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{
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{
"id": "mp-1047807",
"created_at": "2022-09-04T14:44:18.207438Z",
"structure_string": "Cu8 W8 O32\n1.0\n9.034141 0.000000 0.000000\n0.000000 6.819776 0.000000\n0.000000 0.104443 12.127679\nCu W O\n8 8 32\ndirect\n0.114114 0.820681 0.891948 Cu\n0.040806 0.373983 0.609416 Cu\n0.959194 0.626017 0.390584 Cu\n0.885886 0.179319 0.108052 Cu\n0.385886 0.820681 0.391948 Cu\n0.459194 0.373983 0.109416 Cu\n0.614114 0.179319 0.608052 Cu\n0.540806 0.626017 0.890584 Cu\n0.441704 0.104767 0.877491 W\n0.058296 0.104767 0.377491 W\n0.101566 0.591964 0.138393 W\n0.941704 0.895233 0.622509 W\n0.898434 0.408036 0.861607 W\n0.601566 0.408036 0.361607 W\n0.398434 0.591964 0.638393 W\n0.558296 0.895233 0.122509 W\n0.254093 0.049591 0.376245 O\n0.989578 0.642598 0.582107 O\n0.633911 0.195997 0.451423 O\n0.133911 0.804003 0.048577 O\n0.245907 0.049591 0.876245 O\n0.745907 0.950409 0.623755 O\n0.066135 0.098759 0.570226 O\n0.926852 0.463548 0.113091 O\n0.573148 0.463548 0.613091 O\n0.889615 0.317689 0.719927 O\n0.389615 0.682311 0.780073 O\n0.073148 0.536452 0.886909 O\n0.933865 0.901241 0.429774 O\n0.505515 0.882440 0.265932 O\n0.253792 0.416325 0.619517 O\n0.246208 0.416325 0.119517 O\n0.005515 0.117560 0.234068 O\n0.426852 0.536452 0.386909 O\n0.494485 0.117560 0.734068 O\n0.366089 0.804003 0.548577 O\n0.510422 0.642598 0.082107 O\n0.110385 0.682311 0.280073 O\n0.754093 0.950409 0.123755 O\n0.433865 0.098759 0.070226 O\n0.866089 0.195997 0.951423 O\n0.753792 0.583675 0.880483 O\n0.010422 0.357402 0.417893 O\n0.489578 0.357402 0.917893 O\n0.566135 0.901241 0.929774 O\n0.746208 0.583675 0.380483 O\n0.610385 0.317689 0.219927 O\n0.994485 0.882440 0.765932 O\n",
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"formula_full": "Cu8 W8 O32",
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},
{
"id": "mp-1667092",
"created_at": "2022-09-04T14:44:17.809769Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.883827 0.000188 -0.000558\n0.001313 29.054434 2.224958\n-0.000734 -0.215736 5.184123\nLi Mn Co O\n14 8 2 24\ndirect\n0.001245 0.082569 0.662889 Li\n0.999891 0.588282 0.684812 Li\n0.493193 0.326403 0.146071 Li\n0.499994 0.834023 0.167885 Li\n0.501805 0.083963 0.170041 Li\n0.500389 0.583106 0.164236 Li\n0.500590 0.004306 0.511437 Li\n0.500619 0.505402 0.492588 Li\n0.502162 0.162150 0.835643 Li\n0.500060 0.663398 0.822081 Li\n0.998440 0.249112 0.981276 Li\n0.999998 0.751323 0.986175 Li\n0.996995 0.415877 0.354685 Li\n0.999962 0.917672 0.351750 Li\n0.001201 0.503099 0.009387 Mn\n0.003633 0.163400 0.311202 Mn\n0.499708 0.250375 0.491236 Mn\n0.497796 0.417418 0.848049 Mn\n0.000511 0.004072 0.038644 Mn\n0.000070 0.662317 0.294648 Mn\n0.499857 