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{
"id": "mp-1215568",
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"structure_string": "Zr10 Ir4 Os2\n1.0\n4.020254 -6.981585 0.000000\n4.020254 6.981585 0.000000\n0.000000 0.000000 5.586268\nZr Ir Os\n10 4 2\ndirect\n0.666512 0.332538 0.250777 Zr\n0.332538 0.666512 0.250777 Zr\n0.332538 0.666512 0.749223 Zr\n0.666512 0.332538 0.749223 Zr\n0.760928 0.004793 0.500000 Zr\n0.004793 0.760928 0.500000 Zr\n0.240237 0.240237 0.500000 Zr\n0.240653 0.998952 0.000000 Zr\n0.998952 0.240653 0.000000 Zr\n0.757457 0.757457 0.000000 Zr\n0.600608 0.600608 0.500000 Ir\n0.600415 0.999010 0.000000 Ir\n0.999010 0.600415 0.000000 Ir\n0.398724 0.398724 0.000000 Ir\n0.400686 0.999606 0.500000 Os\n0.999606 0.400686 0.500000 Os\n",
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{
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"elements": [
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"formula_full": "Li4 Bi12 O20",
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},
{
"id": "mp-1186147",
"created_at": "2022-09-04T14:47:16.368324Z",
"structure_string": "Np1 Cd1\n1.0\n2.846398 0.004374 -0.001006\n-1.419413 2.471414 0.000967\n-0.001754 0.000934 5.832155\nNp Cd\n1 1\ndirect\n0.333334 0.666695 0.250000 Np\n0.666665 0.333303 0.750001 Cd\n",
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{
"id": "mp-1201858",
"created_at": "2022-09-04T14:47:03.770731Z",
"structure_string": "Cs8 Bi4 P4 W4 O32\n1.0\n-3.623381 6.431006 10.929058\n3.623381 -6.431006 10.929058\n3.623381 6.431006 -10.929058\nCs Bi P W O\n8 4 4 4 32\ndirect\n0.243053 0.689417 0.615468 Cs\n0.573949 0.627585 0.884532 Cs\n0.926051 0.810583 0.053636 Cs\n0.256947 0.872415 0.446364 Cs\n0.756947 0.310583 0.384532 Cs\n0.426051 0.372415 0.115468 Cs\n0.073949 0.189417 0.946364 Cs\n0.743053 0.127585 0.553636 Cs\n0.838834 0.750000 0.588834 Bi\n0.661166 0.250000 0.911166 Bi\n0.161166 0.250000 0.411166 Bi\n0.338834 0.750000 0.088834 Bi\n0.073356 0.750000 0.823356 P\n0.426644 0.250000 0.676644 P\n0.926644 0.250000 0.176644 P\n0.573356 0.750000 0.323356 P\n0.906004 0.656004 0.250000 W\n0.593996 0.843996 0.750000 W\n0.093996 0.343996 0.750000 W\n0.406004 0.156004 0.250000 W\n0.155612 0.588720 0.728316 O\n0.360403 0.427296 0.771684 O\n0.139597 0.911280 0.066892 O\n0.344388 0.072704 0.433108 O\n0.844388 0.411280 0.271684 O\n0.639597 0.572704 0.228316 O\n0.860403 0.088720 0.933108 O\n0.655612 0.927296 0.566892 O\n0.942928 0.673466 0.728246 O\n0.445220 0.214681 0.771754 O\n0.054780 0.826534 0.769462 O\n0.557072 0.285319 0.730538 O\n0.057072 0.326534 0.271754 O\n0.554780 0.785319 0.228246 O\n0.945220 0.173466 0.230538 O\n0.442928 0.714681 0.269462 O\n0.894911 0.807751 0.485139 O\n0.822612 0.409772 0.014861 O\n0.677388 0.692249 0.587160 O\n0.605089 0.090228 0.912840 O\n0.105089 0.192249 0.514861 O\n0.177388 0.590228 0.985139 O\n0.322612 0.307751 0.412840 O\n0.394911 0.909772 0.087160 O\n0.844228 0.767405 0.204494 O\n0.062911 0.639734 0.295506 O\n0.437089 0.732595 0.576823 O\n0.655772 0.860266 0.923177 O\n0.155772 0.232595 0.795506 O\n0.937089 0.360266 0.704494 O\n0.562911 0.267405 0.423177 O\n0.344228 0.139734 0.076823 O\n",
