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{
"id": "mp-768092",
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"structure_string": "Li4 V4 S4 O16 F12\n1.0\n7.207457 0.000000 0.000000\n0.000000 7.679926 0.000000\n0.000000 0.000000 9.978170\nLi V S O F\n4 4 4 16 12\ndirect\n0.190832 0.638698 0.277317 Li\n0.309168 0.138698 0.777317 Li\n0.690832 0.861302 0.277317 Li\n0.809168 0.361302 0.777317 Li\n0.995033 0.747876 0.990559 V\n0.004967 0.252124 0.490559 V\n0.495033 0.752124 0.990559 V\n0.504967 0.247876 0.490559 V\n0.241616 0.909816 0.511575 S\n0.258384 0.409816 0.011575 S\n0.741616 0.590184 0.511575 S\n0.758384 0.090184 0.011575 S\n0.097269 0.028987 0.439949 O\n0.113994 0.535371 0.072674 O\n0.175897 0.305972 0.904249 O\n0.155174 0.817883 0.619417 O\n0.324103 0.805972 0.404249 O\n0.344826 0.317883 0.119417 O\n0.402731 0.528987 0.939949 O\n0.386006 0.035371 0.572674 O\n0.613994 0.964629 0.072674 O\n0.597269 0.471013 0.439949 O\n0.675897 0.194028 0.904249 O\n0.655174 0.682117 0.619417 O\n0.844826 0.182117 0.119417 O\n0.824103 0.694028 0.404249 O\n0.886006 0.464629 0.572674 O\n0.902731 0.971013 0.939949 O\n0.038608 0.198598 0.670537 F\n0.003549 0.644166 0.831432 F\n0.260796 0.353573 0.491260 F\n0.239204 0.853573 0.991260 F\n0.461392 0.698598 0.170537 F\n0.496451 0.144166 0.331432 F\n0.503549 0.855834 0.831432 F\n0.538608 0.301402 0.670537 F\n0.760796 0.146427 0.491260 F\n0.739204 0.646427 0.991260 F\n0.961392 0.801402 0.170537 F\n0.996451 0.355834 0.331432 F\n",
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{
"id": "mp-1213111",
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"structure_string": "Dy8 Si12 Pd4\n1.0\n4.108025 -7.115307 0.000000\n4.108025 7.115307 0.000000\n0.000000 0.000000 7.881339\nDy Si Pd\n8 12 4\ndirect\n0.511780 0.023560 0.250000 Dy\n0.488220 0.976440 0.750000 Dy\n0.976440 0.488220 0.250000 Dy\n0.023560 0.511780 0.750000 Dy\n0.511780 0.488220 0.250000 Dy\n0.488220 0.511780 0.750000 Dy\n0.000000 0.000000 0.250000 Dy\n0.000000 0.000000 0.750000 Dy\n0.165663 0.331326 0.001624 Si\n0.834337 0.668674 0.998376 Si\n0.668674 0.834337 0.001624 Si\n0.834337 0.668674 0.501624 Si\n0.331326 0.165663 0.998376 Si\n0.165663 0.331326 0.498376 Si\n0.165663 0.834337 0.001624 Si\n0.331326 0.165663 0.501624 Si\n0.834337 0.165663 0.998376 Si\n0.668674 0.834337 0.498376 Si\n0.834337 0.165663 0.501624 Si\n0.165663 0.834337 0.498376 Si\n0.333333 0.666667 0.044472 Pd\n0.666667 0.333333 0.955528 Pd\n0.666667 0.333333 0.544472 Pd\n0.333333 0.666667 0.455528 Pd\n",
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{
"id": "mp-1076879",
