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{
"id": "mp-1210279",
"created_at": "2022-09-04T14:47:57.071230Z",
"structure_string": "Na4 Ca8 Si16 O40 F4\n1.0\n-7.044322 0.000000 0.000000\n3.505818 7.041262 0.000000\n-0.041826 -1.582922 -19.100052\nNa Ca Si O F\n4 8 16 40 4\ndirect\n0.867770 0.735162 0.490345 Na\n0.132230 0.264838 0.509655 Na\n0.864364 0.239318 0.997309 Na\n0.135636 0.760682 0.002691 Na\n0.500993 0.499526 0.717610 Ca\n0.499007 0.500474 0.282390 Ca\n0.520368 0.045346 0.779990 Ca\n0.479632 0.954654 0.220010 Ca\n0.996424 0.499256 0.715313 Ca\n0.003576 0.500744 0.284687 Ca\n0.019895 0.042612 0.784411 Ca\n0.980105 0.957388 0.215589 Ca\n0.765259 0.477991 0.879901 Si\n0.234741 0.522009 0.120099 Si\n0.786413 0.014375 0.622480 Si\n0.213587 0.985625 0.377520 Si\n0.226358 0.014054 0.622624 Si\n0.773642 0.985946 0.377376 Si\n0.345307 0.193589 0.931605 Si\n0.654693 0.806411 0.068395 Si\n0.658098 0.824146 0.909854 Si\n0.341902 0.175854 0.090146 Si\n0.205761 0.474868 0.880299 Si\n0.794239 0.525132 0.119701 Si\n0.665241 0.330986 0.410030 Si\n0.334759 0.669014 0.589970 Si\n0.644125 0.290666 0.569381 Si\n0.355875 0.709334 0.430619 Si\n0.791628 0.201372 0.392592 O\n0.208372 0.798628 0.607408 O\n0.703154 0.391593 0.800349 O\n0.296846 0.608407 0.199651 O\n0.183728 0.389473 0.800720 O\n0.816272 0.610527 0.199280 O\n0.410343 0.200682 0.392620 O\n0.589657 0.799318 0.607380 O\n0.998889 0.503911 0.909086 O\n0.001111 0.496089 0.090914 O\n0.716012 0.437250 0.636912 O\n0.283988 0.562750 0.363088 O\n0.765637 0.152074 0.564690 O\n0.234363 0.847926 0.435310 O\n0.782426 0.691482 0.897082 O\n0.217574 0.308518 0.102918 O\n0.385215 0.151052 0.564805 O\n0.614785 0.848948 0.435195 O\n0.274586 0.046355 0.864069 O\n0.725414 0.953645 0.135931 O\n0.742573 0.998973 0.861694 O\n0.257427 0.001027 0.138306 O\n0.703394 0.909746 0.993699 O\n0.296606 0.090254 0.006301 O\n0.993041 0.986975 0.593332 O\n0.006959 0.013025 0.406668 O\n0.402479 0.686003 0.900199 O\n0.597521 0.313997 0.099801 O\n0.293226 0.105244 0.701701 O\n0.706774 0.894756 0.298299 O\n0.603943 0.335927 0.936116 O\n0.396057 0.664073 0.063884 O\n0.760729 0.523063 0.370401 O\n0.239271 0.476937 0.629599 O\n0.218137 0.327912 0.936014 O\n0.781863 0.672088 0.063986 O\n0.697314 0.396461 0.495472 O\n0.302686 0.603539 0.504528 O\n0.809102 0.104824 0.701564 O\n0.190898 0.895176 0.298436 O\n0.639470 0.265039 0.254983 F\n0.360530 0.734961 0.745017 F\n0.871048 0.737208 0.739137 F\n0.128952 0.262792 0.260863 F\n",
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"volume_molar": 7.923967024475736,
"formula_full": "Na4 Ca8 Si16 O40 F4",
"formula_reduced": "NaCa2Si4O10F",
"formula_anonymous": "ABC2D4E10",
"energy": -553.33697222,
