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{
"id": "mp-29186",
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"structure_string": "La8 Si16 P48\n1.0\n5.101217 -14.172475 0.000000\n5.101217 14.172475 0.000000\n0.000000 0.000000 10.459762\nLa Si P\n8 16 48\ndirect\n0.541264 0.458736 0.575684 La\n0.458736 0.541264 0.075684 La\n0.265874 0.734126 0.614340 La\n0.734126 0.265874 0.114340 La\n0.189751 0.810249 0.095695 La\n0.810249 0.189751 0.595695 La\n0.081092 0.918908 0.500260 La\n0.918908 0.081092 0.000260 La\n0.741384 0.580203 0.177366 Si\n0.487507 0.157444 0.718406 Si\n0.512493 0.842556 0.218406 Si\n0.842556 0.512493 0.718406 Si\n0.157444 0.487507 0.218406 Si\n0.493280 0.849885 0.885098 Si\n0.506720 0.150115 0.385098 Si\n0.150115 0.506720 0.885098 Si\n0.849885 0.493280 0.385098 Si\n0.258616 0.419797 0.677366 Si\n0.419797 0.258616 0.177366 Si\n0.580203 0.741384 0.677366 Si\n0.104209 0.237019 0.358425 Si\n0.895791 0.762981 0.858425 Si\n0.762981 0.895791 0.358425 Si\n0.237019 0.104209 0.858425 Si\n0.398461 0.931841 0.385457 P\n0.726809 0.273191 0.403245 P\n0.273191 0.726809 0.903245 P\n0.542201 0.457799 0.278278 P\n0.457799 0.542201 0.778278 P\n0.422443 0.577557 0.356222 P\n0.577557 0.422443 0.856222 P\n0.656123 0.343877 0.852966 P\n0.008724 0.300326 0.353755 P\n0.991276 0.699674 0.853755 P\n0.699674 0.991276 0.353755 P\n0.300326 0.008724 0.853755 P\n0.171059 0.229671 0.171710 P\n0.828941 0.770329 0.671710 P\n0.770329 0.828941 0.171710 P\n0.229671 0.171059 0.671710 P\n0.860902 0.547765 0.177920 P\n0.139098 0.452235 0.677920 P\n0.452235 0.139098 0.177920 P\n0.547765 0.860902 0.677920 P\n0.050160 0.534421 0.188197 P\n0.949840 0.465579 0.688197 P\n0.465579 0.949840 0.188197 P\n0.534421 0.050160 0.688197 P\n0.170779 0.415651 0.037010 P\n0.829221 0.584349 0.537010 P\n0.584349 0.829221 0.037010 P\n0.415651 0.170779 0.537010 P\n0.068159 0.601539 0.385457 P\n0.931841 0.398461 0.885457 P\n0.343877 0.656123 0.352966 P\n0.601539 0.068159 0.885457 P\n0.882239 0.798359 0.252925 P\n0.117761 0.201641 0.752925 P\n0.201641 0.117761 0.252925 P\n0.798359 0.882239 0.752925 P\n0.299797 0.393796 0.478847 P\n0.700203 0.606204 0.978847 P\n0.182377 0.817623 0.379188 P\n0.393796 0.299797 0.978847 P\n0.969028 0.030972 0.462610 P\n0.030972 0.969028 0.962610 P\n0.925155 0.074845 0.638942 P\n0.074845 0.925155 0.138942 P\n0.845271 0.154729 0.207710 P\n0.154729 0.845271 0.707710 P\n0.817623 0.182377 0.879188 P\n0.606204 0.700203 0.478847 P\n",
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"formula_full": "La8 Si16 P48",
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{
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"structure_string": "Zr2 Be1 Tc1\n1.0\n-4.969719 5.513148 8.205186\n4.969719 -5.513148 8.205186\n4.969719 5.513148 -8.205186\nZr Be Tc\n2 1 1\ndirect\n0.000000 0.273303 0.273303 Zr\n0.000000 0.726697 0.726697 Zr\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
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{
"id": "mp-1245308",
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"structure_string": "Ti30 O60\n1.0\n10.413242 -0.355425 0.026005\n-0.353219 9.858630 -0.017389\n0.031337 -0.021555 10.437738\nTi O\n30 60\ndirect\n0.361683 0.282748 0.333542 Ti\n0.750977 0.046082 0.544103 Ti\n0.535275 0.740048 0.482854 Ti\n0.811979 0.776545 0.282575 Ti\n0.333398 0.493257 0.114189 Ti\n0.559392 0.993351 0.219667 Ti\n0.036957 0.543708 0.280591 Ti\n0.581535 0.533288 0.911882 Ti\n0.794427 0.565956 0.634303 Ti\n0.581544 0.329365 0.624112 Ti\n0.297987 0.112183 0.110903 Ti\n0.019376 0.346560 0.536979 Ti\n0.132387 0.461206 0.831956 Ti\n0.242326 0.853129 0.711489 Ti\n0.995168 0.226343 0.063232 Ti\n0.427486 0.806717 0.948366 Ti\n0.805474 0.246416 0.336427 Ti\n0.255276 0.209412 