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"structure_string": "La20 Sm12 V8 Cr24 O80\n1.0\n0.003303 -0.103045 11.125574\n11.305432 0.002916 0.003042\n-5.651373 16.010299 -5.715066\nLa Sm V Cr O\n20 12 8 24 80\ndirect\n0.314133 0.056863 0.625190 La\n0.299684 0.560384 0.618821 La\n0.815703 0.060373 0.621107 La\n0.812358 0.561245 0.619188 La\n0.187576 0.436902 0.378885 La\n0.199355 0.437191 0.879159 La\n0.189708 0.940124 0.380703 La\n0.688303 0.434710 0.380786 La\n0.687129 0.941153 0.381165 La\n0.051412 0.311449 0.121429 La\n0.068821 0.305479 0.621461 La\n0.062178 0.818907 0.623470 La\n0.547017 0.311431 0.625045 La\n0.442885 0.188755 0.379284 La\n0.449267 0.182191 0.873770 La\n0.443035 0.692447 0.381126 La\n0.431738 0.674441 0.874795 La\n0.927301 0.192469 0.378410 La\n0.956397 0.186906 0.878085 La\n0.942997 0.689431 0.380197 La\n0.296031 0.060797 0.112061 Sm\n0.291675 0.562580 0.114988 Sm\n0.790778 0.058424 0.116803 Sm\n0.801054 0.563080 0.119427 Sm\n0.196647 0.943329 0.880974 Sm\n0.713173 0.436688 0.885647 Sm\n0.700940 0.940374 0.876855 Sm\n0.044816 0.807633 0.117840 Sm\n0.548358 0.305924 0.115430 Sm\n0.540043 0.811101 0.121519 Sm\n0.557866 0.819141 0.624789 Sm\n0.951840 0.698826 0.885555 Sm\n0.114338 0.635311 0.750854 V\n0.625518 0.126753 0.751694 V\n0.610262 0.622288 0.752130 V\n0.372026 0.390214 0.245639 V\n0.365409 0.363311 0.751668 V\n0.375546 0.856947 0.752440 V\n0.860843 0.380888 0.751649 V\n0.854212 0.884121 0.248071 V\n0.002473 0.000916 0.000751 Cr\n0.001370 0.997658 0.497788 Cr\n0.000508 0.503381 0.001129 Cr\n0.999450 0.501810 0.499230 Cr\n0.506256 0.990338 0.997197 Cr\n0.500937 -0.000400 0.501489 Cr\n0.504631 0.500709 0.001417 Cr\n0.502588 0.501277 0.504165 Cr\n0.258055 0.250665 0.000992 Cr\n0.248738 0.248023 0.498446 Cr\n0.250180 0.751595 0.000893 Cr\n0.253053 0.748096 0.499023 Cr\n0.752627 0.248289 0.000524 Cr\n0.752871 0.251068 0.506259 Cr\n0.747154 0.750037 0.998669 Cr\n0.750427 0.750035 0.500215 Cr\n0.120167 0.125943 0.247875 Cr\n0.135848 0.137032 0.750717 Cr\n0.119785 0.631247 0.249220 Cr\n0.609956 0.129067 0.242577 Cr\n0.621647 0.630374 0.247241 Cr\n0.362985 0.876421 0.248613 Cr\n0.860405 0.372332 0.246487 Cr\n0.880977 0.868848 0.750125 Cr\n0.108066 0.113132 0.471227 O\n0.132965 0.095336 0.978603 O\n0.116262 0.612286 0.477042 O\n0.123937 0.602306 0.972979 O\n0.614648 0.109871 0.478739 O\n0.636499 0.092815 0.976890 O\n0.618507 0.613793 0.478907 O\n0.618319 0.591213 0.960568 O\n0.123403 0.382681 0.027429 O\n0.133023 0.383625 0.521515 O\n0.121165 0.869534 0.024528 O\n0.137840 0.882326 0.523228 O\n0.628160 0.373442 0.027696 O\n0.640851 0.387460 0.540023 O\n0.630521 0.874324 0.039308 O\n0.635640 0.882522 0.528065 O\n0.363560 0.112796 0.477586 O\n0.375668 0.099768 0.960327 O\n0.360558 0.609364 0.470799 O\n0.378347 0.628114 0.981318 O\n0.864428 0.108692 0.476839 O\n0.876751 0.123160 0.970781 O\n0.864007 0.615098 0.473919 O\n0.876569 0.625911 0.973106 O\n0.384934 0.411396 0.034180 O\n0.382965 0.391972 0.528851 O\n0.374105 0.900994 0.024652 