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{
"id": "mp-1198941",
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"structure_string": "K4 Ni12 P12 O44\n1.0\n9.494954 0.000000 0.000000\n0.000000 9.988106 0.000000\n0.000000 5.098622 8.831813\nK Ni P O\n4 12 12 44\ndirect\n0.235432 0.417122 0.580995 K\n0.264568 0.417122 0.080995 K\n0.764568 0.582878 0.419005 K\n0.735432 0.582878 0.919005 K\n0.628214 0.262896 0.374921 Ni\n0.871786 0.262896 0.874921 Ni\n0.371786 0.737104 0.625079 Ni\n0.128214 0.737104 0.125079 Ni\n0.132054 0.095466 0.396491 Ni\n0.367946 0.095466 0.896491 Ni\n0.867946 0.904534 0.603509 Ni\n0.632054 0.904534 0.103509 Ni\n0.631446 0.085022 0.735898 Ni\n0.868554 0.085022 0.235898 Ni\n0.368554 0.914978 0.264102 Ni\n0.131446 0.914978 0.764102 Ni\n0.337642 0.103023 0.568879 P\n0.162358 0.103023 0.068879 P\n0.662358 0.896977 0.431121 P\n0.837642 0.896977 0.931121 P\n0.925511 0.228862 0.576827 P\n0.574489 0.228862 0.076827 P\n0.074489 0.771138 0.423173 P\n0.425511 0.771138 0.923173 P\n0.940605 0.400449 0.248279 P\n0.559395 0.400449 0.748279 P\n0.059395 0.599551 0.751721 P\n0.440605 0.599551 0.251721 P\n0.270843 0.947977 0.584090 O\n0.229157 0.947977 0.084090 O\n0.729157 0.052023 0.415910 O\n0.770843 0.052023 0.915910 O\n0.500005 0.109766 0.565190 O\n0.999995 0.109766 0.065190 O\n0.499995 0.890234 0.434810 O\n0.000005 0.890234 0.934810 O\n0.271524 0.232671 0.423904 O\n0.228476 0.232671 0.923904 O\n0.728476 0.767329 0.576096 O\n0.771524 0.767329 0.076096 O\n0.275527 0.097829 0.714392 O\n0.224473 0.097829 0.214392 O\n0.724473 0.902171 0.285608 O\n0.775527 0.902171 0.785608 O\n0.978106 0.259483 0.698899 O\n0.521894 0.259483 0.198899 O\n0.021894 0.740517 0.301101 O\n0.478106 0.740517 0.801101 O\n0.995972 0.081539 0.584582 O\n0.504028 0.081539 0.084582 O\n0.004028 0.918461 0.415418 O\n0.495972 0.918461 0.915418 O\n0.763703 0.227985 0.563239 O\n0.736297 0.227985 0.063239 O\n0.236297 0.772015 0.436761 O\n0.263703 0.772015 0.936761 O\n0.979625 0.372244 0.419004 O\n0.520375 0.372244 0.919004 O\n0.020375 0.627756 0.580996 O\n0.479625 0.627756 0.080996 O\n0.024438 0.541803 0.141027 O\n0.475562 0.541803 0.641027 O\n0.975562 0.458197 0.858973 O\n0.524438 0.458197 0.358973 O\n0.781254 0.413292 0.233762 O\n0.718746 0.413292 0.733762 O\n0.218746 0.586708 0.766238 O\n0.281254 0.586708 0.266238 O\n0.991504 0.250836 0.250759 O\n0.508496 0.250836 0.750759 O\n0.008496 0.749164 0.749241 O\n0.491504 0.749164 0.249241 O\n",
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"formula_full": "K4 Ni12 P12 O44",
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"energy": -520.64485517,
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},
{
"id": "mp-1239142",
