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{
"id": "mp-558545",
"created_at": "2022-09-04T14:48:08.462608Z",
"structure_string": "C8 S4 N12 Cl12\n1.0\n7.765921 0.000000 0.000000\n0.000000 8.326056 0.000000\n0.000000 1.264525 12.512182\nC S N Cl\n8 4 12 12\ndirect\n0.025341 0.351251 0.159997 C\n0.769347 0.398471 0.239448 C\n0.474659 0.851251 0.159997 C\n0.730653 0.898471 0.239448 C\n0.230653 0.601529 0.760552 C\n0.974659 0.648749 0.840003 C\n0.525341 0.148749 0.840003 C\n0.269347 0.101529 0.760552 C\n0.037122 0.458339 0.339521 S\n0.462878 0.958339 0.339521 S\n0.537122 0.041661 0.660479 S\n0.962878 0.541661 0.660479 S\n0.372232 0.913610 0.229990 N\n0.830566 0.468552 0.321966 N\n0.354073 0.166622 0.838296 N\n0.645927 0.833378 0.161704 N\n0.330566 0.031448 0.678034 N\n0.169434 0.531448 0.678034 N\n0.145927 0.666622 0.838296 N\n0.669434 0.968552 0.321966 N\n0.854073 0.333378 0.161704 N\n0.127768 0.413610 0.229990 N\n0.872232 0.586390 0.770010 N\n0.627768 0.086390 0.770010 N\n0.451675 0.602411 0.771150 Cl\n0.068537 0.236973 0.445113 Cl\n0.048325 0.102411 0.771150 Cl\n0.548325 0.397589 0.228850 Cl\n0.628048 0.209724 0.950191 Cl\n0.931463 0.763027 0.554887 Cl\n0.431463 0.736973 0.445113 Cl\n0.371952 0.790276 0.049809 Cl\n0.128048 0.290276 0.049809 Cl\n0.871952 0.709724 0.950191 Cl\n0.951675 0.897589 0.228850 Cl\n0.568537 0.263027 0.554887 Cl\n",
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{
"id": "mp-1016849",
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"structure_string": "Cd1 Ru1 O3\n1.0\n3.928223 0.000000 0.000000\n0.000000 3.928223 0.000000\n0.000000 0.000000 3.928223\nCd Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "mp-1277216",
"created_at": "2022-09-04T14:47:58.094981Z",
"structure_string": "Sr2 Y2 Co2 O8\n1.0\n3.801023 -0.005918 0.003904\n-0.011706 7.582686 -0.003375\n-1.891421 -1.894937 6.113141\nSr Y Co O\n2 2 2 8\ndirect\n0.646834 0.320293 0.286938 Sr\n0.645681 0.822978 0.290229 Sr\n0.360291 0.678252 0.725097 Y\n0.359875 0.185747 0.721712 Y\n0.997008 0.999749 0.996027 Co\n0.002168 0.502922 0.010557 Co\n0.836798 0.411216 0.671585 O\n0.838510 0.923856 0.678300 O\n0.180510 0.593424 0.364755 O\n0.174028 0.085589 0.349841 O\n0.488844 0.494759 0.980398 O\n0.485910 0.992983 0.971661 O\n0.988456 0.751608 0.973112 O\n0.995087 0.236624 0.979785 O\n",
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"density": 5.643491852813332,
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{
"id": "mp-720406",
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"structure_string": "Na4 B10 H10 O24\n1.0\n6.629415 0.000000 0.000000\n2.659620 8.209057 0.000000\n2.194250 2.470567 9.063852\nNa B H O\n4 10 10 24\ndirect\n0.960768 0.903606 0.365895 Na\n0.039232 0.096394 0.634105 Na\n0.433693 0.585927 0.155390 Na\n0.566307 0.414073 0.844610 Na\n0.854197 0.334295 0.161000 B\n0.145803 0.665705 0.839000 B\n0.181477 0.256415 0.285322 B\n0.818523 0.743585 0.714678 B\n0.846357 0.462778 0.359719 B\n0.153643 0.537222 0.640281 B\n0.374181 0.953310 0.371266 B\n0.625819 0.046690 0.628734 B\n0.581853 0.157866 0.263236 B\n0.418147 0.842134 0.736764 B\n0.841035 0.512601 0.957814 H\n0.158965 0.487399 0.042186 H\n0.814350 