O\n0.390087 0.885384 0.525079 O\n0.870210 0.406950 0.024953 O\n0.884323 0.394312 0.522290 O\n0.874270 0.909204 0.027418 O\n0.885957 0.888344 0.522120 O\n0.089010 0.105604 0.124129 O\n0.076091 0.093529 0.623471 O\n0.084450 0.610358 0.124499 O\n0.068715 0.606949 0.622787 O\n0.575095 0.106539 0.118907 O\n0.566194 0.102118 0.624241 O\n0.595658 0.615281 0.123806 O\n0.595567 0.629246 0.643905 O\n0.452041 0.384101 0.363797 O\n0.417299 0.395315 0.880572 O\n0.437715 0.899103 0.375644 O\n0.473643 0.878106 0.878341 O\n0.940650 0.400067 0.373931 O\n0.925656 0.394675 0.878064 O\n0.937248 0.895650 0.373027 O\n0.948807 0.900313 0.875698 O\n0.341330 0.266758 0.125777 O\n0.314377 0.266697 0.621931 O\n0.330087 0.768980 0.124606 O\n0.329526 0.769363 0.622283 O\n0.832481 0.263141 0.123478 O\n0.870189 0.274600 0.643279 O\n0.856693 0.766265 0.138517 O\n0.828179 0.774731 0.624892 O\n0.198525 0.227537 0.374297 O\n0.173893 0.228921 0.874943 O\n0.183794 0.729240 0.375410 O\n0.189128 0.737499 0.878847 O\n0.689397 0.220805 0.367209 O\n0.676722 0.232129 0.878998 O\n0.679086 0.727957 0.374916 O\n0.726630 0.734587 0.856084 O\n0.414614 0.067449 0.242601 O\n0.461576 0.023904 0.748387 O\n0.425498 0.567432 0.242451 O\n0.451244 0.530622 0.743733 O\n0.921260 0.057129 0.246306 O\n0.958464 0.049370 0.746405 O\n0.924251 0.559694 0.245802 O\n0.942471 0.556688 0.756930 O\n0.192708 0.444431 0.250752 O\n0.203887 0.470839 0.752252 O\n0.167690 0.933816 0.246734 O\n0.209478 0.950589 0.755833 O\n0.660079 0.432814 0.245219 O\n0.694400 0.462014 0.758378 O\n0.676035 0.942912 0.248483 O\n0.706462 0.950663 0.749330 O\n",
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],
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"formula_full": "La20 Sm12 V8 Cr24 O80",
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{
"id": "mp-754094",
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"structure_string": "Li3 Fe3 Ni1 O8\n1.0\n2.972693 5.114043 0.000000\n-2.972693 5.114043 0.000000\n0.000000 3.444120 4.881841\nLi Fe Ni O\n3 3 1 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Ni\n0.734947 0.277824 0.717925 O\n0.266787 0.266787 0.723377 O\n0.755703 0.755703 0.723571 O\n0.277824 0.734947 0.717925 O\n0.722176 0.265053 0.282075 O\n0.244297 0.244297 0.276429 O\n0.733213 0.733213 0.276623 O\n0.265053 0.722176 0.282075 O\n",
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{
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"structure_string": "Li4 Fe4 P4 O16\n1.0\n4.763527 0.000000 0.000000\n0.000000 6.915406 0.000000\n0.000000 0.000000 9.541247\nLi Fe P O\n4 4 4 16\ndirect\n0.007913 0.094896 0.032099 Li\n0.992087 0.594896 0.467901 Li\n0.492087 0.905104 0.532099 Li\n0.507913 0.405104 0.967901 Li\n0.455696 0.768406 0.185862 Fe\n0.544304 0.268406 0.314138 Fe\n0.044304 0.231594 0.685862 