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"structure_string": "Mn2 In1 Cu1 Se4\n1.0\n-2.821510 2.821510 5.578386\n2.821510 -2.821510 5.578386\n2.821510 2.821510 -5.578386\nMn In Cu Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.918147 0.371756 0.000000 Se\n0.081853 0.081853 0.453609 Se\n0.628244 0.628244 0.546391 Se\n0.371756 0.918147 0.000000 Se\n",
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"formula_full": "Mn2 In1 Cu1 Se4",
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{
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"structure_string": "Ca8 Cr8 Si16 O48\n1.0\n5.460759 0.000000 0.000000\n0.000000 9.701251 0.000000\n0.000000 0.000000 19.286021\nCa Cr Si O\n8 8 16 48\ndirect\n0.617788 0.146430 0.376317 Ca\n0.382212 0.853570 0.623683 Ca\n0.617788 0.646430 0.123683 Ca\n0.117788 0.853570 0.123683 Ca\n0.882212 0.146430 0.876317 Ca\n0.382212 0.353570 0.876317 Ca\n0.117788 0.353570 0.376317 Ca\n0.882212 0.646430 0.623683 Ca\n0.373968 0.975104 0.874843 Cr\n0.626032 0.024896 0.125157 Cr\n0.873968 0.024896 0.625157 Cr\n0.126032 0.975104 0.374843 Cr\n0.373968 0.475104 0.625157 Cr\n0.626032 0.524896 0.374843 Cr\n0.873968 0.524896 0.874843 Cr\n0.126032 0.475104 0.125157 Cr\n0.564817 0.667633 0.775220 Si\n0.746547 0.834660 0.477734 Si\n0.753453 0.834660 0.977734 Si\n0.935183 0.167633 0.224780 Si\n0.064817 0.332367 0.724780 Si\n0.435183 0.832367 0.275220 Si\n0.246547 0.665340 0.477734 Si\n0.746547 0.334660 0.022266 Si\n0.753453 0.334660 0.522266 Si\n0.935183 0.667633 0.275220 Si\n0.435183 0.332367 0.224780 Si\n0.564817 0.167633 0.724780 Si\n0.253453 0.165340 0.522266 Si\n0.064817 0.832367 0.775220 Si\n0.253453 0.665340 0.977734 Si\n0.246547 0.165340 0.022266 Si\n0.932336 0.520597 0.314342 O\n0.312573 0.032715 0.068863 O\n0.067664 0.479403 0.685658 O\n0.748605 0.355113 0.937720 O\n0.248605 0.144887 0.937720 O\n0.960486 0.216320 0.042055 O\n0.954777 0.663817 0.191549 O\n0.045223 0.836183 0.691549 O\n0.748605 0.855113 0.562280 O\n0.954777 0.163817 0.308451 O\n0.432336 0.479403 0.185658 O\n0.751395 0.355113 0.437720 O\n0.687427 0.967285 0.931137 O\n0.454777 0.836183 0.191549 O\n0.567664 0.020597 0.685658 O\n0.312573 0.532715 0.431137 O\n0.432336 0.979403 0.314342 O\n0.160439 0.771391 0.304377 O\n0.339561 0.771391 0.804377 O\n0.539514 0.716320 0.957945 O\n0.751395 0.855113 0.062280 O\n0.545223 0.663817 0.691549 O\n0.812573 0.467285 0.068863 O\n0.160439 0.271391 0.195623 O\n0.251395 0.144887 0.437720 O\n0.545223 0.163817 0.808451 O\n0.687427 0.467285 0.568863 O\n0.248605 0.644887 0.562280 O\n0.187427 0.532715 0.931137 O\n0.660439 0.728609 0.304377 O\n0.067664 0.979403 0.814342 O\n0.839561 0.728609 0.804377 O\n0.839561 0.228609 0.695623 O\n0.812573 0.967285 0.431137 O\n0.251395 0.644887 0.062280 O\n0.187427 0.032715 0.568863 O\n0.339561 0.271391 0.695623 O\n0.039514 0.783680 0.957945 O\n0.460486 0.783680 0.457945 O\n0.660439 0.228609 0.195623 O\n0.460486 0.283680 0.042055 O\n0.539514 0.216320 0.542055 O\n0.039514 0.283680 0.542055 O\n0.454777 0.336183 0.308451 O\n0.567664 0.520597 0.814342 O\n0.960486 0.716320 0.457945 O\n0.045223 0.336183 0.808451 O\n0.932336 0.020597 0.185658 O\n",
