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{
"id": "mp-1173605",
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"structure_string": "P8 H80 C16 N8 O32\n1.0\n7.087169 0.015914 0.008599\n-0.008987 9.489108 0.000273\n0.009317 0.000651 19.255095\nP H C N O\n8 80 16 8 32\ndirect\n0.237729 0.328685 0.235072 P\n0.250921 0.339052 0.736186 P\n0.242597 0.167930 0.487161 P\n0.243618 0.168410 0.986981 P\n0.737329 0.828755 0.515258 P\n0.737401 0.828730 0.015537 P\n0.743846 0.668102 0.263390 P\n0.759210 0.674985 0.764931 P\n0.085176 0.860424 0.386030 H\n0.084477 0.858498 0.885392 H\n0.084392 0.812309 0.091295 H\n0.084641 0.813634 0.591308 H\n0.104483 0.622977 0.440856 H\n0.104161 0.620550 0.940263 H\n0.147027 0.863474 0.209397 H\n0.147845 0.863211 0.709575 H\n0.191682 0.660274 0.319816 H\n0.188370 0.659063 0.819092 H\n0.173951 0.612603 0.161508 H\n0.175515 0.615443 0.662328 H\n0.224475 0.206247 0.334449 H\n0.222331 0.214348 0.834516 H\n0.231514 0.003898 0.155251 H\n0.230802 0.005000 0.655654 H\n0.262656 0.909310 0.323948 H\n0.261685 0.907160 0.823322 H\n0.240244 0.592032 0.072662 H\n0.238101 0.593095 0.573016 H\n0.268604 0.497176 0.406518 H\n0.268882 0.495379 0.905735 H\n0.272090 0.291754 0.085809 H\n0.270242 0.293997 0.585141 H\n0.323535 0.887765 0.413407 H\n0.322929 0.885987 0.912796 H\n0.316104 0.839948 0.068989 H\n0.316027 0.841334 0.568964 H\n0.351900 0.637941 0.460819 H\n0.351492 0.636141 0.960112 H\n0.395062 0.878445 0.189994 H\n0.395374 0.879520 0.689933 H\n0.420122 0.690897 0.343429 H\n0.417682 0.688348 0.842436 H\n0.413974 0.639780 0.136047 H\n0.414579 0.641373 0.635169 H\n0.473219 0.488709 0.252429 H\n0.486434 0.021276 0.496654 H\n0.486528 0.020833 0.996247 H\n0.525873 0.513344 0.747369 H\n0.585437 0.360428 0.364052 H\n0.586352 0.361746 0.862997 H\n0.584339 0.312404 0.159010 H\n0.581888 0.310072 0.657749 H\n0.604904 0.122530 0.309291 H\n0.605669 0.123374 0.809165 H\n0.647078 0.363686 0.040964 H\n0.646928 0.361657 0.540044 H\n0.690699 0.160199 0.430325 H\n0.689815 0.161223 0.930273 H\n0.673959 0.112890 0.088656 H\n0.673570 0.110542 0.588131 H\n0.724461 0.706417 0.415880 H\n0.724211 0.706908 0.915905 H\n0.731454 0.504157 0.094981 H\n0.732009 0.502079 0.593979 H\n0.762570 0.409263 0.426028 H\n0.759804 0.409767 0.926583 H\n0.740039 0.092103 0.177386 H\n0.739443 0.089969 0.676886 H\n0.768749 0.996843 0.343663 H\n0.768372 0.997599 0.844056 H\n0.772023 0.792220 0.164718 H\n0.769228 0.795254 0.664959 H\n0.824098 0.387254 0.336581 H\n0.826320 0.389752 0.837703 H\n0.815732 0.340116 0.181155 H\n0.811862 0.339090 0.680349 H\n0.852579 0.137599 0.289363 H\n0.853917 0.137215 0.789677 H\n0.895130 0.378741 0.060005 H\n0.895011 0.375927 0.559333 H\n0.919396 0.190332 0.406780 H\n0.919088 0.191276 0.907120 H\n0.913947 0.139892 0.113813 H\n0.913398 0.137866 0.613204 H\n0.972448 0.988260 0.497814 H\n0.973116 0.988390 0.997870 H\n0.986852 0.520711 0.254050 H\n0.008136 0.489116 0.744890 H\n0.233803 0.849411 0.371356 C\n0.233123 0.847403 0.870796 C\n0.248579 0.607423 0.421388 C\n0.248215 0.605542 0.920678 C\n0.251499 0.893657 0.170179 C\n0.251566 0.894707 0.670336 C\n0.266398 0.651737 0.120310 C\n0.266353 