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"updated_at": "2021-11-28T01:38:20.002000Z",
"spacegroup": 2
},
{
"id": "mp-1198675",
"created_at": "2022-09-04T14:40:32.162486Z",
"structure_string": "Cs4 Ru8 C32 Cl8 O32\n1.0\n12.131343 0.000000 0.000000\n0.000000 12.131343 0.000000\n0.000000 0.000000 11.311946\nCs Ru C Cl O\n4 8 32 8 32\ndirect\n0.500000 0.000000 0.944161 Cs\n0.500000 0.000000 0.444161 Cs\n0.000000 0.500000 0.555839 Cs\n0.000000 0.500000 0.055839 Cs\n0.281441 0.159956 0.727403 Ru\n0.718559 0.840044 0.727403 Ru\n0.340044 0.781441 0.227403 Ru\n0.659956 0.218559 0.227403 Ru\n0.218559 0.340044 0.772597 Ru\n0.781441 0.659956 0.772597 Ru\n0.159956 0.718559 0.272597 Ru\n0.840044 0.281441 0.272597 Ru\n0.051335 0.196906 0.669499 C\n0.948665 0.803094 0.669499 C\n0.303094 0.551335 0.169499 C\n0.696906 0.448665 0.169499 C\n0.448665 0.303094 0.830501 C\n0.551335 0.696906 0.830501 C\n0.196906 0.948665 0.330501 C\n0.803094 0.051335 0.330501 C\n0.305624 0.315141 0.534109 C\n0.694376 0.684859 0.534109 C\n0.184859 0.805624 0.034109 C\n0.815141 0.194376 0.034109 C\n0.194376 0.184859 0.965891 C\n0.805624 0.815141 0.965891 C\n0.315141 0.694376 0.465891 C\n0.684859 0.305624 0.465891 C\n0.945004 0.169757 0.621478 C\n0.054996 0.830243 0.621478 C\n0.330243 0.445004 0.121478 C\n0.669757 0.554996 0.121478 C\n0.554996 0.330243 0.878522 C\n0.445004 0.669757 0.878522 C\n0.169757 0.054996 0.378522 C\n0.830243 0.945004 0.378522 C\n0.333877 0.352363 0.417067 C\n0.666123 0.647637 0.417067 C\n0.147637 0.833877 0.917067 C\n0.852363 0.166123 0.917067 C\n0.166123 0.147637 0.082933 C\n0.833877 0.852363 0.082933 C\n0.352363 0.666123 0.582933 C\n0.647637 0.333877 0.582933 C\n0.333846 0.967205 0.684728 Cl\n0.666154 0.032795 0.684728 Cl\n0.532795 0.833846 0.184728 Cl\n0.467205 0.166154 0.184728 Cl\n0.166154 0.532795 0.815272 Cl\n0.833846 0.467205 0.815272 Cl\n0.967205 0.666154 0.315272 Cl\n0.032795 0.333846 0.315272 Cl\n0.126551 0.121920 0.668858 O\n0.873449 0.878080 0.668858 O\n0.378080 0.626551 0.168858 O\n0.621920 0.373449 0.168858 O\n0.373449 0.378080 0.831142 O\n0.626551 0.621920 0.831142 O\n0.121920 0.873449 0.331142 O\n0.878080 0.126551 0.331142 O\n0.433606 0.203214 0.791377 O\n0.566394 0.796786 0.791377 O\n0.296786 0.933606 0.291377 O\n0.703214 0.066394 0.291377 O\n0.066394 0.296786 0.708623 O\n0.933606 0.703214 0.708623 O\n0.203214 0.566394 0.208623 O\n0.796786 0.433606 0.208623 O\n0.326117 0.214069 0.562965 O\n0.673883 0.785931 0.562965 O\n0.285931 0.826117 0.062965 O\n0.714069 0.173883 0.062965 O\n0.173883 0.285931 0.937035 O\n0.826117 0.714069 0.937035 O\n0.214069 0.673883 0.437035 O\n0.785931 0.326117 0.437035 O\n0.238799 0.112450 0.896432 O\n0.761201 0.887550 0.896432 O\n0.387550 0.738799 0.396432 O\n0.612450 0.261201 0.396432 O\n0.261201 0.387550 0.603568 O\n0.738799 0.612450 0.603568 O\n0.112450 0.761201 0.103568 O\n0.887550 0.238799 0.103568 O\n",
