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{
"id": "mp-756688",
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"structure_string": "Li8 Mn4 O8 F4\n1.0\n-4.781346 -1.976753 0.000000\n0.000000 0.000000 6.358933\n-4.781450 5.930511 0.000000\nLi Mn O F\n8 4 8 4\ndirect\n0.998360 0.250000 0.666118 Li\n0.498359 0.250000 0.166119 Li\n0.001639 0.750000 0.333882 Li\n0.501641 0.750000 0.833880 Li\n0.061264 0.750000 0.687081 Li\n0.561267 0.750000 0.187081 Li\n0.938736 0.250000 0.312919 Li\n0.438732 0.250000 0.812919 Li\n0.500000 0.000000 0.500001 Mn\n0.499999 0.500000 0.500000 Mn\n0.000002 0.000000 0.000000 Mn\n0.000002 0.500000 0.000001 Mn\n0.322737 0.750000 0.440911 O\n0.822750 0.750000 0.940915 O\n0.677263 0.250000 0.559089 O\n0.177250 0.250000 0.059085 O\n0.750003 0.500000 0.249996 O\n0.249997 0.500000 0.750003 O\n0.750003 0.000000 0.249996 O\n0.249997 0.000000 0.750003 O\n0.243743 0.250000 0.414562 F\n0.743760 0.250000 0.914567 F\n0.756256 0.750000 0.585438 F\n0.256240 0.750000 0.085433 F\n",
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{
"id": "mp-1175245",
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.238297 0.000000 0.000000\n2.098573 5.613608 0.000000\n2.051484 1.272819 7.395376\nLi Mn Co O\n7 4 1 12\ndirect\n0.497428 0.171484 0.840943 Li\n0.488893 0.992698 0.497451 Li\n0.506652 0.821575 0.160931 Li\n0.500416 0.661415 0.837431 Li\n0.494893 0.504785 0.495515 Li\n0.515507 0.347483 0.166474 Li\n0.995976 0.498694 0.001466 Li\n0.000810 0.999987 0.997702 Mn\n0.998502 0.168371 0.330078 Mn\n0.994463 0.661181 0.329046 Mn\n0.003768 0.341487 0.669878 Mn\n0.003546 0.834683 0.671468 Co\n0.768516 0.319767 0.905693 O\n0.799673 0.167541 0.589767 O\n0.758752 0.981563 0.236222 O\n0.792568 0.849663 0.907324 O\n0.762690 0.649918 0.578648 O\n0.757321 0.479499 0.254205 O\n0.242210 0.023264 0.761277 O\n0.222785 0.847878 0.431044 O\n0.232756 0.680964 0.086976 O\n0.212229 0.505099 0.737690 O\n0.236454 0.347283 0.427221 O\n0.213195 0.143718 0.085554 O\n",
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"formula_full": "Li7 Mn4 Co1 O12",
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},
{
"id": "mp-1226946",
"created_at": "2022-09-04T14:47:08.276874Z",
"structure_string": "Ce2 Y2 Fe34\n1.0\n4.243140 -7.349334 0.000000\n4.243140 7.349334 0.000000\n0.000000 0.000000 8.310191\nCe Y Fe\n2 2 34\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.393379 Fe\n0.666667 0.333333 0.606621 Fe\n0.666667 0.333333 0.893379 Fe\n0.333333 0.666667 0.106621 Fe\n0.165724 0.834276 0.513286 Fe\n0.165724 0.331449 0.513286 Fe\n0.668551 0.834276 0.513286 Fe\n0.834276 0.165724 0.486714 Fe\n0.834276 0.668551 0.486714 Fe\n0.331449 0.165724 0.486714 Fe\n0.834276 0.165724 0.013286 Fe\n0.834276 0.668551 0.013286 Fe\n0.331449 0.165724 0.013286 Fe\n0.165724 0.834276 0.986714 Fe\n0.165724 0.331449 0.986714 Fe\n0.668551 0.834276 0.986714 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.329327 0.367776 0.250000 Fe\n0.632224 0.961550 0.250000 Fe\n0.038450 0.670673 0.250000 Fe\n0.632224 0.670673 0.250000 Fe\n0.038450 0.367776 0.250000 Fe\n0.329327 0.961550 0.250000 Fe\n0.670673 0.632224 0.750000 Fe\n0.367776 0.038450 0.750000 Fe\n0.961550 0.329327 0.750000 Fe\n0.367776 0.329327 0.750000 Fe\n0.961550 0.632224 0.750000 Fe\n0.670673 0.038450 0.750000 Fe\n",