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],
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"formula_full": "Ca8 Cr8 Si16 O48",
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{
"id": "mp-1233420",
"created_at": "2022-09-04T14:47:22.701820Z",
"structure_string": "Ca1 Mn6 O4 F8\n1.0\n-5.393708 -0.426355 -0.165891\n0.235142 4.373279 -6.252990\n-0.569108 -5.126837 -3.690004\nCa Mn O F\n1 6 4 8\ndirect\n0.746660 0.552847 0.302487 Ca\n0.559629 0.996853 0.537777 Mn\n0.393668 0.730157 0.027139 Mn\n0.478166 0.324245 0.815401 Mn\n0.955733 0.690096 0.715448 Mn\n0.252244 0.265334 0.295441 Mn\n0.884801 0.006441 0.040302 Mn\n0.774079 0.749804 0.022432 O\n0.715933 0.785673 0.533641 O\n0.548539 0.379985 0.087555 O\n0.408229 0.225092 0.552971 O\n0.797573 0.441842 0.642674 F\n0.889737 0.123286 0.344685 F\n0.679453 0.086660 0.809818 F\n0.267280 0.552932 0.803755 F\n0.403213 0.957371 0.264444 F\n0.171278 0.577066 0.295810 F\n0.144398 0.219298 0.983565 F\n0.234939 0.893348 0.799655 F\n",
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{
"id": "mp-756924",
"created_at": "2022-09-04T14:47:29.456798Z",
"structure_string": "Li12 V8 P12 O48\n1.0\n6.659386 7.214472 0.000000\n-6.659386 7.214472 0.000000\n0.000000 0.852614 9.753792\nLi V P O\n12 8 12 48\ndirect\n0.985433 0.504842 0.240439 Li\n0.620854 0.750025 0.805545 Li\n0.781608 0.563544 0.467381 Li\n0.765296 0.734023 0.179757 Li\n0.297443 0.924373 0.975432 Li\n0.002491 0.256417 0.387599 Li\n0.743583 0.997509 0.612401 Li\n0.075627 0.702557 0.024568 Li\n0.265977 0.234704 0.820243 Li\n0.436456 0.218392 0.532619 Li\n0.249975 0.379146 0.194455 Li\n0.495158 0.014567 0.759561 Li\n0.970496 0.249136 0.782445 V\n0.253467 0.966166 0.280920 V\n0.251507 0.748493 0.500000 V\n0.468568 0.531432 0.500000 V\n0.751252 0.248748 0.000000 V\n0.531807 0.468193 0.000000 V\n0.033834 0.746533 0.719080 V\n0.750864 0.029504 0.217555 V\n0.825923 0.945475 0.902885 P\n0.949730 0.821443 0.404857 P\n0.843801 0.552416 0.928607 P\n0.557737 0.837838 0.429230 P\n0.348191 0.681438 0.803490 P\n0.659191 0.318993 0.697779 P\n0.681007 0.340809 0.302221 P\n0.318562 0.651809 0.196510 P\n0.162162 0.442263 0.570770 P\n0.447584 0.156199 0.071393 P\n0.178557 0.050270 0.595143 P\n0.054525 0.174077 0.097115 P\n0.967919 0.872360 0.868697 O\n0.888388 0.960405 0.344357 O\n0.918555 0.820741 0.563172 O\n0.791610 0.908291 0.058205 O\n0.714961 0.911555 0.810594 O\n0.896946 0.697619 0.342512 O\n0.909642 0.612371 0.792503 O\n0.596861 0.907328 0.552587 O\n0.629394 0.880345 0.289652 O\n0.902214 0.602593 0.056851 O\n0.876890 0.391457 0.924881 O\n0.686930 0.590094 0.927345 O\n0.421958 0.803119 0.844575 O\n0.593524 0.677762 0.444877 O\n0.396505 0.870469 0.417163 O\n0.806470 0.404557 