0.748974 0.479145 Mn\n0.499857 0.917330 0.855443 Mn\n0.999980 0.833161 0.667395 Co\n0.997583 0.333371 0.671501 Co\n0.500381 0.461521 0.141358 O\n0.500442 0.964430 0.181638 O\n0.503333 0.203272 0.171978 O\n0.500013 0.701270 0.151224 O\n0.000790 0.039115 0.321484 O\n0.000567 0.535854 0.297028 O\n0.002494 0.128818 0.026688 O\n0.000083 0.626728 0.010718 O\n0.503657 0.129843 0.483086 O\n0.500109 0.628485 0.468562 O\n0.500502 0.037253 0.864847 O\n0.501352 0.536696 0.843096 O\n0.005258 0.209862 0.619239 O\n0.000017 0.707835 0.604603 O\n0.001446 0.456845 0.707884 O\n0.999942 0.957420 0.724775 O\n0.994749 0.381928 0.009615 O\n0.999859 0.878555 0.999190 O\n0.994533 0.288984 0.337658 O\n0.999895 0.786926 0.332295 O\n0.497581 0.291333 0.817778 O\n0.499803 0.794886 0.813550 O\n0.497480 0.380442 0.555034 O\n0.500174 0.870593 0.518455 O\n",
"nsites": 48,
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"elements": [
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"volume": 435.75133081938196,
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"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
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"spacegroup": 6
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{
"id": "mp-1979362",
"created_at": "2022-09-04T14:44:21.166764Z",
"structure_string": "Li14 Mn4 Co6 O24\n1.0\n2.911541 -0.043756 -0.272216\n0.187748 14.865592 -3.242043\n0.385562 0.160237 9.775652\nLi Mn Co O\n14 4 6 24\ndirect\n0.002869 0.081444 0.745511 Li\n0.002222 0.583783 0.250636 Li\n0.501231 0.332472 0.499824 Li\n0.499988 0.833610 0.999934 Li\n0.496373 0.082717 0.248196 Li\n0.500230 0.584162 0.750332 Li\n0.996162 0.428651 0.762522 Li\n0.998910 0.924618 0.258192 Li\n0.002696 0.240961 0.240896 Li\n0.999851 0.741236 0.740525 Li\n0.475438 0.166501 0.008430 Li\n0.480931 0.666441 0.508425 Li\n0.521552 0.501269 0.993030 Li\n0.514530 0.999586 0.490653 Li\n0.983950 0.502900 0.507028 Mn\n0.007558 0.160381 0.491828 Mn\n0.981784 0.002922 0.004719 Mn\n0.018141 0.664603 0.994559 Mn\n0.999913 0.832713 0.499868 Co\n0.516853 0.254205 0.750394 Co\n0.484031 0.414492 0.252615 Co\n0.009455 0.335561 0.001949 Co\n0.520484 0.752883 0.249313 Co\n0.479928 0.913339 0.750371 Co\n0.504155 0.463015 0.610170 O\n0.502584 0.963005 0.107684 O\n0.486788 0.202240 0.390389 O\n0.496936 0.704363 0.891418 O\n0.005601 0.218675 0.870884 O\n0.979435 0.717389 0.371038 O\n0.023870 0.450219 0.131929 O\n0.019734 0.947816 0.628451 O\n0.999683 0.048273 0.384841 O\n0.006730 0.551401 0.889523 O\n0.992074 0.116542 0.109986 O\n0.994889 0.616528 0.611766 O\n0.473060 0.299031 0.123986 O\n0.466254 0.797418 0.623365 O\n0.544691 0.373009 0.881722 O\n0.533492 0.868094 0.376562 O\n0.525827 0.129700 0.613581 O\n0.535569 0.635426 0.118673 O\n0.464466 0.031732 0.880605 O\n0.466767 0.532024 0.383138 O\n0.954535 0.382583 0.374912 O\n0.951293 0.882524 0.873311 O\n0.026889 0.282877 0.625621 O\n0.049597 0.784669 0.126697 O\n",