0.653242 0.620366 C\n0.733906 0.349190 0.378683 C\n0.733920 0.350286 0.878844 C\n0.748800 0.107074 0.328775 C\n0.749216 0.107799 0.828955 C\n0.751593 0.393935 0.080012 C\n0.751374 0.391754 0.579137 C\n0.766437 0.151929 0.129757 C\n0.765864 0.149688 0.629234 C\n0.225308 0.803201 0.107823 N\n0.225342 0.804616 0.607821 N\n0.277425 0.698171 0.359196 N\n0.275962 0.696250 0.858465 N\n0.725222 0.303360 0.142360 N\n0.723590 0.301239 0.641508 N\n0.776951 0.197904 0.390950 N\n0.776879 0.198905 0.891051 N\n0.029981 0.372845 0.230351 O\n0.034837 0.385401 0.727450 O\n0.143233 0.047393 0.023744 O\n0.142688 0.047261 0.524407 O\n0.161587 0.210195 0.417185 O\n0.162371 0.212869 0.917276 O\n0.257969 0.192747 0.283726 O\n0.247557 0.200503 0.783076 O\n0.244395 0.306026 0.034461 O\n0.241757 0.306835 0.533821 O\n0.334809 0.291739 0.166676 O\n0.332938 0.294685 0.666275 O\n0.353422 0.458117 0.773195 O\n0.344181 0.452286 0.273744 O\n0.460360 0.123936 0.479218 O\n0.460729 0.123162 0.978243 O\n0.529463 0.873965 0.020494 O\n0.529572 0.873517 0.519952 O\n0.643649 0.547162 0.226598 O\n0.656565 0.548393 0.727145 O\n0.662375 0.711663 0.333325 O\n0.664138 0.711826 0.833631 O\n0.757255 0.692718 0.466652 O\n0.756355 0.692997 0.966774 O\n0.744643 0.806080 0.216270 O\n0.733836 0.809215 0.715664 O\n0.833602 0.791796 0.083778 O\n0.833840 0.792325 0.583603 O\n0.844079 0.952240 0.476333 O\n0.844214 0.952128 0.976649 O\n0.960946 0.623048 0.271869 O\n0.968464 0.633500 0.768851 O\n",
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],
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"volume_molar": 5.415429703917976,
"formula_full": "P8 H80 C16 N8 O32",
"formula_reduced": "PH10C2NO4",
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"updated_at": "2021-11-28T01:35:09.967000Z",
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},
{
"id": "mp-541880",
"created_at": "2022-09-04T14:40:30.576862Z",
"structure_string": "Rb8 Ge8 Se20\n1.0\n8.324210 8.318932 0.000000\n-8.324210 8.318932 0.000000\n0.000000 2.286723 9.350178\nRb Ge Se\n8 8 20\ndirect\n0.788172 0.526994 0.117007 Rb\n0.473006 0.211828 0.382993 Rb\n0.211828 0.473006 0.882993 Rb\n0.526994 0.788172 0.617007 Rb\n0.053370 0.211688 0.385905 Rb\n0.788312 0.946630 0.114095 Rb\n0.946630 0.788312 0.614095 Rb\n0.211688 0.053370 0.885905 Rb\n0.732524 0.470238 0.599385 Ge\n0.529762 0.267476 0.900615 Ge\n0.267476 0.529762 0.400615 Ge\n0.470238 0.732524 0.099385 Ge\n0.134195 0.730492 0.112379 Ge\n0.269508 0.865805 0.387621 Ge\n0.865805 0.269508 0.887621 Ge\n0.730492 0.134195 0.612379 Ge\n0.887860 0.455864 0.737893 Se\n0.544136 0.112140 0.762107 Se\n0.112140 0.544136 0.262107 Se\n0.455864 0.887860 0.237893 Se\n0.245920 0.680994 0.546338 Se\n0.319006 0.754080 0.953662 Se\n0.754080 0.319006 0.453662 Se\n0.680994 0.245920 0.046338 Se\n0.756676 0.644192 0.448390 Se\n0.355808 0.243324 0.051610 Se\n0.243324 0.355808 0.551610 Se\n0.644192 0.756676 0.948390 Se\n0.005332 0.246301 0.029545 Se\n0.753699 0.994668 0.470455 Se\n0.994668 0.753699 0.970455 Se\n0.246301 0.005332 0.529545 Se\n0.885953 0.114047 0.750000 Se\n0.114047 0.885953 0.250000 Se\n0.545726 0.454274 0.750000 Se\n0.454274 0.545726 0.250000 Se\n",