0.348833 O\n0.816829 0.312120 0.668842 O\n0.296942 0.808064 0.155684 O\n0.606127 0.457492 0.630286 O\n0.377652 0.671218 0.642396 O\n0.176020 0.889523 0.629902 O\n0.836218 0.105932 0.875603 O\n0.458661 0.597991 0.133871 O\n0.621409 0.326684 0.859512 O\n0.673316 0.378591 0.140488 O\n0.402009 0.541339 0.866129 O\n0.894068 0.163782 0.124397 O\n0.110477 0.823980 0.370098 O\n0.328782 0.622348 0.357604 O\n0.542508 0.393873 0.369714 O\n0.191936 0.703058 0.844316 O\n0.687880 0.183171 0.331158 O\n0.595443 0.193530 0.651167 O\n0.129531 0.603495 0.582837 O\n0.322238 0.406476 0.555123 O\n0.196881 0.578042 0.155425 O\n0.409906 0.313070 0.072655 O\n0.608543 0.123110 0.075119 O\n0.397407 0.097786 0.943149 O\n0.119655 0.370606 0.710348 O\n0.092672 0.403139 0.447413 O\n0.387629 0.090358 0.207497 O\n0.302381 0.103054 0.657488 O\n0.088445 0.285039 0.189406 O\n0.091709 0.208390 0.941795 O\n0.179259 0.081445 0.436828 O\n0.039595 0.111612 0.655643 O\n0.127640 0.032081 0.131303 O\n",
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"volume": 937.2214651126225,
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"formula_full": "Li12 V8 P12 O48",
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{
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"created_at": "2022-09-04T14:47:29.475600Z",
"structure_string": "Rb2 Li14 Pr3 O14\n1.0\n-3.747562 4.189660 6.849150\n3.747562 -4.189660 6.849150\n3.747562 4.189660 -6.849150\nRb Li Pr O\n2 14 3 14\ndirect\n0.500000 0.762244 0.262244 Rb\n0.500000 0.237756 0.737756 Rb\n0.713036 0.145249 0.123781 Li\n0.978532 0.854751 0.567787 Li\n0.021468 0.589254 0.876219 Li\n0.286964 0.410746 0.432213 Li\n0.021468 0.145249 0.432213 Li\n0.158676 0.500000 0.658676 Li\n0.841324 0.500000 0.341324 Li\n0.414257 0.768581 0.645675 Li\n0.585743 0.231419 0.354325 Li\n0.877094 0.231419 0.645675 Li\n0.122906 0.768581 0.354325 Li\n0.713036 0.589254 0.567787 Li\n0.286964 0.854751 0.876219 Li\n0.978532 0.410746 0.123781 Li\n0.000000 0.000000 0.000000 Pr\n0.272091 0.272091 0.000000 Pr\n0.727909 0.727909 0.000000 Pr\n0.058043 0.867776 0.190268 O\n0.401664 0.624143 0.777521 O\n0.846623 0.624143 0.222479 O\n0.598336 0.375857 0.222479 O\n0.153377 0.375857 0.777521 O\n0.758939 0.063997 0.305058 O\n0.241061 0.546119 0.305058 O\n0.241061 0.936003 0.694942 O\n0.758939 0.453881 0.694942 O\n0.000000 0.693823 0.693823 O\n0.000000 0.306177 0.306177 O\n0.677508 0.867776 0.809732 O\n0.322492 0.132224 0.190268 O\n0.941957 0.132224 0.809732 O\n",
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],
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"volume": 430.15430724833766,
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"formula_full": "Rb2 Li14 Pr3 O14",
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{
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{
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]
}