"nsites": 52,
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"elements": [
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"density": 5.331071082040248,
"density_atomic": 0.05104670381739795,
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"formula_full": "Cs8 Bi4 P4 W4 O32",
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"spacegroup": 73
},
{
"id": "mp-16988",
"created_at": "2022-09-04T14:47:04.416741Z",
"structure_string": "Sr3 Cu6 Sn3 S12\n1.0\n3.173291 -5.496302 0.000000\n3.173291 5.496302 0.000000\n0.000000 0.000000 15.591788\nSr Cu Sn S\n3 6 3 12\ndirect\n0.562144 0.000000 0.833333 Sr\n0.000000 0.562144 0.166667 Sr\n0.437856 0.437856 0.500000 Sr\n0.436505 0.363840 0.254545 Cu\n0.563495 0.927335 0.078788 Cu\n0.363840 0.436505 0.745455 Cu\n0.636160 0.072665 0.587878 Cu\n0.927335 0.563495 0.921212 Cu\n0.072665 0.636160 0.412122 Cu\n0.704893 0.000000 0.333333 Sn\n0.295107 0.295107 0.000000 Sn\n0.000000 0.704893 0.666667 Sn\n0.763817 0.646680 0.337993 S\n0.882863 0.236183 0.004659 S\n0.353320 0.117137 0.671326 S\n0.117137 0.353320 0.328674 S\n0.236183 0.882863 0.995341 S\n0.646680 0.763817 0.662007 S\n0.954786 0.440973 0.546119 S\n0.486187 0.045214 0.212785 S\n0.045214 0.486187 0.787215 S\n0.440973 0.954786 0.453881 S\n0.513813 0.559027 0.120548 S\n0.559027 0.513813 0.879452 S\n",
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"density": 4.228700144982886,
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"formula_full": "Sr3 Cu6 Sn3 S12",
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{
"id": "mp-1021999",
"created_at": "2022-09-04T14:47:04.675690Z",
"structure_string": "Li2 Mg12 Ni2\n1.0\n4.868048 0.000000 0.000000\n0.000000 6.249851 0.000000\n0.000000 0.000000 10.489370\nLi Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.833896 Li\n0.500000 0.000000 0.333896 Li\n0.500000 0.249858 0.084282 Mg\n0.500000 0.750142 0.084282 Mg\n0.000000 0.239394 0.910410 Mg\n0.000000 0.760606 0.910410 Mg\n0.000000 0.500000 0.174553 Mg\n0.000000 0.500000 0.668543 Mg\n0.500000 0.749858 0.584282 Mg\n0.500000 0.250142 0.584282 Mg\n0.000000 0.739394 0.410410 Mg\n0.000000 0.260606 0.410410 Mg\n0.000000 0.000000 0.674553 Mg\n0.000000 0.000000 0.168543 Mg\n0.500000 0.500000 0.333627 Ni\n0.500000 0.000000 0.833627 Ni\n",
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{
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"structure_string": "Co4 Sn2 O8\n1.0\n-3.043619 3.152567 4.392038\n3.043619 -3.152567 4.392038\n3.043619 3.152567 -4.392038\nCo Sn O\n4 2 8\ndirect\n0.111806 0.861806 0.250000 Co\n0.888194 0.138194 0.750000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.748258 0.265026 0.016768 O\n0.748258 0.731490 0.483232 O\n0.746636 0.264741 0.481895 O\n0.282846 0.264741 0.018105 O\n0.717154 0.735259 0.981895 O\n0.253364 0.735259 0.518105 O\n0.251742 0.268510 0.516768 O\n0.251742 0.734974 0.983232 O\n",