Fe\n0.955696 0.731594 0.814138 Fe\n0.906253 0.503124 0.153890 P\n0.093747 0.003124 0.346110 P\n0.593747 0.496876 0.653890 P\n0.406253 0.996876 0.846110 P\n0.786848 0.668775 0.059810 O\n0.784532 0.304612 0.106454 O\n0.230259 0.503298 0.157619 O\n0.234370 0.035003 0.198692 O\n0.765630 0.535003 0.301308 O\n0.769741 0.003298 0.342381 O\n0.215468 0.804612 0.393546 O\n0.213152 0.168775 0.440190 O\n0.713152 0.331225 0.559810 O\n0.715468 0.695388 0.606454 O\n0.269741 0.496702 0.657619 O\n0.265630 0.964997 0.698692 O\n0.734370 0.464997 0.801308 O\n0.730259 0.996702 0.842381 O\n0.284532 0.195388 0.893546 O\n0.286848 0.831225 0.940190 O\n",
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{
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"structure_string": "Li8 Mn4 Cu12 O32\n1.0\n8.307354 0.000000 0.000000\n0.000000 8.307354 0.000000\n0.000000 0.000000 8.307354\nLi Mn Cu O\n8 4 12 32\ndirect\n0.497599 0.497599 0.497599 Li\n0.752401 0.752401 0.752401 Li\n0.747599 0.247599 0.252401 Li\n0.002401 0.502401 0.997599 Li\n0.997599 0.002401 0.502401 Li\n0.252401 0.747599 0.247599 Li\n0.247599 0.252401 0.747599 Li\n0.502401 0.997599 0.002401 Li\n0.625000 0.375000 0.875000 Mn\n0.875000 0.625000 0.375000 Mn\n0.125000 0.125000 0.125000 Mn\n0.375000 0.875000 0.625000 Mn\n0.628380 0.621620 0.125000 Cu\n0.625000 0.871620 0.378380 Cu\n0.621620 0.125000 0.628380 Cu\n0.878380 0.875000 0.128380 Cu\n0.875000 0.128380 0.878380 Cu\n0.871620 0.378380 0.625000 Cu\n0.128380 0.878380 0.875000 Cu\n0.125000 0.628380 0.621620 Cu\n0.121620 0.375000 0.371620 Cu\n0.378380 0.625000 0.871620 Cu\n0.375000 0.371620 0.121620 Cu\n0.371620 0.121620 0.375000 Cu\n0.616795 0.607124 0.885726 O\n0.614274 0.383205 0.107124 O\n0.607359 0.107359 0.392641 O\n0.642876 0.633205 0.364274 O\n0.607124 0.885726 0.616795 O\n0.642641 0.857359 0.142641 O\n0.635726 0.142876 0.866795 O\n0.633205 0.364274 0.642876 O\n0.866795 0.635726 0.142876 O\n0.864274 0.857124 0.366795 O\n0.857359 0.142641 0.642641 O\n0.892876 0.114274 0.116795 O\n0.857124 0.366795 0.864274 O\n0.892641 0.892641 0.892641 O\n0.885726 0.616795 0.607124 O\n0.883205 0.392876 0.385726 O\n0.116795 0.892876 0.114274 O\n0.114274 0.116795 0.892876 O\n0.107359 0.392641 0.607359 O\n0.142876 0.866795 0.635726 O\n0.107124 0.614274 0.383205 O\n0.142641 0.642641 0.857359 O\n0.135726 0.357124 0.133205 O\n0.133205 0.135726 0.357124 O\n0.366795 0.864274 0.857124 O\n0.364274 0.642876 0.633205 O\n0.357359 0.357359 0.357359 O\n0.392876 0.385726 0.883205 O\n0.357124 0.133205 0.135726 O\n0.392641 0.607359 0.107359 O\n0.385726 0.883205 0.392876 O\n0.383205 0.107124 0.614274 O\n",
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"formula_full": "Li8 Mn4 Cu12 O32",
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{
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}