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{
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{
"id": "mp-778044",
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"structure_string": "Li2 V2 F8\n1.0\n5.115417 0.000000 0.000000\n-0.038085 5.172098 0.000000\n-1.193259 -0.214595 5.044224\nLi V F\n2 2 8\ndirect\n0.180006 0.499091 0.742056 Li\n0.819994 0.500909 0.257944 Li\n0.695601 0.949623 0.789983 V\n0.304399 0.050377 0.210017 V\n0.331591 0.855889 0.547091 F\n0.988867 0.794126 0.091020 F\n0.489226 0.758965 0.029427 F\n0.829893 0.661918 0.601340 F\n0.170107 0.338082 0.398660 F\n0.510774 0.241035 0.970573 F\n0.011133 0.205874 0.908980 F\n0.668409 0.144111 0.452909 F\n",
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},
{
"id": "mp-1020125",
"created_at": "2022-09-04T14:43:19.486281Z",
"structure_string": "Mg16 Si16 O48\n1.0\n5.331131 0.000000 0.000000\n0.000000 8.920940 0.000000\n0.000000 0.000000 18.707792\nMg Si O\n16 16 48\ndirect\n0.097205 0.101350 0.686572 Mg\n0.902795 0.898650 0.186572 Mg\n0.402795 0.101350 0.186572 Mg\n0.597205 0.898650 0.686572 Mg\n0.095092 0.743413 0.688697 Mg\n0.904908 0.256587 0.188697 Mg\n0.404908 0.743413 0.188697 Mg\n0.595092 0.256587 0.688697 Mg\n0.964837 0.400134 0.938145 Mg\n0.035163 0.599866 0.438145 Mg\n0.535163 0.400134 0.438145 Mg\n0.464837 0.599866 0.938145 Mg\n0.465580 0.241041 0.936764 Mg\n0.534420 0.758959 0.436764 Mg\n0.034420 0.241041 0.436764 Mg\n0.965580 0.758959 0.936764 Mg\n0.569533 0.911424 0.039379 Si\n0.430467 0.088576 0.539379 Si\n0.930467 0.911424 0.539379 Si\n0.069533 0.088576 0.039379 Si\n0.623539 0.411973 0.083868 Si\n0.376461 0.588027 0.583868 Si\n0.876461 0.411973 0.583868 Si\n0.123539 0.588027 0.083868 Si\n0.768394 0.089182 0.835022 Si\n0.231606 0.910818 0.335022 Si\n0.731606 0.089182 0.335022 Si\n0.268394 0.910818 0.835022 Si\n0.299762 0.410935 0.791492 Si\n0.700238 0.589065 0.291492 Si\n0.200238 0.410935 0.291492 Si\n0.799762 0.589065 0.791492 Si\n0.573474 0.907819 0.127117 O\n0.426526 0.092181 0.627117 O\n0.926526 0.907819 0.627117 O\n0.073474 0.092181 0.127117 O\n0.651877 0.761522 0.996989 O\n0.348123 0.238478 0.496989 O\n0.848123 0.761522 0.496989 O\n0.151877 0.238478 0.996989 O\n0.780209 0.040286 0.013114 O\n0.219791 0.959714 0.513114 O\n0.719791 0.040286 0.513114 O\n0.280209 0.959714 0.013114 O\n0.627248 0.408818 0.996568 O\n0.372752 0.591182 0.496568 O\n0.872752 0.408818 0.496568 O\n0.127248 0.591182 0.996568 O\n0.413655 0.538661 0.110501 O\n0.586345 0.461339 0.610501 O\n0.086345 0.538661 0.610501 O\n0.913655 0.461339 0.110501 O\n0.089110 0.740130 0.128457 O\n0.910890 0.259870 0.628457 O\n0.410890 0.740130 0.628457 O\n0.589110 0.259870 0.128457 O\n0.771730 0.089279 0.747781 O\n0.228270 0.910721 0.247781 O\n0.728270 0.089279 0.247781 O\n0.271730 0.910721 0.747781 O\n0.285292 0.752968 0.875923 O\n0.714708 0.247032 0.375923 O\n0.214708 0.752968 0.375923 O\n0.785292 0.247032 0.875923 O\n0.486648 0.030088 0.864887 O\n0.513352 