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"volume": 1664.7732443589562,
"volume_molar": 11.93511763215656,
"formula_full": "Cs4 Ru8 C32 Cl8 O32",
"formula_reduced": "CsRu2C8(ClO4)2",
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{
"id": "mp-561008",
"created_at": "2022-09-04T14:46:02.544865Z",
"structure_string": "Ca8 P16 O48\n1.0\n10.155995 6.939334 0.000000\n-10.155995 6.939334 0.000000\n0.000000 0.562569 6.822845\nCa P O\n8 16 48\ndirect\n0.139918 0.520487 0.684765 Ca\n0.640923 0.529370 0.195704 Ca\n0.151614 0.020653 0.189142 Ca\n0.647682 0.029229 0.700533 Ca\n0.029229 0.647682 0.200533 Ca\n0.020653 0.151614 0.689142 Ca\n0.529370 0.640923 0.695704 Ca\n0.520487 0.139918 0.184765 Ca\n0.457295 0.348744 0.504891 P\n0.955795 0.357711 0.022443 P\n0.000014 0.862972 0.567017 P\n0.821278 0.681581 0.822905 P\n0.839567 0.499405 0.538144 P\n0.327315 0.710849 0.359397 P\n0.862972 0.000014 0.067017 P\n0.215302 0.326010 0.364708 P\n0.179396 0.827294 0.835454 P\n0.681581 0.821278 0.322905 P\n0.326010 0.215302 0.864708 P\n0.827294 0.179396 0.335454 P\n0.357711 0.955795 0.522443 P\n0.710849 0.327315 0.859397 P\n0.348744 0.457295 0.004891 P\n0.499405 0.839567 0.038144 P\n0.287887 0.008299 0.403031 O\n0.671277 0.903281 0.469986 O\n0.399154 0.655494 0.466143 O\n0.347681 0.833847 0.444370 O\n0.668436 0.699172 0.396068 O\n0.848150 0.166732 0.549317 O\n0.375020 0.748760 0.132471 O\n0.640449 0.198134 0.860416 O\n0.833847 0.347681 0.944370 O\n0.336414 0.363711 0.467307 O\n0.748760 0.375020 0.632471 O\n0.198134 0.640449 0.360416 O\n0.014207 0.787000 0.410930 O\n0.350972 0.130757 0.005194 O\n0.422109 0.248103 0.680403 O\n0.655494 0.399154 0.966143 O\n0.166732 0.848150 0.049317 O\n0.012777 0.985750 0.499399 O\n0.248103 0.422109 0.180403 O\n0.304495 0.920359 0.745708 O\n0.030961 0.485328 0.025608 O\n0.514604 0.810528 0.829792 O\n0.091931 0.876765 0.730021 O\n0.804681 0.876032 0.192372 O\n0.008299 0.287887 0.903031 O\n0.699172 0.668436 0.896068 O\n0.876765 0.091931 0.230021 O\n0.985750 0.012777 0.999399 O\n0.920359 0.304495 0.245708 O\n0.363711 0.336414 0.967307 O\n0.164441 0.705750 0.788028 O\n0.803491 0.589245 0.659779 O\n0.178077 0.204648 0.298399 O\n0.505698 0.306532 0.331180 O\n0.810528 0.514604 0.329792 O\n0.589245 0.803491 0.159779 O\n0.306532 0.505698 0.831180 O\n0.204648 0.178077 0.798399 O\n0.876032 0.804681 0.692372 O\n0.535488 0.466239 0.565434 O\n0.466239 0.535488 0.065434 O\n0.787000 0.014207 0.910930 O\n0.485328 0.030961 0.525608 O\n0.130757 0.350972 0.505194 O\n0.964385 0.512680 0.560694 O\n0.705750 0.164441 0.288028 O\n0.903281 0.671277 0.969986 O\n0.512680 0.964385 0.060694 O\n",