0.599921 Ti\n0.435298 0.107914 0.808311 Ti\n0.598725 0.468177 0.358232 Ti\n0.784293 0.947284 0.034627 Ti\n0.991062 0.814460 0.497787 Ti\n0.985316 0.099398 0.790898 Ti\n0.310075 0.942042 0.413650 Ti\n0.057482 0.789006 0.934129 Ti\n0.637096 0.263055 0.033572 Ti\n0.085289 0.913919 0.226960 Ti\n0.254907 0.563613 0.568026 Ti\n0.876873 0.523691 0.032173 Ti\n0.659808 0.803563 0.744185 Ti\n0.079539 0.967572 0.848045 O\n0.020704 0.741575 0.326485 O\n0.682271 0.852849 0.183414 O\n0.687533 0.093971 0.371663 O\n0.258508 0.805839 0.892948 O\n0.411815 0.266737 0.694735 O\n0.677398 0.098496 0.111126 O\n0.252629 0.459747 0.946884 O\n0.719077 0.599361 0.994856 O\n0.454519 0.155132 0.222551 O\n0.457192 0.923431 0.793646 O\n0.196337 0.395284 0.659397 O\n0.642326 0.445218 0.762776 O\n0.215435 0.303869 0.439314 O\n0.645813 0.663494 0.357224 O\n0.109786 0.090372 0.114099 O\n0.933604 0.435665 0.656070 O\n0.898197 0.818959 0.975416 O\n0.841031 0.890966 0.440519 O\n0.677062 0.895429 0.907297 O\n0.493170 0.334538 0.456664 O\n0.350042 0.115057 0.458597 O\n0.120431 0.944015 0.416806 O\n0.115024 0.795271 0.097408 O\n0.647113 0.170609 0.629287 O\n0.011850 0.587507 0.910273 O\n0.480335 0.885017 0.359774 O\n0.076614 0.175955 0.636555 O\n0.271204 0.290374 0.168164 O\n0.523214 0.688486 0.830464 O\n0.000926 0.418992 0.119745 O\n0.890709 0.098480 0.960265 O\n0.048040 0.285707 0.879177 O\n0.216409 0.631385 0.725370 O\n0.077247 0.823809 0.650351 O\n0.883975 0.650672 0.509448 O\n0.792294 0.351393 0.994017 O\n0.901217 0.187544 0.209036 O\n0.323707 0.129085 0.939928 O\n0.907347 0.920202 0.195496 O\n0.689002 0.363192 0.251333 O\n0.278590 0.041245 0.685774 O\n0.872646 0.611532 0.197128 O\n0.703314 0.431873 0.510225 O\n0.951921 0.397084 0.369938 O\n0.583181 0.177168 0.887448 O\n0.853342 0.017632 0.692190 O\n0.454688 0.936248 0.078120 O\n0.804871 0.709507 0.753581 O\n0.440057 0.454724 0.263160 O\n0.317914 0.808319 0.548218 O\n0.627171 0.657328 0.608719 O\n0.118816 0.553443 0.463888 O\n0.427097 0.645563 0.050977 O\n0.510942 0.394472 0.019369 O\n0.622824 0.900681 0.588121 O\n0.879782 0.200654 0.497297 O\n0.270521 0.963612 0.236026 O\n0.417688 0.590609 0.489552 O\n0.201976 0.556041 0.209257 O\n",
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},
{
"id": "mp-22526",
"created_at": "2022-09-04T14:47:19.923101Z",
"structure_string": "Li1 Co1 O2\n1.0\n4.786091 -1.421449 0.000000\n4.786091 1.421449 0.000000\n4.363926 0.000000 2.425558\nLi Co O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.760413 0.760413 0.760413 O\n0.239587 0.239587 0.239587 O\n",
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{
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"structure_string": "Ca1 Pr1 Nb1 V1 O6\n1.0\n-0.000000 -4.016401 -4.016401\n4.016401 -0.000000 -4.016401\n4.016401 -4.016401 -0.000000\nCa Pr Nb V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.752078 0.247922 0.247922 O\n0.247922 0.752078 0.752078 O\n0.752078 0.247922 0.752078 O\n0.247922 0.752078 0.247922 O\n0.752078 0.752078 0.247922 O\n0.247922 0.247922 0.752078 O\n",
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{
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"structure_string": "K6 Li2 Mn8 Mo12 O48\n1.0\n7.975615 -7.401076 0.000000\n7.975615 7.401076 0.000000\n1.107689 0.000000 10.824019\nK Li Mn Mo O\n6 2 8 12 48\ndirect\n0.698820 0.200678 0.434910 K\n0.700678 0.198820 0.934910 K\n0.200678 0.434910 0.698820 K\n0.434910 0.698820 0.200678 K\n0.934910 0.700678 0.198820 K\n0.198820 0.934910 0.700678 K\n0.249139 0.249139 0.249139 Li\n0.749139 0.749139 0.749139 Li\n0.003118 0.003118 0.003118 Mn\n0.462918 0.035176 0.250072 Mn\n0.035176 0.250072 0.462918 Mn\n0.250072 0.462918 0.035176 Mn\n0.503118 0.503118 0.503118 Mn\n0.750072 0.535176 0.962918 