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"volume": 518.2941983874634,
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"formula_full": "Ce2 Y2 Fe34",
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},
{
"id": "mp-779090",
"created_at": "2022-09-04T14:47:08.279551Z",
"structure_string": "V6 O12 F6\n1.0\n5.042703 0.000000 0.000000\n2.366271 4.669472 0.000000\n0.402323 0.081401 12.523439\nV O F\n6 12 6\ndirect\n0.372807 0.319249 0.339965 V\n0.274377 0.393184 0.840227 V\n0.725623 0.606816 0.159773 V\n0.627193 0.680751 0.660035 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.484951 0.470428 0.720791 O\n0.603822 0.191423 0.448068 O\n0.250280 0.671306 0.918994 O\n0.866873 0.863150 0.608902 O\n0.051075 0.465620 0.219242 O\n0.202625 0.182655 0.944399 O\n0.797375 0.817345 0.055601 O\n0.948925 0.534380 0.780758 O\n0.133127 0.136850 0.391098 O\n0.749720 0.328694 0.081006 O\n0.396178 0.808577 0.551932 O\n0.515049 0.529572 0.279209 O\n0.735604 0.135147 0.884468 F\n0.068427 0.661100 0.417921 F\n0.591079 0.008155 0.251958 F\n0.931573 0.338900 0.582079 F\n0.408921 0.991845 0.748042 F\n0.264396 0.864853 0.115532 F\n",
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"elements": [
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"formula_full": "V6 O12 F6",
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},
{
"id": "mp-1196297",
"created_at": "2022-09-04T14:47:08.278028Z",
"structure_string": "Cs4 Rb8 Sb16 F60\n1.0\n29.192939 0.000000 0.000000\n0.000000 8.062717 0.000000\n0.000000 3.493328 7.356418\nCs Rb Sb F\n4 8 16 60\ndirect\n0.568768 0.793804 0.707263 Cs\n0.068768 0.206196 0.792737 Cs\n0.431232 0.206196 0.292737 Cs\n0.931232 0.793804 0.207263 Cs\n0.284432 0.643442 0.865128 Rb\n0.784432 0.356558 0.634872 Rb\n0.715568 0.356558 0.134872 Rb\n0.215568 0.643442 0.365128 Rb\n0.648794 0.823112 0.161686 Rb\n0.148794 0.176888 0.338314 Rb\n0.351206 0.176888 0.838314 Rb\n0.851206 0.823112 0.661686 Rb\n0.427973 0.719426 0.809692 Sb\n0.927973 0.280574 0.690308 Sb\n0.572027 0.280574 0.190308 Sb\n0.072027 0.719426 0.309692 Sb\n0.358549 0.656765 0.337017 Sb\n0.858549 0.343235 0.162983 Sb\n0.641451 0.343235 0.662983 Sb\n0.141451 0.656765 0.837017 Sb\n0.498146 0.246363 0.749844 Sb\n0.998146 0.753637 0.750156 Sb\n0.501854 0.753637 0.250156 Sb\n0.001854 0.246363 0.249844 Sb\n0.289712 0.136310 0.374187 Sb\n0.789712 0.863690 0.125813 Sb\n0.710288 0.863690 0.625813 Sb\n0.210288 0.136310 0.874187 Sb\n0.433704 0.776044 0.543701 F\n0.933704 0.223956 0.956299 F\n0.566296 0.223956 0.456299 F\n0.066296 0.776044 0.043701 F\n0.384422 0.521394 0.834060 F\n0.884422 0.478606 0.665940 F\n0.615578 0.478606 0.165940 F\n0.115578 0.521394 