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{
"id": "mp-26402",
"created_at": "2022-09-04T14:48:29.241037Z",
"structure_string": "Mo4 P16 O52\n1.0\n7.117955 0.000000 0.000000\n0.000000 8.334988 0.000000\n0.000000 0.000000 17.386659\nMo P O\n4 16 52\ndirect\n0.766161 0.775591 0.783500 Mo\n0.733839 0.224409 0.283500 Mo\n0.266161 0.724409 0.216500 Mo\n0.233839 0.275591 0.716500 Mo\n0.897063 0.405623 0.838832 P\n0.898185 0.853754 0.331904 P\n0.602937 0.594377 0.338832 P\n0.918119 0.397837 0.577000 P\n0.068472 0.317737 0.420532 P\n0.081881 0.897837 0.923000 P\n0.101815 0.353754 0.168096 P\n0.102937 0.905623 0.661168 P\n0.397063 0.094377 0.161168 P\n0.398185 0.646246 0.668096 P\n0.931528 0.817737 0.079468 P\n0.431528 0.682263 0.920532 P\n0.568472 0.182263 0.579468 P\n0.581881 0.602163 0.077000 P\n0.601815 0.146246 0.831904 P\n0.418119 0.102163 0.423000 P\n0.969424 0.825800 0.852934 O\n0.996476 0.290868 0.507195 O\n0.929658 0.876673 0.414113 O\n0.926874 0.296046 0.217212 O\n0.003524 0.790868 0.992805 O\n0.030576 0.325800 0.647066 O\n0.070342 0.376673 0.085887 O\n0.073126 0.796046 0.282788 O\n0.070951 0.072188 0.928758 O\n0.080828 0.332333 0.801646 O\n0.107148 0.937168 0.578662 O\n0.106524 0.764126 0.127657 O\n0.143847 0.056625 0.713991 O\n0.147428 0.474258 0.400603 O\n0.173838 0.506154 0.213738 O\n0.208169 0.167435 0.411326 O\n0.247247 0.219415 0.195892 O\n0.252753 0.780585 0.695892 O\n0.892852 0.437168 0.921338 O\n0.326162 0.493846 0.713738 O\n0.352572 0.525742 0.900603 O\n0.356153 0.943375 0.213991 O\n0.393476 0.235874 0.627657 O\n0.392852 0.062832 0.078662 O\n0.419172 0.667667 0.301646 O\n0.429049 0.927812 0.428758 O\n0.426874 0.203954 0.782788 O\n0.429658 0.623327 0.585887 O\n0.469424 0.674200 0.147066 O\n0.496476 0.209132 0.492805 O\n0.503524 0.709132 0.007195 O\n0.530576 0.174200 0.352934 O\n0.570342 0.123327 0.914113 O\n0.573126 0.703954 0.717212 O\n0.570951 0.427812 0.071242 O\n0.580828 0.167667 0.198354 O\n0.607148 0.562832 0.421338 O\n0.606524 0.735874 0.872343 O\n0.643847 0.443375 0.286009 O\n0.647428 0.025742 0.599397 O\n0.673838 0.993846 0.786262 O\n0.708169 0.332565 0.588674 O\n0.747247 0.280585 0.804108 O\n0.752753 0.719415 0.304108 O\n0.791831 0.667435 0.088674 O\n0.826162 0.006154 0.286262 O\n0.852572 0.974258 0.099397 O\n0.856153 0.556625 0.786009 O\n0.893476 0.264126 0.372343 O\n0.929049 0.572188 0.571242 O\n0.919172 0.832333 0.698354 O\n0.291831 0.832565 0.911326 O\n",
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{
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