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{
"id": "mp-707327",
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"structure_string": "Na8 Sn4 H52 Se12 O26\n1.0\n7.279602 0.000000 0.000000\n3.115570 10.008539 0.000000\n1.185936 3.535900 18.629117\nNa Sn H Se O\n8 4 52 12 26\ndirect\n0.511682 0.493231 0.905593 Na\n0.488318 0.506769 0.094407 Na\n0.205444 0.817218 0.793637 Na\n0.794556 0.182782 0.206363 Na\n0.831912 0.088796 0.705057 Na\n0.168088 0.911204 0.294943 Na\n0.384002 0.994985 0.591173 Na\n0.615998 0.005015 0.408827 Na\n0.886046 0.866904 0.011982 Sn\n0.113954 0.133096 0.988018 Sn\n0.315258 0.564920 0.560549 Sn\n0.684742 0.435080 0.439451 Sn\n0.220648 0.432984 0.021195 H\n0.779352 0.567016 0.978805 H\n0.156660 0.580887 0.975725 H\n0.843340 0.419113 0.024275 H\n0.761498 0.386348 0.796440 H\n0.238502 0.613652 0.203560 H\n0.917728 0.383411 0.851153 H\n0.082272 0.616589 0.148847 H\n0.315608 0.527737 0.757771 H\n0.684392 0.472263 0.242229 H\n0.188682 0.528453 0.824722 H\n0.811318 0.471547 0.175278 H\n0.570884 0.755223 0.889606 H\n0.429116 0.244777 0.110394 H\n0.375562 0.784349 0.930418 H\n0.624438 0.215651 0.069582 H\n0.911542 0.782182 0.711499 H\n0.088458 0.217818 0.288501 H\n0.040394 0.841851 0.653501 H\n0.959606 0.158149 0.346499 H\n0.559915 0.788429 0.709195 H\n0.440085 0.211571 0.290805 H\n0.501923 0.925954 0.737468 H\n0.498077 0.074046 0.262532 H\n0.121877 0.108370 0.815443 H\n0.878123 0.891630 0.184557 H\n0.948862 0.057633 0.844192 H\n0.051138 0.942367 0.155808 H\n0.504131 0.078535 0.818213 H\n0.495869 0.921465 0.181787 H\n0.679495 0.945820 0.830264 H\n0.320505 0.054180 0.169736 H\n0.722404 0.374079 0.676789 H\n0.277596 0.625921 0.323211 H\n0.550912 0.338116 0.718473 H\n0.449088 0.661884 0.281527 H\n0.998243 0.188291 0.570660 H\n0.001757 0.811709 0.429340 H\n0.097681 0.242802 0.625212 H\n0.902319 0.757198 0.374788 H\n0.629182 0.165441 0.568541 H\n0.370818 0.834559 0.431459 H\n0.475994 0.225315 0.625802 H\n0.524006 0.774685 0.374198 H\n0.803636 0.853618 0.543484 H\n0.196364 0.146382 0.456516 H\n0.665582 0.769743 0.534600 H\n0.334418 0.230257 0.465400 H\n0.845410 0.603977 0.681529 H\n0.154590 0.396023 0.318471 H\n0.783239 0.577625 0.762280 H\n0.216761 0.422375 0.237720 H\n0.238669 0.869864 0.035665 Se\n0.761331 0.130136 0.964335 Se\n0.754467 0.760288 0.126012 Se\n0.245533 0.239712 0.873988 Se\n0.891050 0.745006 0.909277 Se\n0.108950 0.254994 0.090723 Se\n0.690357 0.528450 0.557937 Se\n0.309643 0.471550 0.442063 Se\n0.229429 0.412427 0.667972 Se\n0.770571 0.587573 0.332028 Se\n0.149343 0.816130 0.536360 Se\n0.850657 0.183870 0.463640 Se\n0.271029 0.509916 0.998407 O\n0.728971 0.490084 0.001593 O\n0.790943 0.439704 0.829907 O\n0.209057 0.560296 0.170093 O\n0.291592 0.565260 0.802458 O\n0.708408 0.434740 0.197542 O\n0.441382 0.742346 0.889816 O\n0.558618 0.257654 0.110184 O\n0.981634 0.851406 0.701358 O\n0.018366 0.148594 0.298642 O\n0.449578 0.869482 0.712358 O\n0.550422 0.130518 0.287642 O\n0.045961 0.048557 0.805813 O\n0.954039 0.951443 0.194187 O\n0.604959 0.017920 0.792288 O\n0.395041 0.982080 0.207712 O\n0.691129 0.323791 0.723441 O\n0.308871 0.676209 0.276559 O\n0.065661 0.161486 0.617518 O\n0.934339 0.838514 0.382482 O\n0.568718 0.140600 0.615335 O\n0.431282 0.859400 0.384665 O\n0.667812 0.864133 0.532980 O\n0.332188 0.135867 0.467020 O\n0.776556 0.651807 0.719357 O\n0.223444 0.348193 0.280643 O\n",
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"density": 2.5382165428714787,
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"volume_molar": 8.013483044912892,
"formula_full": "Na8 Sn4 H52 Se12 O26",
