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{
"id": "mp-1193149",
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"structure_string": "Cr3 W20 C6\n1.0\n0.000000 5.799824 5.799824\n5.799824 0.000000 5.799824\n5.799824 5.799824 0.000000\nCr W C\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cr\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.335243 W\n0.664757 0.000000 0.335243 W\n0.000000 0.664757 0.335243 W\n0.664757 0.335243 0.000000 W\n0.000000 0.335243 0.000000 W\n0.000000 0.335243 0.664757 W\n0.335243 0.664757 0.000000 W\n0.335243 0.000000 0.664757 W\n0.335243 0.000000 0.000000 W\n0.000000 0.000000 0.664757 W\n0.000000 0.664757 0.000000 W\n0.664757 0.000000 0.000000 W\n0.619224 0.619224 0.142329 W\n0.619224 0.142329 0.619224 W\n0.142329 0.619224 0.619224 W\n0.619224 0.619224 0.619224 W\n0.380776 0.380776 0.857671 W\n0.380776 0.857671 0.380776 W\n0.857671 0.380776 0.380776 W\n0.380776 0.380776 0.380776 W\n0.722074 0.722074 0.277926 C\n0.277926 0.722074 0.277926 C\n0.722074 0.277926 0.277926 C\n0.277926 0.277926 0.722074 C\n0.722074 0.277926 0.722074 C\n0.277926 0.722074 0.722074 C\n",
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{
"id": "mp-1203960",
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"structure_string": "U4 H24 Br8 O20\n1.0\n6.708283 0.000000 0.000000\n0.000000 9.936669 0.000000\n0.000000 0.311678 12.884425\nU H Br O\n4 24 8 20\ndirect\n0.084550 0.750789 0.920417 U\n0.584550 0.249211 0.579583 U\n0.915450 0.249211 0.079583 U\n0.415450 0.750789 0.420417 U\n0.747932 0.956824 0.968469 H\n0.247932 0.043176 0.531531 H\n0.252068 0.043176 0.031531 H\n0.752068 0.956824 0.468469 H\n0.711917 0.915787 0.853064 H\n0.211917 0.084213 0.646936 H\n0.288083 0.084213 0.146936 H\n0.788083 0.915787 0.353064 H\n0.222923 0.546964 0.083829 H\n0.722923 0.453036 0.416171 H\n0.777077 0.453036 0.916171 H\n0.277077 0.546964 0.583829 H\n0.351606 0.680608 0.107956 H\n0.851606 0.319392 0.392044 H\n0.648394 0.319392 0.892044 H\n0.148394 0.680608 0.607956 H\n0.993888 0.743206 0.158428 H\n0.493888 0.256794 0.341572 H\n0.006112 0.256794 0.841572 H\n0.506112 0.743206 0.658428 H\n0.788855 0.796673 0.114872 H\n0.288855 0.203327 0.385128 H\n0.211145 0.203327 0.885128 H\n0.711145 0.796673 0.614872 H\n0.405203 0.636625 0.810195 Br\n0.905203 0.363375 0.689805 Br\n0.594797 0.363375 0.189805 Br\n0.094797 0.636625 0.310195 Br\n0.004130 0.849089 0.707077 Br\n0.504130 0.150911 0.792923 Br\n0.995870 0.150911 0.292923 Br\n0.495870 0.849089 0.207077 Br\n0.764208 0.882186 0.919743 O\n0.264208 0.117814 0.580257 O\n0.235792 0.117814 0.080257 O\n0.735792 0.882186 0.419743 O\n0.938341 0.600344 0.903273 O\n0.438341 0.399656 0.596727 O\n0.061659 0.399656 0.096727 O\n0.561659 0.600344 0.403273 O\n0.228309 0.900934 0.946683 O\n0.728309 0.099066 0.553317 O\n0.771691 0.099066 0.053317 O\n0.271691 0.900934 0.446683 O\n0.269097 0.635221 0.055502 O\n0.769097 0.364779 0.444498 O\n0.730903 0.364779 0.944498 O\n0.230903 0.635221 0.555502 O\n0.929158 0.781616 0.095229 O\n0.429158 0.218384 0.404771 O\n0.070842 0.218384 0.904771 O\n0.570842 0.781616 0.595229 O\n",
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{
"id": "mp-1222086",
