 P\n0.381686 0.295571 0.121070 P\n0.077372 0.891324 0.328477 O\n0.922777 0.108492 0.671526 O\n0.065200 0.304771 0.422102 O\n0.934472 0.694818 0.577709 O\n0.346489 0.562283 0.864761 O\n0.653539 0.437944 0.135467 O\n0.198723 0.439581 0.158631 O\n0.801166 0.560299 0.841325 O\n0.275053 0.090805 0.959480 O\n0.725257 0.909375 0.040495 O\n0.572326 0.783371 0.445298 O\n0.427635 0.216758 0.554723 O\n0.602503 0.811997 0.735893 O\n0.397394 0.187860 0.264050 O\n",
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{
"id": "mp-1210853",
"created_at": "2022-09-04T14:40:10.968684Z",
"structure_string": "Pb6 C72 S12 F60\n1.0\n-0.002607 0.000000 -10.645458\n0.000000 -13.852446 0.000000\n-14.728336 0.000000 1.451668\nPb C S F\n6 72 12 60\ndirect\n0.845805 0.663758 0.487884 Pb\n0.154195 0.336242 0.512116 Pb\n0.654195 0.163758 0.512116 Pb\n0.345805 0.836242 0.487884 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n0.938550 0.766955 0.805627 C\n0.061450 0.233045 0.194373 C\n0.561450 0.266955 0.194373 C\n0.438550 0.733045 0.805627 C\n0.840268 0.841741 0.666005 C\n0.159732 0.158259 0.333995 C\n0.659732 0.341741 0.333995 C\n0.340268 0.658259 0.666005 C\n0.782824 0.892361 0.815308 C\n0.217176 0.107639 0.184692 C\n0.717176 0.392361 0.184692 C\n0.282824 0.607639 0.815308 C\n0.770977 0.899661 0.721212 C\n0.229023 0.100339 0.278788 C\n0.729023 0.399661 0.278788 C\n0.270977 0.600339 0.721212 C\n0.620205 0.671049 0.293005 C\n0.379795 0.328951 0.706995 C\n0.879795 0.171049 0.706995 C\n0.120205 0.828951 0.293005 C\n0.450934 0.392888 0.764942 C\n0.549066 0.607112 0.235058 C\n0.049066 0.892888 0.235058 C\n0.950934 0.107112 0.764942 C\n0.792979 0.545748 0.703323 C\n0.207021 0.454252 0.296677 C\n0.707021 0.045748 0.296677 C\n0.292979 0.954252 0.703323 C\n0.440625 0.396461 0.858010 C\n0.559375 0.603539 0.141990 C\n0.059375 0.896461 0.141990 C\n0.940625 0.103539 0.858010 C\n0.775058 0.554144 0.796000 C\n0.224942 0.445856 0.204000 C\n0.724942 0.054144 0.204000 C\n0.275058 0.945856 0.796000 C\n0.856065 0.164973 0.896103 C\n0.143935 0.835027 0.103897 C\n0.643935 0.664973 0.103897 C\n0.356065 0.335027 0.896103 C\n0.782358 0.228726 0.840163 C\n0.217642 0.771274 0.159837 C\n0.717642 0.728726 0.159837 C\n0.282358 0.271274 0.840163 C\n0.924724 0.775930 0.711572 C\n0.075276 0.224070 0.288428 C\n0.575276 0.275930 0.288428 C\n0.424724 0.724070 0.711572 C\n0.940875 0.439361 0.839140 C\n0.059125 0.560639 0.160860 C\n0.559125 0.939361 0.160860 C\n0.440875 0.060639 0.839140 C\n0.889404 0.483084 0.682183 C\n0.110596 0.516916 0.317817 C\n0.610596 0.983084 0.317817 C\n0.389404 0.016916 0.682183 C\n0.866849 0.825191 0.858179 C\n0.133151 0.174809 0.141821 C\n0.633151 0.325191 0.141821 C\n0.366849 0.674809 0.858179 C\n0.846722 0.501954 0.863193 C\n0.153278 0.498046 0.136806 C\n0.653278 0.001954 