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{
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"structure_string": "Tl4 V8 Sb4 O32\n1.0\n5.664826 0.000000 0.000000\n0.000000 8.827489 0.000000\n0.000000 0.000000 14.934646\nTl V Sb O\n4 8 4 32\ndirect\n0.750000 0.058575 0.385634 Tl\n0.250000 0.558575 0.114366 Tl\n0.250000 0.941425 0.614366 Tl\n0.750000 0.441425 0.885634 Tl\n0.750000 0.009070 0.782375 V\n0.750000 0.795973 0.025672 V\n0.250000 0.204027 0.974328 V\n0.250000 0.990930 0.217625 V\n0.250000 0.295973 0.474328 V\n0.250000 0.509070 0.717625 V\n0.750000 0.490930 0.282375 V\n0.750000 0.704027 0.525672 V\n0.750000 0.181306 0.121751 Sb\n0.750000 0.318694 0.621751 Sb\n0.250000 0.818694 0.878249 Sb\n0.250000 0.681306 0.378249 Sb\n0.995565 0.262698 0.038540 O\n0.750000 0.808772 0.616622 O\n0.009587 0.606973 0.290328 O\n0.509587 0.106973 0.209672 O\n0.995565 0.237302 0.538540 O\n0.490413 0.893027 0.790328 O\n0.504435 0.262698 0.038540 O\n0.004435 0.737302 0.961460 O\n0.250000 0.011134 0.948259 O\n0.750000 0.115110 0.680453 O\n0.504435 0.237302 0.538540 O\n0.750000 0.126366 0.866780 O\n0.750000 0.373634 0.366780 O\n0.004435 0.762698 0.461460 O\n0.250000 0.308772 0.883378 O\n0.250000 0.873634 0.133220 O\n0.990413 0.106973 0.209672 O\n0.009587 0.893027 0.790328 O\n0.750000 0.384890 0.180453 O\n0.990413 0.393027 0.709672 O\n0.250000 0.626366 0.633220 O\n0.495565 0.762698 0.461460 O\n0.750000 0.691228 0.116622 O\n0.250000 0.488866 0.448259 O\n0.750000 0.511134 0.551741 O\n0.250000 0.615110 0.819547 O\n0.750000 0.988866 0.051741 O\n0.490413 0.606973 0.290328 O\n0.250000 0.884890 0.319547 O\n0.250000 0.191228 0.383378 O\n0.509587 0.393027 0.709672 O\n0.495565 0.737302 0.961460 O\n",
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{
"id": "mp-1200177",
"created_at": "2022-09-04T14:44:17.884679Z",
"structure_string": "Cu16 Sn8 Se24\n1.0\n6.121956 3.533997 0.000000\n-6.121956 3.533997 0.000000\n0.000000 2.289752 26.731366\nCu Sn Se\n16 8 24\ndirect\n0.682614 0.854926 0.985464 Cu\n0.854926 0.682614 0.485464 Cu\n0.025189 0.517087 0.985345 Cu\n0.517087 0.025189 0.485345 Cu\n0.373615 0.883434 0.860469 Cu\n0.883434 0.373615 0.360469 Cu\n0.062440 0.225398 0.859952 Cu\n0.225398 0.062440 0.359952 Cu\n0.100145 0.918641 0.735459 Cu\n0.918641 0.100145 0.235459 Cu\n0.419657 0.583551 0.735324 Cu\n0.583551 0.419657 0.235324 Cu\n0.126608 0.635126 0.609769 Cu\n0.635126 0.126608 0.109769 Cu\n0.472485 0.292676 0.610373 Cu\n0.292676 0.472485 0.110373 Cu\n0.330434 0.166356 0.980769 Sn\n0.166356 0.330434 0.480769 Sn\n0.717017 0.569593 0.856325 Sn\n0.569593 0.717017 0.356325 