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"structure_string": "Mn4 Mo4 H8 Se4 O28\n1.0\n12.986000 0.000000 0.000000\n0.000000 6.610824 0.000000\n0.000000 0.016730 7.187140\nMn Mo H Se O\n4 4 8 4 28\ndirect\n0.396505 0.520453 0.500508 Mn\n0.896505 0.479547 0.499492 Mn\n0.669539 0.108433 0.993442 Mn\n0.169539 0.891567 0.006558 Mn\n0.658566 0.586738 0.247804 Mo\n0.660056 0.584141 0.747306 Mo\n0.158566 0.413262 0.752196 Mo\n0.160056 0.415859 0.252694 Mo\n0.431649 0.123303 0.380124 H\n0.434012 0.105840 0.593126 H\n0.931649 0.876697 0.619876 H\n0.934012 0.894160 0.406874 H\n0.463794 0.221365 0.910686 H\n0.963794 0.778635 0.089314 H\n0.439434 0.996081 0.967922 H\n0.939434 0.003919 0.032078 H\n0.710939 0.125924 0.494735 Se\n0.210939 0.874076 0.505265 Se\n0.883851 0.411551 0.997394 Se\n0.383851 0.588449 0.002606 Se\n0.833537 0.171427 0.004768 O\n0.333537 0.828573 0.995232 O\n0.665131 0.261243 0.299925 O\n0.666332 0.259223 0.690986 O\n0.165131 0.738757 0.700075 O\n0.166332 0.740777 0.309014 O\n0.719278 0.603923 0.495857 O\n0.219278 0.396077 0.504143 O\n0.827191 0.538995 0.186061 O\n0.825108 0.523973 0.803197 O\n0.327191 0.461005 0.813939 O\n0.325108 0.476027 0.196803 O\n0.527950 0.591356 0.314278 O\n0.528485 0.588959 0.684490 O\n0.027950 0.408644 0.685722 O\n0.028485 0.411041 0.315510 O\n0.675606 0.841706 0.177983 O\n0.681260 0.837821 0.813174 O\n0.175606 0.158294 0.822017 O\n0.181260 0.162179 0.186826 O\n0.640858 0.469580 0.997638 O\n0.140858 0.530420 0.002362 O\n0.839201 0.181382 0.493268 O\n0.339201 0.818618 0.506732 O\n0.446643 0.201684 0.491802 O\n0.946643 0.798316 0.508198 O\n0.496884 0.094186 0.946228 O\n0.996884 0.905814 0.053772 O\n",
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"formula_full": "Mn4 Mo4 H8 Se4 O28",
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{
"id": "mp-29128",
"created_at": "2022-09-04T14:42:25.627973Z",
"structure_string": "K8 Te16 O36\n1.0\n18.125412 0.000000 0.000000\n0.000000 7.744375 0.000000\n0.000000 2.387742 7.827068\nK Te O\n8 16 36\ndirect\n0.909671 0.871378 0.635483 K\n0.409671 0.128622 0.864517 K\n0.090329 0.128622 0.364517 K\n0.590329 0.871378 0.135483 K\n0.753223 0.158847 0.871204 K\n0.253223 0.841153 0.628796 K\n0.246777 0.841153 0.128796 K\n0.746777 0.158847 0.371204 K\n0.741305 0.623441 0.960025 Te\n0.241305 0.376559 0.539975 Te\n0.258695 0.376559 0.039975 Te\n0.758695 0.623441 0.460025 Te\n0.921655 0.351992 0.653492 Te\n0.421655 0.648008 0.846508 Te\n0.078345 0.648008 0.346508 Te\n0.578345 0.351992 0.153492 Te\n0.907974 0.821995 0.174797 Te\n0.407974 0.178005 0.325203 Te\n0.092026 0.178005 0.825203 Te\n0.592026 0.821995 0.674797 Te\n0.917913 0.398886 0.085563 Te\n0.417913 0.601114 0.414437 Te\n0.082087 0.601114 0.914437 Te\n0.582087 0.398886 0.585563 Te\n0.799136 0.801808 0.015161 O\n0.299136 0.198192 0.484839 O\n0.200864 0.198192 0.984839 O\n0.700864 0.801808 0.515161 O\n0.824415 0.557960 0.649869 O\n0.324415 0.442040 0.850131 O\n0.175585 0.442040 0.350131 O\n0.675585 0.557960 0.149869 O\n0.854248 0.202814 0.592420 O\n0.354248 0.797186 0.907580 O\n0.145752 0.797186 0.407580 O\n0.645752 0.202814 0.092420 O\n0.912571 0.562174 0.262042 O\n0.412571 0.437826 0.237958 O\n0.005639 0.163317 0.672638 O\n0.087429 0.437826 0.737958 O\n0.841172 0.871456 0.332050 O\n0.341172 0.128544 0.167950 O\n0.158828 0.128544 0.667950 O\n0.658828 0.871456 0.832050 O\n0.909553 0.259813 0.900919 O\n0.409553 0.740187 0.599081 O\n0.090447 0.740187 0.099081 O\n0.590447 0.259813 0.400919 O\n0.555272 0.612772 0.417074 O\n0.055272 0.387228 0.082926 O\n0.444728 0.387228 0.582926 O\n0.944728 0.612772 0.917074 O\n0.690816 0.412420 0.578084 O\n0.190816 0.587580 0.921916 O\n0.309184 0.587580 0.421916 O\n0.809184 0.412420 0.078084 O\n0.494361 0.163317 0.172638 O\n0.994361 0.836683 0.327362 O\n0.505639 0.836683 0.827362 O\n0.587429 0.562174 0.762042 O\n",
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{