0.583621 0.515197 H\n0.185650 0.416379 0.484803 H\n0.495909 0.703379 0.423761 H\n0.504091 0.296621 0.576239 H\n0.718662 0.803372 0.976385 H\n0.281338 0.196628 0.023615 H\n0.078900 0.753279 0.069711 H\n0.921100 0.246721 0.930289 H\n0.785692 0.176973 0.224114 O\n0.214308 0.823027 0.775886 O\n0.790589 0.409292 0.012338 O\n0.209411 0.590708 0.987662 O\n0.088195 0.301577 0.150004 O\n0.911805 0.698423 0.849996 O\n0.747329 0.455416 0.253296 O\n0.252671 0.544584 0.746704 O\n0.733818 0.572265 0.444737 O\n0.266182 0.427735 0.555263 O\n0.051103 0.366327 0.384682 O\n0.948897 0.633673 0.615318 O\n0.186676 0.078947 0.368978 O\n0.813324 0.921053 0.631022 O\n0.398367 0.285484 0.245455 O\n0.601633 0.714516 0.754545 O\n0.355309 0.791472 0.414987 O\n0.644691 0.208528 0.585013 O\n0.574219 0.988776 0.330853 O\n0.425781 0.011224 0.669147 O\n0.589392 0.828918 0.053600 O\n0.410608 0.171082 0.946400 O\n0.027992 0.812053 0.151587 O\n0.972008 0.187947 0.848413 O\n",
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"elements": [
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],
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"density": 2.0001026101227857,
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"formula_full": "Na4 B10 H10 O24",
"formula_reduced": "Na2B5H5O12",
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{
"id": "mp-1196159",
"created_at": "2022-09-04T14:48:08.612520Z",
"structure_string": "Tm10 Co8 Si28\n1.0\n7.790310 0.000000 0.000000\n0.000000 7.712230 0.000000\n0.000000 1.889644 12.175158\nTm Co Si\n10 8 28\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.251756 0.157693 0.864934 Tm\n0.751756 0.342307 0.135066 Tm\n0.748244 0.842307 0.135066 Tm\n0.248244 0.657693 0.864934 Tm\n0.248941 0.839715 0.134834 Tm\n0.748941 0.660285 0.865166 Tm\n0.751059 0.160285 0.865166 Tm\n0.251059 0.339715 0.134834 Tm\n0.373735 0.872694 0.499768 Co\n0.873735 0.627306 0.500232 Co\n0.626265 0.127306 0.500232 Co\n0.126265 0.372694 0.499768 Co\n0.999804 0.938988 0.749959 Co\n0.499804 0.561012 0.250041 Co\n0.000196 0.061012 0.250041 Co\n0.500196 0.438988 0.749959 Co\n0.666220 0.834042 0.499485 Si\n0.166220 0.665958 0.500515 Si\n0.333780 0.165958 0.500515 Si\n0.833780 0.334042 0.499485 Si\n0.725815 0.961299 0.678406 Si\n0.225815 0.538701 0.321594 Si\n0.274185 0.038701 0.321594 Si\n0.774185 0.461299 0.678406 Si\n0.994578 0.768579 0.321815 Si\n0.494578 0.731421 0.678185 Si\n0.005422 0.231421 0.678185 Si\n0.505422 0.268579 0.321815 Si\n0.273925 0.950049 0.678290 Si\n0.773925 0.549951 0.321710 Si\n0.726075 0.049951 0.321710 Si\n0.226075 0.450049 0.678290 Si\n0.994397 0.681313 0.678668 Si\n0.494397 0.818687 0.321332 Si\n0.005603 0.318687 0.321332 Si\n0.505603 0.181313 0.678668 Si\n0.499872 0.889005 0.940245 Si\n0.999872 0.610995 0.059755 Si\n0.500128 0.110995 0.059755 Si\n0.000128 0.389005 0.940245 Si\n0.000708 0.890559 0.940314 Si\n0.500708 0.609441 0.059686 Si\n0.999292 0.109441 0.059686 Si\n0.499292 0.390559 0.940314 Si\n",
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"formula_full": "Tm10 Co8 Si28",
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{
"id": "mp-754339",