0.334060 F\n0.377108 0.899171 0.728268 F\n0.877108 0.100829 0.771732 F\n0.622892 0.100829 0.271732 F\n0.122892 0.899171 0.228268 F\n0.395973 0.666903 0.091052 F\n0.895973 0.333097 0.408948 F\n0.604027 0.333097 0.908948 F\n0.104027 0.666903 0.591052 F\n0.306254 0.702005 0.170454 F\n0.806254 0.297995 0.329546 F\n0.693746 0.297995 0.829546 F\n0.193746 0.702005 0.670454 F\n0.367458 0.927909 0.225704 F\n0.867458 0.072091 0.274296 F\n0.632542 0.072091 0.774296 F\n0.132542 0.927909 0.725704 F\n0.310330 0.687264 0.501527 F\n0.810330 0.312736 0.998473 F\n0.689670 0.312736 0.498473 F\n0.189670 0.687264 0.001527 F\n0.478411 0.026695 0.690065 F\n0.978411 0.973305 0.809935 F\n0.521589 0.973305 0.309935 F\n0.021589 0.026695 0.190065 F\n0.451456 0.375645 0.564374 F\n0.951456 0.624355 0.935626 F\n0.548544 0.624355 0.435626 F\n0.048544 0.375645 0.064374 F\n0.453471 0.125487 0.949336 F\n0.953471 0.874513 0.550664 F\n0.546529 0.874513 0.050664 F\n0.046529 0.125487 0.449336 F\n0.489777 0.462023 0.821743 F\n0.989777 0.537977 0.678257 F\n0.510223 0.537977 0.178257 F\n0.010223 0.462023 0.321743 F\n0.333833 0.315629 0.435191 F\n0.833833 0.684371 0.064809 F\n0.666167 0.684371 0.564809 F\n0.166167 0.315629 0.935191 F\n0.317707 0.264733 0.132304 F\n0.817707 0.735267 0.367696 F\n0.682293 0.735267 0.867696 F\n0.182293 0.264733 0.632304 F\n0.244967 0.335219 0.316045 F\n0.744967 0.664781 0.183955 F\n0.755033 0.664781 0.683955 F\n0.255033 0.335219 0.816045 F\n0.240439 0.044492 0.244809 F\n0.740439 0.955508 0.255191 F\n0.759561 0.955508 0.755191 F\n0.259561 0.044492 0.744809 F\n",
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{
"id": "mp-1201899",
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"structure_string": "U8 Te24 O64\n1.0\n11.416931 0.000000 0.000000\n0.000000 11.416931 0.000000\n0.000000 0.000000 11.416931\nU Te O\n8 24 64\ndirect\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.452979 0.759009 0.282826 Te\n0.547021 0.259009 0.217174 Te\n0.047021 0.240991 0.782826 Te\n0.952979 0.740991 0.717174 Te\n0.282826 0.452979 0.759009 Te\n0.217174 0.547021 0.259009 Te\n0.782826 0.047021 0.240991 Te\n0.717174 0.952979 0.740991 Te\n0.759009 0.282826 0.452979 Te\n0.259009 0.217174 0.547021 Te\n0.240991 0.782826 0.047021 Te\n0.740991 0.717174 0.952979 Te\n0.547021 0.240991 0.717174 Te\n0.452979 0.740991 0.782826 Te\n0.952979 0.759009 0.217174 Te\n0.047021 0.259009 0.282826 Te\n0.717174 0.547021 0.240991 Te\n0.782826 0.452979 0.740991 Te\n0.217174 0.952979 0.759009 Te\n0.282826 0.047021 0.259009 Te\n0.240991 0.717174 0.547021 Te\n0.740991 0.782826 0.452979 Te\n0.759009 0.217174 0.952979 Te\n0.259009 0.282826 0.047021 Te\n0.398749 0.676132 0.419467 O\n0.601251 0.176132 0.080533 O\n0.101251 0.323868 0.919467 O\n0.898749 0.823868 0.580533 O\n0.419467 0.398749 0.676132 O\n0.080533 0.601251 0.176132 O\n0.919467 0.101251 0.323868 O\n0.580533 0.898749 0.823868 O\n0.676132 0.419467 0.398749 O\n0.176132 0.080533 0.601251 O\n0.323868 0.919467 0.101251 O\n0.823868 