Mn\n0.962918 0.750072 0.535176 Mn\n0.535176 0.962918 0.750072 Mn\n0.851137 0.037982 0.687509 Mo\n0.312433 0.149355 0.959996 Mo\n0.351137 0.187509 0.537982 Mo\n0.959996 0.312433 0.149355 Mo\n0.537982 0.351137 0.187509 Mo\n0.812433 0.459996 0.649355 Mo\n0.187509 0.537982 0.351137 Mo\n0.459996 0.649355 0.812433 Mo\n0.037982 0.687509 0.851137 Mo\n0.649355 0.812433 0.459996 Mo\n0.687509 0.851137 0.037982 Mo\n0.149355 0.959996 0.312433 Mo\n0.415895 0.050512 0.618443 O\n0.330559 0.124113 0.123584 O\n0.124113 0.123584 0.330559 O\n0.177258 0.077037 0.922522 O\n0.450619 0.084495 0.881567 O\n0.688381 0.086339 0.696165 O\n0.919905 0.073954 0.824666 O\n0.379700 0.170568 0.374720 O\n0.915895 0.118443 0.550512 O\n0.586339 0.188381 0.196165 O\n0.188381 0.196165 0.586339 O\n0.922522 0.177258 0.077037 O\n0.123584 0.330559 0.124113 O\n0.419905 0.324666 0.573954 O\n0.913939 0.301553 0.312562 O\n0.301553 0.312562 0.913939 O\n0.170568 0.374720 0.379700 O\n0.374720 0.379700 0.170568 O\n0.618443 0.415895 0.050512 O\n0.573954 0.419905 0.324666 O\n0.950619 0.381567 0.584495 O\n0.677258 0.422522 0.577037 O\n0.881567 0.450619 0.084495 O\n0.801553 0.413939 0.812562 O\n0.196165 0.586339 0.188381 O\n0.118443 0.550512 0.915895 O\n0.324666 0.573954 0.419905 O\n0.050512 0.618443 0.415895 O\n0.422522 0.577037 0.677258 O\n0.381567 0.584495 0.950619 O\n0.623584 0.624113 0.830559 O\n0.830559 0.623584 0.624113 O\n0.696165 0.688381 0.086339 O\n0.086339 0.696165 0.688381 O\n0.577037 0.677258 0.422522 O\n0.874720 0.670568 0.879700 O\n0.073954 0.824666 0.919905 O\n0.812562 0.801553 0.413939 O\n0.413939 0.812562 0.801553 O\n0.084495 0.881567 0.450619 O\n0.624113 0.830559 0.623584 O\n0.077037 0.922522 0.177258 O\n0.312562 0.913939 0.301553 O\n0.550512 0.915895 0.118443 O\n0.824666 0.919905 0.073954 O\n0.879700 0.874720 0.670568 O\n0.670568 0.879700 0.874720 O\n0.584495 0.950619 0.381567 O\n",
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{
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{
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},
{
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"structure_string": "Pr2 N2 O10\n1.0\n0.000000 -3.810408 0.000000\n-6.671423 0.000000 0.695962\n-0.403648 0.000000 -8.142147\nPr N O\n2 2 10\ndirect\n0.257167 0.245639 0.381514 Pr\n0.757167 0.754361 0.618486 Pr\n0.636499 0.270627 0.060030 N\n0.136499 0.729373 0.939970 N\n0.745792 0.407212 0.542294 O\n0.245792 0.592788 0.457706 O\n0.253163 0.005401 0.591055 O\n0.753163 0.994599 0.408945 O\n0.758398 0.360076 0.196180 O\n0.258398 0.639924 0.803820 O\n0.761382 0.306289 0.927107 O\n0.261382 0.693711 0.072893 O\n0.382199 0.150914 0.079452 O\n0.882199 0.849086 0.920548 O\n",
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{
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"structure_string": "Be1 Ge1 Ir2\n1.0\n-4.526279 5.027911 7.108587\n4.526279 -5.027911 7.108587\n4.526279 5.027911 -7.108587\nBe Ge Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ge\n0.000000 0.245407 0.245407 Ir\n0.000000 0.754593 0.754593 Ir\n",
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{
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.700823 -2.945911 0.000000\n1.700823 2.945911 0.000000\n0.000000 0.000000 39.823759\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.705922 Te\n0.333333 0.666667 0.421467 Te\n0.333333 0.666667 0.515947 Te\n0.000000 0.000000 0.611439 Te\n0.000000 0.000000 0.094043 Mo\n0.333333 0.666667 0.281457 Mo\n0.000000 0.000000 0.468687 W\n0.333333 0.666667 0.658702 W\n0.000000 0.000000 0.322829 Se\n0.000000 0.000000 0.240148 Se\n0.333333 0.666667 0.056320 S\n0.333333 0.666667 0.131787 S\n",
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{
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]
}