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},
{
"id": "mp-1205210",
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{
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"structure_string": "Pr1 Si2 Ru2\n1.0\n-2.116442 2.116442 4.951078\n2.116442 -2.116442 4.951078\n2.116442 2.116442 -4.951078\nPr Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.636868 0.636868 0.000000 Si\n0.363132 0.363132 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
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"structure_string": "Bi4 B12 O24\n1.0\n4.324771 0.000000 0.000000\n0.000000 4.504883 0.000000\n0.000000 0.000000 18.615631\nBi B O\n4 12 24\ndirect\n0.302468 0.156717 0.337571 Bi\n0.802468 0.843283 0.662429 Bi\n0.802468 0.156717 0.162429 Bi\n0.302468 0.843283 0.837571 Bi\n0.355826 0.327891 0.572348 B\n0.384249 0.824909 0.498498 B\n0.331410 0.364075 0.712797 B\n0.855826 0.672109 0.427652 B\n0.331410 0.635925 0.212797 B\n0.855826 0.327891 0.927652 B\n0.831410 0.635925 0.287203 B\n0.355826 0.672109 0.072348 B\n0.831410 0.364075 0.787203 B\n0.884249 0.824909 0.001502 B\n0.884249 0.175091 0.501502 B\n0.384249 0.175091 0.998498 B\n0.029857 0.872931 0.481672 O\n0.430358 0.637775 0.560188 O\n0.529857 0.872931 0.018328 O\n0.463884 0.756422 0.145798 O\n0.529857 0.127069 0.518328 O\n0.835808 0.688747 0.788409 O\n0.430358 0.362225 0.060188 O\n0.526562 0.738108 0.432239 O\n0.463884 0.243578 0.645798 O\n0.029857 0.127069 0.981672 O\n0.513676 0.748041 0.275411 O\n0.026562 0.738108 0.067761 O\n0.835808 0.311253 0.288409 O\n0.013676 0.748041 0.224589 O\n0.526562 0.261892 0.932239 O\n0.930358 0.362225 0.439812 O\n0.026562 0.261892 0.567761 O\n0.013676 0.251959 0.724589 O\n0.930358 0.637775 0.939812 O\n0.513676 0.251959 0.775411 O\n0.335808 0.688747 0.711591 O\n0.963884 0.243578 0.854202 O\n0.335808 0.311253 0.211591 O\n0.963884 0.756422 0.354202 O\n",
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{
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"structure_string": "Ti6 O1\n1.0\n2.556626 -4.428206 0.000000\n2.556626 4.428206 0.000000\n0.000000 0.000000 4.749709\nTi O\n6 1\ndirect\n0.668405 0.668405 0.260842 Ti\n0.000000 0.668405 0.739158 Ti\n0.668405 0.000000 0.739158 Ti\n0.331595 0.331595 0.739158 Ti\n0.000000 0.331595 0.260842 Ti\n0.331595 0.000000 0.260842 Ti\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ti6 O1",
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{
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{
"id": "mp-1193123",
"created_at": "2022-09-04T14:43:52.012824Z",
"structure_string": "La4 Sn16 Rh8\n1.0\n4.592811 0.000000 0.000000\n0.000000 7.217325 0.000000\n0.000000 0.000000 18.722519\nLa Sn Rh\n4 16 8\ndirect\n0.250000 0.998413 0.858096 La\n0.250000 0.501587 0.358096 La\n0.750000 0.001587 0.141904 La\n0.750000 0.498413 0.641904 La\n0.250000 0.304518 0.182076 Sn\n0.250000 0.195482 0.682076 Sn\n0.750000 0.695482 0.817924 Sn\n0.750000 0.804518 0.317924 Sn\n0.250000 0.720826 0.194332 Sn\n0.250000 0.779174 0.694332 Sn\n0.750000 0.279174 0.805668 Sn\n0.750000 0.220826 0.305668 Sn\n0.250000 0.861680 0.030935 Sn\n0.250000 0.638320 0.530935 Sn\n0.750000 0.138320 0.969065 Sn\n0.750000 0.361680 0.469065 Sn\n0.250000 0.515522 0.931717 Sn\n0.250000 0.984478 0.431717 Sn\n0.750000 0.484478 0.068283 Sn\n0.750000 0.015522 0.568283 Sn\n0.250000 0.249380 0.034705 Rh\n0.250000 0.250620 0.534705 Rh\n0.750000 0.750620 0.965295 Rh\n0.750000 0.749380 0.465295 Rh\n0.250000 0.018170 0.286470 Rh\n0.250000 0.481830 0.786470 Rh\n0.750000 0.981830 0.713530 Rh\n0.750000 0.518170 0.213530 Rh\n",
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