0.969912 0.364887 O\n0.013352 0.030088 0.364887 O\n0.986648 0.969912 0.864887 O\n0.293247 0.408277 0.878602 O\n0.706753 0.591723 0.378602 O\n0.206753 0.408277 0.378602 O\n0.793247 0.591723 0.878602 O\n0.278724 0.255111 0.748810 O\n0.721276 0.744889 0.248810 O\n0.221276 0.255111 0.248810 O\n0.778724 0.744889 0.748810 O\n0.583191 0.468200 0.763312 O\n0.416809 0.531800 0.263312 O\n0.916809 0.468200 0.263312 O\n0.083191 0.531800 0.763312 O\n",
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"elements": [
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],
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},
{
"id": "mp-761230",
"created_at": "2022-09-04T14:45:42.723044Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.239576 0.000000 0.000000\n0.077703 9.169283 0.000000\n0.096502 0.218485 10.185636\nLi Fe B O\n4 8 8 24\ndirect\n0.157970 0.167543 0.642628 Li\n0.330111 0.317985 0.909025 Li\n0.655146 0.679831 0.654057 Li\n0.839223 0.833729 0.361435 Li\n0.151979 0.838587 0.629811 Fe\n0.178968 0.497655 0.136983 Fe\n0.323421 0.988469 0.881811 Fe\n0.331688 0.657768 0.377301 Fe\n0.665467 0.338646 0.625856 Fe\n0.668127 0.009269 0.128672 Fe\n0.836875 0.168777 0.373815 Fe\n0.828844 0.496126 0.888003 Fe\n0.168978 0.498093 0.630536 B\n0.176041 0.837218 0.142561 B\n0.331825 0.992895 0.381254 B\n0.325633 0.657786 0.866544 B\n0.652643 0.005094 0.627318 B\n0.660649 0.328480 0.117734 B\n0.835019 0.505990 0.390941 B\n0.835602 0.172255 0.876358 B\n0.087542 0.504068 0.349863 O\n0.091893 0.168150 0.856935 O\n0.205958 0.785768 0.834768 O\n0.222319 0.855197 0.418074 O\n0.195348 0.115123 0.397496 O\n0.187419 0.535612 0.910906 O\n0.302533 0.368320 0.644345 O\n0.329026 0.943570 0.085502 O\n0.288738 0.624628 0.587538 O\n0.287022 0.704857 0.184049 O\n0.407044 0.334537 0.097447 O\n0.400378 0.009114 0.665913 O\n0.584444 0.990824 0.334134 O\n0.586817 0.642100 0.848287 O\n0.696162 0.303660 0.833355 O\n0.725204 0.376748 0.436238 O\n0.696975 0.634872 0.388820 O\n0.690421 0.063068 0.933315 O\n0.817112 0.444930 0.076352 O\n0.781864 0.875039 0.612739 O\n0.780340 0.138803 0.599562 O\n0.780053 0.205393 0.171516 O\n0.920606 0.860879 0.163543 O\n0.907537 0.502128 0.665143 O\n",
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"elements": [
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"B",
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"formula_full": "Li4 Fe8 B8 O24",
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"spacegroup": 1
},
{
"id": "mp-1245229",
"created_at": "2022-09-04T14:46:25.428864Z",