0.580533 0.898749 O\n0.601251 0.323868 0.580533 O\n0.398749 0.823868 0.919467 O\n0.898749 0.676132 0.080533 O\n0.101251 0.176132 0.419467 O\n0.580533 0.601251 0.323868 O\n0.919467 0.398749 0.823868 O\n0.080533 0.898749 0.676132 O\n0.419467 0.101251 0.176132 O\n0.323868 0.580533 0.601251 O\n0.823868 0.919467 0.398749 O\n0.676132 0.080533 0.898749 O\n0.176132 0.419467 0.101251 O\n0.090283 0.840772 0.113842 O\n0.909717 0.340772 0.386158 O\n0.409717 0.159228 0.613842 O\n0.590283 0.659228 0.886158 O\n0.113842 0.090283 0.840772 O\n0.386158 0.909717 0.340772 O\n0.613842 0.409717 0.159228 O\n0.886158 0.590283 0.659228 O\n0.840772 0.113842 0.090283 O\n0.340772 0.386158 0.909717 O\n0.159228 0.613842 0.409717 O\n0.659228 0.886158 0.590283 O\n0.909717 0.159228 0.886158 O\n0.090283 0.659228 0.613842 O\n0.590283 0.840772 0.386158 O\n0.409717 0.340772 0.113842 O\n0.886158 0.909717 0.159228 O\n0.613842 0.090283 0.659228 O\n0.386158 0.590283 0.840772 O\n0.113842 0.409717 0.340772 O\n0.159228 0.886158 0.909717 O\n0.659228 0.613842 0.090283 O\n0.840772 0.386158 0.590283 O\n0.340772 0.113842 0.409717 O\n0.406439 0.593561 0.093561 O\n0.593561 0.093561 0.406439 O\n0.093561 0.406439 0.593561 O\n0.906439 0.906439 0.906439 O\n0.593561 0.406439 0.906439 O\n0.406439 0.906439 0.593561 O\n0.906439 0.593561 0.406439 O\n0.093561 0.093561 0.093561 O\n0.906646 0.093354 0.593354 O\n0.093354 0.593354 0.906646 O\n0.593354 0.906646 0.093354 O\n0.406646 0.406646 0.406646 O\n0.093354 0.906646 0.406646 O\n0.906646 0.406646 0.093354 O\n0.406646 0.093354 0.906646 O\n0.593354 0.593354 0.593354 O\n",
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{
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{
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"structure_string": "Cs4 Mg2 H24 Se4 O28\n1.0\n13.109148 0.000000 0.000000\n0.000000 6.575849 0.000000\n0.000000 2.620213 9.218986\nCs Mg H Se O\n4 2 24 4 28\ndirect\n0.351531 0.649809 0.129673 Cs\n0.851531 0.350191 0.370327 Cs\n0.148469 0.649809 0.629673 Cs\n0.648469 0.350191 0.870327 Cs\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.056211 0.332619 0.095751 H\n0.866221 0.681021 0.026328 H\n0.406394 0.064833 0.231845 H\n0.630804 0.088937 0.269887 H\n0.094485 0.689170 0.203299 H\n0.821526 0.993782 0.146527 H\n0.321526 0.006218 0.353473 H\n0.594485 0.310830 0.296701 H\n0.130804 0.911063 0.230113 H\n0.906394 0.935167 0.268155 H\n0.366221 0.318979 0.473672 H\n0.556211 0.667381 0.404249 H\n0.443789 0.332619 0.595751 H\n0.633779 0.681021 0.526328 H\n0.093606 0.064833 0.731845 H\n0.869196 0.088937 0.769887 H\n0.405515 0.689170 0.703299 H\n0.678474 0.993782 0.646527 H\n0.178474 0.006218 0.853473 H\n0.905515 0.310830 0.796701 H\n0.369196 0.911063 0.730113 H\n0.593606 0.935167 0.768155 H\n0.133779 0.318979 0.973672 H\n0.943789 0.667381 0.904249 H\n0.646729 0.742067 0.102135 Se\n0.146729 0.257933 0.397865 Se\n0.853271 0.742067 0.602135 Se\n0.353271 0.257933 0.897865 Se\n0.061729 0.286587 0.005857 O\n0.424360 0.195602 0.048648 