Sn\n0.758572 0.273904 0.730758 Sn\n0.273904 0.758572 0.230758 Sn\n0.785274 0.951818 0.606268 Sn\n0.951818 0.785274 0.106268 Sn\n0.164425 0.329112 0.581352 Se\n0.329112 0.164425 0.081352 Se\n0.710629 0.543708 0.956841 Se\n0.543708 0.710629 0.456841 Se\n0.769433 0.912620 0.706845 Se\n0.912620 0.769433 0.206845 Se\n0.128565 0.624032 0.700090 Se\n0.624032 0.128565 0.200090 Se\n0.409297 0.266805 0.700860 Se\n0.266805 0.409297 0.200860 Se\n0.726766 0.208480 0.831325 Se\n0.208480 0.726766 0.331325 Se\n0.083281 0.922882 0.825715 Se\n0.922882 0.083281 0.325715 Se\n0.360686 0.835839 0.950756 Se\n0.835839 0.360686 0.450756 Se\n0.450487 0.972704 0.575502 Se\n0.972704 0.450487 0.075502 Se\n0.371623 0.569531 0.825652 Se\n0.569531 0.371623 0.325652 Se\n0.998746 0.193410 0.950427 Se\n0.193410 0.998746 0.450427 Se\n0.806917 0.617864 0.575731 Se\n0.617864 0.806917 0.075731 Se\n",
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{
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{
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"structure_string": "Li8 Mn4 Si4 C4 O28\n1.0\n0.234335 6.317859 5.057314\n0.234441 -6.318431 5.058044\n8.196661 0.000222 -4.863615\nLi Mn Si C O\n8 4 4 4 28\ndirect\n0.474030 0.978352 0.235885 Li\n0.973939 0.478340 0.235816 Li\n0.228333 0.223879 0.235855 Li\n0.728315 0.723905 0.235854 Li\n0.026001 0.521595 0.764108 Li\n0.526105 0.021664 0.764159 Li\n0.271685 0.276091 0.764143 Li\n0.771683 0.776073 0.764153 Li\n0.445278 0.695402 0.340139 Mn\n0.054702 0.804631 0.659922 Mn\n0.945331 0.195507 0.340122 Mn\n0.554532 0.304462 0.659676 Mn\n0.696534 0.446545 0.424948 Si\n0.196454 0.946456 0.424923 Si\n0.803460 0.053469 0.575055 Si\n0.303518 0.553557 0.575101 Si\n0.768236 0.018252 0.055811 C\n0.268157 0.518156 0.055735 C\n0.731779 0.481741 0.944171 C\n0.231871 0.981831 0.944279 C\n0.322008 0.071972 0.090309 O\n0.821909 0.571885 0.090216 O\n0.178065 0.428025 0.909703 O\n0.678142 0.928095 0.909781 O\n0.914343 0.164421 0.114331 O\n0.414274 0.664315 0.114280 O\n0.585670 0.335593 0.885658 O\n0.085744 0.835691 0.885768 O\n0.726986 0.977003 0.168349 O\n0.226884 0.476892 0.168257 O\n0.773023 0.523016 0.831643 O\n0.273110 0.023079 0.831737 O\n0.653396 0.903460 0.399414 O\n0.153488 0.403587 0.399431 O\n0.846596 0.596526 0.600607 O\n0.346515 0.096443 0.600565 O\n0.549879 0.299483 0.457554 O\n0.049905 0.799504 0.457690 O\n0.950100 0.200510 0.542426 O\n0.450122 0.700518 0.542387 O\n0.593955 0.546892 0.318444 O\n0.094001 0.046951 0.318501 O\n0.796892 0.344135 0.318340 O\n0.296776 0.844025 0.318282 O\n0.703091 0.155903 0.681629 O\n0.203186 0.655966 0.681741 O\n0.906016 0.953129 0.681583 O\n0.405979 0.453072 0.681520 O\n",
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{
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}