"structure_string": "Si45 N60\n1.0\n10.559446 0.182119 0.042840\n0.176255 10.094940 0.392738\n0.044521 0.392610 10.974027\nSi N\n45 60\ndirect\n0.883342 0.819530 0.561788 Si\n0.148315 0.182790 0.481306 Si\n0.959564 0.410043 0.837818 Si\n0.390337 0.461447 0.896075 Si\n0.192056 0.961684 0.904689 Si\n0.223199 0.688483 0.515873 Si\n0.494827 0.867336 0.262896 Si\n0.757193 0.264074 0.706059 Si\n0.694939 0.698939 0.618980 Si\n0.223444 0.199258 0.215500 Si\n0.634756 0.307262 0.961055 Si\n0.640612 0.069872 0.901293 Si\n0.764119 0.704734 0.062527 Si\n0.747944 0.967317 0.127498 Si\n0.146904 0.459738 0.370021 Si\n0.104296 0.252928 0.974634 Si\n0.169134 0.671352 0.795828 Si\n0.903034 0.334956 0.373290 Si\n0.442453 0.420211 0.284101 Si\n0.870962 0.075675 0.527372 Si\n0.640569 0.012921 0.640394 Si\n0.701961 0.441954 0.202806 Si\n0.490119 0.637194 0.098256 Si\n0.002736 0.327242 0.588861 Si\n0.656807 0.456254 0.471248 Si\n0.505121 0.160240 0.167831 Si\n0.969006 0.505912 0.170692 Si\n0.042964 0.732153 0.024879 Si\n0.364628 0.486767 0.537613 Si\n0.027752 0.742614 0.308338 Si\n0.230368 0.484297 0.113455 Si\n0.893332 0.653077 0.822323 Si\n0.244968 0.295705 0.740050 Si\n0.034541 0.001988 0.135827 Si\n0.654589 0.009934 0.368565 Si\n0.429376 0.696496 0.687499 Si\n0.504474 0.278055 0.561168 Si\n0.869179 0.250918 0.106593 Si\n0.743085 0.746086 0.353364 Si\n0.398148 0.978733 0.513185 Si\n0.377173 0.148359 0.978826 Si\n0.217928 0.942232 0.354189 Si\n0.135289 0.930685 0.632036 Si\n0.394487 0.978900 0.773354 Si\n0.646547 0.571840 0.867773 Si\n0.514614 0.100396 0.534020 N\n0.345068 0.285678 0.875636 N\n0.364980 0.532878 0.033126 N\n0.584972 0.653882 0.728847 N\n0.162693 0.759173 0.647025 N\n0.603342 0.024315 0.215044 N\n0.800840 0.518166 0.855573 N\n0.758019 0.800051 0.191338 N\n0.972232 0.197606 0.480614 N\n0.382057 0.939626 0.362272 N\n0.285180 0.485948 0.262087 N\n0.891735 0.736744 0.958688 N\n0.880457 0.075275 0.139234 N\n0.438900 0.774416 0.163525 N\n0.609410 0.846690 0.380168 N\n0.714847 0.317146 0.097765 N\n0.977210 0.948534 0.589493 N\n0.354248 0.993098 0.924951 N\n0.693848 0.619067 0.479134 N\n0.211688 0.522502 0.496026 N\n0.146332 0.794915 0.909450 N\n0.416583 0.874463 0.651261 N\n0.038585 0.572936 0.810100 N\n0.375255 0.345525 0.639451 N\n0.107165 0.068837 0.996518 N\n0.181026 0.316774 0.097953 N\n0.647520 0.345934 0.603250 N\n0.894483 0.779215 0.406706 N\n0.711950 0.949187 0.983613 N\n0.769785 0.111474 0.645365 N\n0.388498 0.654680 0.546406 N\n0.994926 0.431654 0.460208 N\n0.086449 0.565272 0.065057 N\n0.201204 0.272390 0.357026 N\n0.216147 0.002668 0.748041 N\n0.219371 0.018832 0.504417 N\n0.744212 0.387137 0.356738 N\n0.789595 0.067991 0.398242 N\n0.486950 0.421357 0.445404 N\n0.551629 0.438443 0.890984 N\n0.119217 0.333212 0.831933 N\n0.712024 0.871545 0.589415 N\n0.327678 0.598922 0.791333 N\n0.620481 0.664379 0.994133 N\n0.947586 0.307150 0.977081 N\n0.499771 0.267497 0.270201 N\n0.899489 0.341160 0.704546 N\n0.150368 0.253629 0.618316 N\n0.539756 0.169296 0.003733 N\n0.813787 0.556604 0.147256 N\n0.853354 0.693653 0.670783 N\n0.160440 0.788278 0.390787 N\n0.135801 0.049051 0.251859 N\n0.555253 0.522479 0.211149 N\n0.350643 0.127980 0.136025 N\n0.552961 0.026658 0.775145 N\n0.946266 0.334825 0.221065 N\n0.042782 0.578766 0.287949 N\n0.036579 0.827955 0.156406 N\n0.711170 0.220669 0.852584 N\n",
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],