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{
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{
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"structure_string": "Ca3 Y9 Al18 Cr1 Si1 O48\n1.0\n10.499296 0.000000 0.000000\n-3.515298 9.895958 0.000000\n-3.474121 -4.923355 8.603483\nCa Y Al Cr Si O\n3 9 18 1 1 48\ndirect\n0.117974 0.870943 0.242291 Ca\n0.627923 0.252410 0.878030 Ca\n0.245053 0.617792 0.373065 Ca\n0.368536 0.742920 0.119292 Y\n0.754581 0.380775 0.627850 Y\n0.881449 0.130575 0.758585 Y\n0.748082 0.875435 0.121062 Y\n0.624749 0.372335 0.247954 Y\n0.874928 0.754114 0.629298 Y\n0.126652 0.248756 0.371612 Y\n0.373803 0.624513 0.747197 Y\n0.253598 0.127345 0.876580 Y\n0.373447 0.128047 0.251093 Al\n0.251295 0.377498 0.127053 Al\n0.498961 0.499539 0.498754 Al\n0.123731 0.748504 0.873611 Al\n0.750520 0.125697 0.371952 Al\n0.629499 0.750819 0.374061 Al\n0.001853 0.000746 0.002573 Al\n0.125458 0.374797 0.749744 Al\n0.001230 0.001038 0.502840 Al\n0.499244 0.501441 0.998986 Al\n0.004125 0.498364 0.498973 Al\n0.371172 0.249754 0.627970 Al\n0.873205 0.250290 0.124218 Al\n0.248973 0.872130 0.629853 Al\n0.500331 0.001815 0.000531 Al\n0.749960 0.625316 0.874736 Al\n0.626174 0.871070 0.749775 Al\n0.997397 0.497834 0.998175 Al\n0.495689 0.998663 0.499240 Cr\n0.874853 0.626518 0.249919 Si\n0.116220 0.694403 0.015702 O\n0.522679 0.320806 0.402751 O\n0.700069 0.581355 0.678958 O\n0.387422 0.982876 0.303749 O\n0.198751 0.520359 0.116129 O\n0.487579 0.809538 0.383388 O\n0.697668 0.119180 0.518556 O\n0.597494 0.981108 0.179576 O\n0.979194 0.600225 0.675161 O\n0.802499 0.322728 0.421201 O\n0.822322 0.921572 0.801255 O\n0.404416 0.383531 0.082209 O\n0.978680 0.380688 0.796969 O\n0.621022 0.599971 0.419009 O\n0.577784 0.699418 0.178178 O\n0.418255 0.119188 0.100171 O\n0.821350 0.903509 0.521594 O\n0.101556 0.180555 0.981030 O\n0.898305 0.075477 0.379321 O\n0.320275 0.799912 0.920259 O\n0.119264 0.418223 0.598911 O\n0.080634 0.179797 0.701237 O\n0.691068 0.497478 0.112001 O\n0.080404 0.900607 0.881918 O\n0.918223 0.098449 0.117151 O\n0.319962 0.519674 0.900372 O\n0.911033 0.807546 0.301565 O\n0.885436 0.584508 0.392176 O\n0.679540 0.201787 0.085863 O\n0.098594 0.918598 0.618891 O\n0.895943 0.821287 0.015938 O\n0.177322 0.099367 0.484514 O\n0.581560 0.882896 0.901229 O\n0.420783 0.303390 0.823618 O\n0.382542 0.399874 0.581344 O\n0.002044 0.610921 0.196283 O\n0.598291 0.618668 0.919380 O\n0.179976 0.082557 0.199802 O\n0.198978 0.678759 0.583135 O\n0.015546 0.395002 0.320735 O\n0.398226 0.015317 0.821744 O\n0.310884 0.890252 0.490442 O\n0.513894 0.193838 0.609629 O\n0.802645 0.482248 0.879008 O\n0.616472 0.012658 0.690480 O\n0.302617 0.415030 0.319811 O\n0.484883 0.678486 0.601425 O\n0.885250 0.298589 0.979354 O\n",
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