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"structure_string": "Li1 Sb1 Te2 W1 O12\n1.0\n5.149446 0.000000 0.000000\n-0.008202 5.342189 0.000000\n-0.023958 -0.391112 7.426135\nLi Sb Te W O\n1 1 2 1 12\ndirect\n0.998942 0.474329 0.762206 Li\n0.498569 0.506808 0.492215 Sb\n0.502434 0.508608 0.000377 Te\n0.000138 0.002845 0.495231 Te\n0.002562 0.009796 0.001210 W\n0.308202 0.186471 0.433379 O\n0.104479 0.010110 0.750217 O\n0.305074 0.814046 0.052000 O\n0.174503 0.690992 0.437709 O\n0.808536 0.697784 0.934021 O\n0.373863 0.508340 0.754379 O\n0.630342 0.507488 0.240208 O\n0.192896 0.317420 0.049908 O\n0.818632 0.315341 0.559253 O\n0.700956 0.207467 0.938100 O\n0.884917 0.008390 0.243937 O\n0.694956 0.819365 0.562847 O\n",
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"formula_full": "Li1 Sb1 Te2 W1 O12",
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{
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"structure_string": "Li6 V2 O4 F4\n1.0\n5.970592 0.000000 0.000000\n0.000000 5.010062 0.000000\n0.000000 1.561105 4.873764\nLi V O F\n6 2 4 4\ndirect\n0.114687 0.250000 0.500000 Li\n0.641396 0.250000 0.500000 Li\n0.375080 0.250000 0.000000 Li\n0.358604 0.750000 0.500000 Li\n0.885313 0.750000 0.500000 Li\n0.624920 0.750000 0.000000 Li\n0.901643 0.250000 0.000000 V\n0.098357 0.750000 0.000000 V\n0.870780 0.003604 0.762857 O\n0.870780 0.496396 0.237143 O\n0.129220 0.503604 0.762857 O\n0.129220 0.996396 0.237143 O\n0.628676 0.007335 0.244962 F\n0.371324 0.507335 0.244962 F\n0.628676 0.492665 0.755038 F\n0.371324 0.992665 0.755038 F\n",
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"formula_full": "Li6 V2 O4 F4",
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{
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"structure_string": "Nd3 Si3 B3 O15\n1.0\n3.436517 -5.952222 0.000000\n3.436517 5.952222 0.000000\n0.000000 0.000000 6.701119\nNd Si B O\n3 3 3 15\ndirect\n0.747710 0.665491 0.664045 Nd\n0.334509 0.082218 0.997378 Nd\n0.917782 0.252290 0.330711 Nd\n0.752228 0.667272 0.162115 Si\n0.332728 0.084956 0.495448 Si\n0.915044 0.247772 0.828781 Si\n0.232617 0.680812 0.690851 B\n0.319188 0.551805 0.024184 B\n0.448195 0.767383 0.357517 B\n0.684677 0.824064 0.305898 O\n0.175936 0.860613 0.639231 O\n0.139387 0.315323 0.972565 O\n0.474411 0.000508 0.348615 O\n0.999492 0.473903 0.681948 O\n0.526097 0.525589 0.015281 O\n0.794676 0.522683 0.329894 O\n0.477317 0.271993 0.663227 O\n0.728007 0.205324 0.996560 O\n0.196649 0.140484 0.330278 O\n0.859516 0.056164 0.663611 O\n0.943836 0.803351 0.996945 O\n0.327140 0.721994 0.890370 O\n0.278006 0.605146 0.223703 O\n0.394854 0.672860 0.557036 O\n",
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{
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"structure_string": "Zn1 Cu2 Sn1 S4\n1.0\n-2.731768 2.731768 5.452123\n2.731768 -2.731768 5.452123\n2.731768 2.731768 -5.452123\nZn Cu Sn S\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.362817 0.371476 0.475987 S\n0.895489 0.886831 0.524013 S\n0.113169 0.637183 0.008658 S\n0.628524 0.104511 0.991342 S\n",
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{
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{
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}