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"volume": 1167.8045128793856,
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"formula_full": "Si45 N60",
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{
"id": "mp-1044753",
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"structure_string": "Pr2 Zn2 Cr4 O12\n1.0\n5.306764 0.000000 0.000000\n0.000000 5.404597 0.000000\n0.000000 0.000000 7.755670\nPr Zn Cr O\n2 2 4 12\ndirect\n0.008124 0.701115 0.000000 Pr\n0.508124 0.298885 0.500000 Pr\n0.491307 0.220463 0.000000 Zn\n0.991307 0.779537 0.500000 Zn\n0.996308 0.242711 0.748586 Cr\n0.996308 0.242711 0.251414 Cr\n0.496308 0.757289 0.248586 Cr\n0.496308 0.757289 0.751414 Cr\n0.082115 0.192750 0.500000 O\n0.218860 0.961680 0.802496 O\n0.218860 0.961680 0.197504 O\n0.307065 0.441436 0.192122 O\n0.307065 0.441436 0.807878 O\n0.374966 0.728428 0.500000 O\n0.582115 0.807250 0.000000 O\n0.718860 0.038320 0.697504 O\n0.718860 0.038320 0.302496 O\n0.807065 0.558564 0.692122 O\n0.807065 0.558564 0.307878 O\n0.874966 0.271572 0.000000 O\n",
"nsites": 20,
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"elements": [
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],
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},
{
"id": "mp-766625",
"created_at": "2022-09-04T14:42:23.857301Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.258050 0.000000 0.000000\n-2.538000 4.627340 0.000000\n-0.225492 -0.568423 20.113336\nLi Fe B O\n4 8 8 24\ndirect\n0.646718 0.669628 0.077121 Li\n0.665310 0.642235 0.826802 Li\n0.350182 0.345395 0.210580 Li\n0.347511 0.351895 0.455560 Li\n0.015201 0.675629 0.191844 Fe\n0.007934 0.674934 0.689314 Fe\n0.314736 0.006184 0.063166 Fe\n0.320891 0.986405 0.564590 Fe\n0.676318 0.990360 0.438104 Fe\n0.678571 0.024244 0.938155 Fe\n0.979759 0.331894 0.320689 Fe\n0.008996 0.316991 0.811731 Fe\n0.997277 0.342060 0.066375 B\n0.991539 0.331681 0.564323 B\n0.668746 0.007136 0.186943 B\n0.664451 0.006802 0.688712 B\n0.341639 0.005296 0.309993 B\n0.338607 0.993578 0.815039 B\n0.000076 0.657414 0.441434 B\n0.013464 0.674331 0.936866 B\n0.910631 0.266963 0.203948 O\n0.879462 0.276898 0.710540 O\n0.747831 0.092602 0.043075 O\n0.972770 0.586925 0.086804 O\n0.720064 0.114888 0.545016 O\n0.018989 0.595990 0.587802 O\n0.404798 0.001332 0.170872 O\n0.738306 0.649848 0.440770 O\n0.397374 0.980177 0.667047 O\n0.789628 0.733525 0.928652 O\n0.686265 0.753846 0.180977 O\n0.711962 0.776733 0.691039 O\n0.305665 0.240100 0.301724 O\n0.349035 0.254972 0.816849 O\n0.260132 0.349770 0.070376 O\n0.586010 0.013797 0.336661 O\n0.230177 0.294099 0.557915 O\n0.581919 0.969474 0.836704 O\n0.029012 0.415181 0.422928 O\n0.975304 0.404611 0.918507 O\n0.253149 0.907550 0.463998 O\n0.280541 0.881433 0.962608 O\n0.118671 0.731414 0.284849 O\n0.091528 0.740924 0.792244 O\n",
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},
{
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