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"structure_string": "Li2 Cr2 P6 H16 O26\n1.0\n-7.536085 0.000000 0.000000\n2.605763 8.273168 0.000000\n-0.095176 -2.209222 -9.424321\nLi Cr P H O\n2 2 6 16 26\ndirect\n0.288074 0.605650 0.691412 Li\n0.711926 0.394350 0.308588 Li\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.285104 0.276064 0.941491 P\n0.798154 0.642188 0.750571 P\n0.988014 0.000878 0.779710 P\n0.011986 0.999122 0.220290 P\n0.201846 0.357812 0.249429 P\n0.714896 0.723936 0.058509 P\n0.796754 0.184465 0.950665 H\n0.661233 0.294918 0.966618 H\n0.462708 0.089933 0.771900 H\n0.812680 0.316304 0.628350 H\n0.611748 0.994873 0.752844 H\n0.243450 0.135540 0.583355 H\n0.885394 0.172195 0.543152 H\n0.345659 0.245685 0.473122 H\n0.654341 0.754315 0.526878 H\n0.114606 0.827805 0.456848 H\n0.756550 0.864460 0.416645 H\n0.388252 0.005127 0.247156 H\n0.187320 0.683696 0.371650 H\n0.537292 0.910067 0.228100 H\n0.338767 0.705082 0.033382 H\n0.203246 0.815535 0.049335 H\n0.779298 0.289523 0.010246 O\n0.147637 0.086797 0.909293 O\n0.183093 0.384406 0.896240 O\n0.468034 0.277254 0.879909 O\n0.809185 0.029204 0.829669 O\n0.679044 0.681608 0.888659 O\n0.884935 0.508662 0.760314 O\n0.057278 0.046063 0.644581 O\n0.976306 0.809153 0.772339 O\n0.484935 0.987453 0.714098 O\n0.669530 0.621534 0.626185 O\n0.791552 0.229496 0.539315 O\n0.364891 0.179330 0.540194 O\n0.635109 0.820670 0.459806 O\n0.208448 0.770504 0.460685 O\n0.330470 0.378466 0.373815 O\n0.515065 0.012547 0.285902 O\n0.023694 0.190847 0.227661 O\n0.942722 0.953937 0.355419 O\n0.115065 0.491338 0.239686 O\n0.320956 0.318392 0.111341 O\n0.190815 0.970796 0.170331 O\n0.531966 0.722746 0.120091 O\n0.816907 0.615594 0.103760 O\n0.852363 0.913203 0.090707 O\n0.220702 0.710477 0.989754 O\n",
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"volume_molar": 6.804798358103054,
"formula_full": "Li2 Cr2 P6 H16 O26",
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{
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"structure_string": "Na8 Co4 P8 O28\n1.0\n6.530785 -0.008166 0.450386\n2.460433 8.282231 4.075213\n0.025032 0.006462 11.069177\nNa Co P O\n8 4 8 28\ndirect\n0.779708 0.148160 0.890403 Na\n0.602643 0.877051 0.650446 Na\n0.034858 0.813033 0.478191 Na\n0.844092 0.487984 0.946446 Na\n0.393515 0.506245 0.034060 Na\n0.967526 0.184195 0.522145 Na\n0.388738 0.124189 0.349243 Na\n0.173933 0.853730 0.096965 Na\n0.280702 0.104553 0.780955 Co\n0.719884 0.887638 0.223976 Co\n0.643092 0.499282 0.265653 Co\n0.363051 0.493281 0.740289 Co\n0.119534 0.544915 0.315787 P\n0.882782 0.445217 0.690083 P\n0.921599 0.178174 0.209053 P\n0.423170 0.296686 0.543455 P\n0.707122 0.805871 0.962810 P\n0.079428 0.816530 0.791629 P\n0.579306 0.696945 0.461338 P\n0.298757 0.183448 0.041165 P\n0.226818 0.101348 0.966908 O\n0.721687 0.321171 0.185637 O\n0.084456 0.270417 0.098319 O\n0.307715 0.538005 0.224103 O\n0.967629 0.455412 0.305445 O\n0.016182 0.718011 0.299682 O\n0.282811 0.679054 0.808759 O\n0.358394 0.144447 0.562524 O\n0.036362 0.097133 0.346815 O\n0.783085 0.545077 0.537490 O\n0.621117 0.662969 0.049487 O\n0.885982 0.059961 0.158676 O\n0.443881 0.291752 0.684090 O\n0.614334 0.317787 0.458080 O\n0.958608 0.897916 0.655652 O\n0.034826 0.528501 0.711976 O\n0.777807 0.886154 0.039043 O\n0.639241 0.851181 0.441320 O\n0.387867 0.322515 0.949927 O\n0.388730 0.672883 0.546602 O\n0.562912 0.698520 0.321859 O\n0.924010 0.720776 0.905433 O\n0.438004 0.063348 0.168442 O\n0.113871 0.934104 0.843308 O\n0.567350 0.929040 0.836382 O\n0.695011 0.450979 0.782932 O\n0.223563 0.451793 0.468906 O\n0.984109 0.273617 0.703012 O\n",
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{
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