0.136806 C\n0.346722 0.998046 0.863193 C\n0.794913 0.230882 0.747404 C\n0.205087 0.769118 0.252596 C\n0.705087 0.730882 0.252596 C\n0.294913 0.269118 0.747404 C\n0.961898 0.430338 0.747986 C\n0.038102 0.569662 0.252014 C\n0.538102 0.930338 0.252014 C\n0.461898 0.069662 0.747986 C\n0.599845 0.679561 0.408921 S\n0.400155 0.320439 0.591079 S\n0.900155 0.179561 0.591079 S\n0.099845 0.820439 0.408921 S\n0.697089 0.611700 0.622330 S\n0.302911 0.388300 0.377670 S\n0.802911 0.111700 0.377670 S\n0.197089 0.888300 0.622330 S\n0.812352 0.851692 0.547655 S\n0.187648 0.148308 0.452345 S\n0.687648 0.351692 0.452345 S\n0.312352 0.648308 0.547655 S\n0.511385 0.459418 0.910652 F\n0.488615 0.540582 0.089348 F\n0.988615 0.959418 0.089348 F\n0.011385 0.040582 0.910652 F\n0.713678 0.949642 0.865399 F\n0.286322 0.050358 0.134601 F\n0.786322 0.449642 0.134601 F\n0.213678 0.550358 0.865399 F\n0.948185 0.631336 0.275981 F\n0.051815 0.368664 0.724019 F\n0.551815 0.131336 0.724019 F\n0.448185 0.868664 0.275981 F\n0.989707 0.612452 0.097013 F\n0.010293 0.387548 0.902987 F\n0.510293 0.112452 0.902987 F\n0.489707 0.887548 0.097013 F\n0.779955 0.792799 0.305364 F\n0.220045 0.207201 0.694636 F\n0.720045 0.292799 0.694636 F\n0.279955 0.707201 0.305364 F\n0.519868 0.798252 0.846504 F\n0.480132 0.201748 0.153496 F\n0.980132 0.298252 0.153496 F\n0.019868 0.701748 0.846504 F\n0.685744 0.614767 0.821903 F\n0.314256 0.385233 0.178097 F\n0.814256 0.114767 0.178097 F\n0.185744 0.885233 0.821903 F\n0.877609 0.816029 0.948921 F\n0.122391 0.183971 0.051079 F\n0.622391 0.316029 0.051079 F\n0.377609 0.683971 0.948921 F\n0.844651 0.162718 0.985719 F\n0.155349 0.837282 0.014281 F\n0.655349 0.662718 0.014281 F\n0.344651 0.337282 0.985719 F\n0.966968 0.954190 0.270101 F\n0.033032 0.045810 0.729899 F\n0.533032 0.454190 0.729899 F\n0.466968 0.545810 0.270101 F\n0.914656 0.472339 0.594063 F\n0.085344 0.527661 0.405938 F\n0.585344 0.972339 0.405938 F\n0.414656 0.027661 0.594063 F\n0.825891 0.511108 0.951002 F\n0.174109 0.488892 0.048998 F\n0.674109 0.011108 0.048998 F\n0.325891 0.988892 0.951002 F\n0.994153 0.715608 0.662978 F\n0.005847 0.284392 0.337022 F\n0.505847 0.215608 0.337022 F\n0.494153 0.784392 0.662978 F\n0.687418 0.964920 0.681616 F\n0.312582 0.035080 0.318384 F\n0.812582 0.464920 0.318384 F\n0.187418 0.535080 0.681616 F\n0.699509 0.288038 0.875817 F\n0.300491 0.711962 0.124183 F\n0.800491 0.788038 0.124183 F\n0.199509 0.211962 0.875817 F\n",
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"formula_full": "Pb6 C72 S12 F60",
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{
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"structure_string": "K1 Al1 F4\n1.0\n3.676853 0.000000 0.000000\n0.000000 3.676853 0.000000\n0.000000 0.000000 6.283441\nK Al F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.785032 F\n0.500000 0.500000 0.214968 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