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},
{
"id": "mp-1199371",
"created_at": "2022-09-04T14:47:23.755632Z",
"structure_string": "Ga4 P8 H60 C20 N8 O32\n1.0\n15.468246 0.000000 0.000000\n0.000000 9.099018 0.000000\n0.000000 8.980658 9.200829\nGa P H C N O\n4 8 60 20 8 32\ndirect\n0.995709 0.264388 0.244151 Ga\n0.504291 0.264388 0.744151 Ga\n0.004291 0.735612 0.755849 Ga\n0.495709 0.735612 0.255849 Ga\n0.912461 0.847426 0.497023 P\n0.587539 0.847426 0.997023 P\n0.087539 0.152574 0.502977 P\n0.412461 0.152574 0.002977 P\n0.891973 0.661715 0.995643 P\n0.608027 0.661715 0.495643 P\n0.108027 0.338285 0.004357 P\n0.391973 0.338285 0.504357 P\n0.797730 0.712702 0.487479 H\n0.702270 0.712702 0.987479 H\n0.202270 0.287298 0.512521 H\n0.297730 0.287298 0.012521 H\n0.810772 0.131068 0.486482 H\n0.689228 0.131068 0.986482 H\n0.189228 0.868932 0.513518 H\n0.310772 0.868932 0.013518 H\n0.676065 0.459925 0.350416 H\n0.823935 0.459925 0.850416 H\n0.323935 0.540075 0.649584 H\n0.176065 0.540075 0.149584 H\n0.758650 0.455427 0.255360 H\n0.741350 0.455427 0.755360 H\n0.241350 0.544573 0.744640 H\n0.258650 0.544573 0.244640 H\n0.620035 0.314355 0.255333 H\n0.879965 0.314355 0.755333 H\n0.379965 0.685645 0.744667 H\n0.120035 0.685645 0.244667 H\n0.704797 0.126762 0.346649 H\n0.795203 0.126762 0.846649 H\n0.295203 0.873238 0.653351 H\n0.204797 0.873238 0.153351 H\n0.581730 0.962846 0.486161 H\n0.918270 0.962846 0.986161 H\n0.418270 0.037154 0.513839 H\n0.081730 0.037154 0.013839 H\n0.557421 0.148835 0.485747 H\n0.942579 0.148835 0.985747 H\n0.442579 0.851165 0.514253 H\n0.057421 0.851165 0.014253 H\n0.704724 0.854540 0.625195 H\n0.795276 0.854540 0.125195 H\n0.295276 0.145460 0.374805 H\n0.204724 0.145460 0.874805 H\n0.619228 0.866576 0.713383 H\n0.880772 0.866576 0.213383 H\n0.380772 0.133424 0.286617 H\n0.119228 0.133424 0.786617 H\n0.758408 0.008168 0.711987 H\n0.741592 0.008168 0.211987 H\n0.241592 0.991832 0.288013 H\n0.258408 0.991832 0.788013 H\n0.676136 0.200910 0.615347 H\n0.823864 0.200910 0.115347 H\n0.323864 0.799090 0.384653 H\n0.176136 0.799090 0.884653 H\n0.870164 0.266307 0.579396 H\n0.629836 0.266307 0.079396 H\n0.129836 0.733693 0.420604 H\n0.370164 0.733693 0.920604 H\n0.790209 0.467493 0.479267 H\n0.709791 0.467493 0.979267 H\n0.209791 0.532507 0.520733 H\n0.290209 0.532507 0.020733 H\n0.871377 0.452829 0.386113 H\n0.628623 0.452829 0.886113 H\n0.128623 0.547171 0.613887 H\n0.371377 0.547171 0.113887 H\n0.716183 0.359583 0.350879 C\n0.783817 0.359583 0.850879 C\n0.283817 0.640417 0.649121 C\n0.216183 0.640417 0.149121 C\n0.662755 0.220266 0.350333 C\n0.837245 0.220266 0.850333 C\n0.337245 0.779734 0.649667 C\n0.162755 0.779734 0.149667 C\n0.662525 0.957294 0.619153 C\n0.837475 0.957294 0.119153 C\n0.337475 0.042706 0.380847 C\n0.162525 0.042706 0.880847 C\n0.716081 0.099991 0.616226 C\n0.783919 0.099991 0.116226 C\n0.283919 0.900009 0.383774 C\n0.216081 0.900009 0.883774 C\n0.829627 0.365009 0.481924 C\n0.670373 0.365009 0.981924 C\n0.170373 0.634991 0.518076 C\n0.329627 0.634991 0.018076 C\n0.771879 0.233578 0.483502 N\n0.728121 0.233578 0.983502 N\n0.228121 0.766422 