O\n0.895167 0.014962 0.165142 O\n0.746576 0.593875 0.081022 O\n0.106672 0.841791 0.156277 O\n0.688952 0.962008 0.142057 O\n0.074520 0.402949 0.261160 O\n0.574520 0.597051 0.238840 O\n0.188952 0.037992 0.357943 O\n0.606672 0.158209 0.343723 O\n0.246576 0.406125 0.418978 O\n0.395167 0.985038 0.334858 O\n0.438271 0.286587 0.505857 O\n0.075640 0.195602 0.548648 O\n0.924360 0.804398 0.451352 O\n0.561729 0.713413 0.494143 O\n0.604833 0.014962 0.665142 O\n0.753424 0.593875 0.581022 O\n0.393328 0.841791 0.656277 O\n0.811048 0.962008 0.642057 O\n0.425480 0.402949 0.761160 O\n0.925480 0.597051 0.738840 O\n0.311048 0.037992 0.857943 O\n0.893328 0.158209 0.843723 O\n0.253424 0.406125 0.918978 O\n0.104833 0.985038 0.834858 O\n0.575640 0.804398 0.951352 O\n0.938271 0.713413 0.994143 O\n",
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"structure_string": "Cr8 Bi12 O44\n1.0\n5.640431 0.000000 -0.273168\n0.000000 12.379692 0.000000\n0.037927 0.000000 14.188699\nCr Bi O\n8 12 44\ndirect\n0.837122 0.122815 0.392338 Cr\n0.662878 0.622815 0.607662 Cr\n0.162878 0.877185 0.607662 Cr\n0.337122 0.377185 0.392338 Cr\n0.663850 0.408201 0.827656 Cr\n0.836150 0.908201 0.172344 Cr\n0.336150 0.591799 0.172344 Cr\n0.163850 0.091799 0.827656 Cr\n0.668657 0.123788 0.001895 Bi\n0.831343 0.623788 0.998105 Bi\n0.331343 0.876212 0.998105 Bi\n0.168657 0.376212 0.001895 Bi\n0.756518 0.856877 0.816347 Bi\n0.743482 0.356877 0.183653 Bi\n0.243482 0.143123 0.183653 Bi\n0.256518 0.643123 0.816347 Bi\n0.831251 0.351954 0.575335 Bi\n0.668749 0.851954 0.424665 Bi\n0.168749 0.648046 0.424665 Bi\n0.331251 0.148046 0.575335 Bi\n0.406672 0.359882 0.797222 O\n0.093328 0.859882 0.202778 O\n0.593328 0.640118 0.202778 O\n0.906672 0.140118 0.797222 O\n0.617654 0.958190 0.928926 O\n0.882346 0.458190 0.071074 O\n0.382346 0.041810 0.071074 O\n0.117654 0.541810 0.928926 O\n0.315765 0.312919 0.288720 O\n0.184235 0.812919 0.711280 O\n0.684235 0.687081 0.711280 O\n0.815765 0.187081 0.288720 O\n0.513173 0.243757 0.107981 O\n0.986827 0.743757 0.892019 O\n0.486827 0.756243 0.892019 O\n0.013173 0.256243 0.107981 O\n0.076078 0.426126 0.423980 O\n0.423922 0.926126 0.576020 O\n0.923922 0.573874 0.576020 O\n0.576078 0.073874 0.423980 O\n0.167086 0.582172 0.265398 O\n0.332914 0.082172 0.734602 O\n0.832914 0.417828 0.734602 O\n0.667086 0.917828 0.265398 O\n0.476570 0.522082 0.612611 O\n0.023430 0.022082 0.387389 O\n0.523430 0.477918 0.387389 O\n0.976570 0.977918 0.612611 O\n0.845527 0.716175 0.362893 O\n0.654473 0.216174 0.637107 O\n0.154473 0.283826 0.637107 O\n0.345527 0.783825 0.362893 O\n0.543784 0.708029 0.523506 O\n0.956216 0.208029 0.476494 O\n0.456216 0.291971 0.476494 O\n0.043784 0.791971 0.523506 O\n0.893679 0.035077 0.125245 O\n0.606321 0.535077 0.874755 O\n0.106321 0.964923 0.874755 O\n0.393679 0.464923 0.125245 O\n0.294839 0.169230 0.912447 O\n0.205161 0.669230 0.087553 O\n0.705161 0.830770 0.087553 O\n0.794839 0.330770 0.912447 O\n",
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}