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{
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"structure_string": "Li2 Ti2 P4 O14\n1.0\n8.288106 0.000000 0.000000\n0.000000 4.948646 0.000000\n0.000000 2.278037 6.669569\nLi Ti P O\n2 2 4 14\ndirect\n0.695132 0.193384 0.321155 Li\n0.195132 0.806616 0.678845 Li\n0.558851 0.791070 0.727841 Ti\n0.058851 0.208930 0.272159 Ti\n0.377233 0.403920 0.474877 P\n0.877233 0.596080 0.525123 P\n0.769394 0.215893 0.917868 P\n0.269394 0.784107 0.082132 P\n0.121578 0.601235 0.077890 O\n0.020750 0.801439 0.490059 O\n0.520750 0.198561 0.509941 O\n0.714945 0.751644 0.508296 O\n0.621578 0.398765 0.922110 O\n0.901158 0.399221 0.756848 O\n0.358323 0.867778 0.881398 O\n0.858323 0.132222 0.118602 O\n0.380898 0.602490 0.602936 O\n0.401158 0.600779 0.243152 O\n0.225083 0.042921 0.144432 O\n0.725083 0.957079 0.855568 O\n0.214945 0.248356 0.491704 O\n0.880898 0.397510 0.397064 O\n",
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{
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"structure_string": "Li10 Mn4 P6 O24\n1.0\n8.502636 0.000000 0.000000\n-4.195536 7.432248 0.000000\n-4.059106 -2.355282 8.127633\nLi Mn P O\n10 4 6 24\ndirect\n0.314085 0.511836 0.391995 Li\n0.374557 0.054937 0.107193 Li\n0.093645 0.217670 0.602093 Li\n0.664833 0.196943 0.405057 Li\n0.021418 0.304926 0.104250 Li\n0.327020 0.777225 0.591414 Li\n0.823807 0.753266 0.211362 Li\n0.216745 0.271988 0.909175 Li\n0.609767 0.929911 0.894161 Li\n0.924819 0.646640 0.850287 Li\n0.726428 0.854598 0.570075 Mn\n0.307811 0.644866 0.973580 Mn\n0.679104 0.346791 0.022301 Mn\n0.303424 0.142214 0.445797 Mn\n0.815878 0.246962 0.757756 P\n0.784637 0.054538 0.245633 P\n0.497648 0.442044 0.252158 P\n0.483158 0.537131 0.745917 P\n0.200223 0.953783 0.751989 P\n0.182930 0.733571 0.241047 P\n0.291599 0.421769 0.115918 O\n0.588331 0.589272 0.407989 O\n0.371738 0.765789 0.404918 O\n0.240909 0.793467 0.104329 O\n0.919258 0.143579 0.740249 O\n0.648007 0.856603 0.118629 O\n0.433918 0.245307 0.284912 O\n0.803108 0.041562 0.417403 O\n0.977753 0.460514 0.812537 O\n0.675951 0.162224 0.186534 O\n0.003009 0.157064 0.261440 O\n0.650395 0.496390 0.187797 O\n0.335772 0.484341 0.818503 O\n0.981027 0.831022 0.733085 O\n0.305439 0.841236 0.779631 O\n0.016772 0.520054 0.181354 O\n0.179848 0.023914 0.597541 O\n0.561985 0.739935 0.725511 O\n0.335542 0.128516 0.905235 O\n0.107301 0.852195 0.279045 O\n0.758032 0.190854 0.895577 O\n0.618128 0.186570 0.591978 O\n0.342442 0.396230 0.570481 O\n0.669701 0.522954 0.857464 O\n",
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"formula_full": "Li10 Mn4 P6 O24",
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