0.516498 N\n0.271879 0.766422 0.016498 N\n0.609062 0.073645 0.484701 N\n0.890938 0.073645 0.984701 N\n0.390938 0.926355 0.515299 N\n0.109062 0.926355 0.015299 N\n0.848843 0.962959 0.506674 O\n0.651157 0.962959 0.006674 O\n0.151157 0.037041 0.493326 O\n0.348843 0.037041 0.993326 O\n0.864402 0.699586 0.491502 O\n0.635598 0.699586 0.991502 O\n0.135598 0.300414 0.508498 O\n0.364402 0.300414 0.008498 O\n0.969820 0.989688 0.356992 O\n0.530180 0.989688 0.856992 O\n0.030180 0.010312 0.643008 O\n0.469820 0.010312 0.143008 O\n0.973771 0.704006 0.632115 O\n0.526229 0.704006 0.132115 O\n0.026229 0.295994 0.367885 O\n0.473771 0.295994 0.867885 O\n0.799567 0.731406 0.979113 O\n0.700433 0.731406 0.479113 O\n0.200433 0.268594 0.020887 O\n0.299567 0.268594 0.520887 O\n0.957936 0.790998 0.993597 O\n0.542064 0.790998 0.493597 O\n0.042064 0.209002 0.006403 O\n0.457936 0.209002 0.506403 O\n0.899174 0.426204 0.143430 O\n0.600826 0.426204 0.643430 O\n0.100826 0.573796 0.856570 O\n0.399174 0.573796 0.356570 O\n0.911634 0.668685 0.871479 O\n0.588366 0.668685 0.371479 O\n0.088366 0.331315 0.128521 O\n0.411634 0.331315 0.628521 O\n",
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"formula_full": "Ga4 P8 H60 C20 N8 O32",
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},
{
"id": "mp-1227889",
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"structure_string": "Cu4 Bi10 Pb10 S28\n1.0\n0.000000 0.000000 4.056785\n15.007140 0.000000 0.000000\n0.000000 21.271542 0.000000\nCu Bi Pb S\n4 10 10 28\ndirect\n0.250000 0.827751 0.675100 Cu\n0.250000 0.672249 0.175100 Cu\n0.750000 0.172195 0.324296 Cu\n0.750000 0.327805 0.824296 Cu\n0.250000 0.896207 0.972042 Bi\n0.250000 0.603793 0.472042 Bi\n0.750000 0.107680 0.032428 Bi\n0.750000 0.392320 0.532428 Bi\n0.250000 0.534546 0.841229 Bi\n0.250000 0.965454 0.341229 Bi\n0.750000 0.465951 0.157945 Bi\n0.750000 0.034049 0.657945 Bi\n0.750000 0.661728 0.307846 Bi\n0.750000 0.838272 0.807846 Bi\n0.250000 0.864659 0.519313 Pb\n0.250000 0.635341 0.019313 Pb\n0.750000 0.140545 0.478930 Pb\n0.750000 0.359455 0.978930 Pb\n0.250000 0.107539 0.835310 Pb\n0.250000 0.392461 0.335310 Pb\n0.750000 0.894536 0.165017 Pb\n0.750000 0.605464 0.665017 Pb\n0.250000 0.331604 0.692268 Pb\n0.250000 0.168396 0.192268 Pb\n0.250000 0.961632 0.742668 S\n0.250000 0.538368 0.242668 S\n0.750000 0.032227 0.261604 S\n0.750000 0.467773 0.761604 S\n0.250000 0.769644 0.882948 S\n0.250000 0.730356 0.382948 S\n0.750000 0.237543 0.112585 S\n0.750000 0.262457 0.612585 S\n0.250000 0.045678 0.568219 S\n0.250000 0.454322 0.068219 S\n0.750000 0.953275 0.435286 S\n0.750000 0.546725 0.935286 S\n0.250000 0.188802 0.965592 S\n0.250000 0.311198 0.465592 S\n0.750000 0.809200 0.031872 S\n0.750000 0.690800 0.531872 S\n0.250000 0.364094 0.872767 S\n0.250000 0.135906 0.372767 S\n0.750000 0.635799 0.127728 S\n0.750000 0.864201 0.627728 S\n0.250000 0.483178 0.605032 S\n0.250000 0.016822 0.105032 S\n0.750000 0.525713 0.390160 S\n0.750000 0.974287 0.890160 S\n0.250000 0.701175 0.732482 S\n0.250000 0.798825 0.232482 S\n0.750000 0.301215 0.269332 S\n0.750000 0.198785 0.769332 S\n",
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