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{
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{
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"structure_string": "Na8 Ca4 Sn8 Ge12 O48\n1.0\n-6.301958 6.301958 6.330331\n6.301958 -6.301958 6.330331\n6.301958 6.301958 -6.330331\nNa Ca Sn Ge O\n8 4 8 12 48\ndirect\n0.251098 0.375000 0.376098 Na\n0.125000 0.748902 0.123902 Na\n0.625000 0.001098 0.876098 Na\n0.751098 0.375000 0.876098 Na\n0.125000 0.248902 0.623902 Na\n0.998902 0.875000 0.623902 Na\n0.625000 0.501098 0.376098 Na\n0.498902 0.875000 0.123902 Na\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.750000 0.750000 0.000000 Ca\n0.250000 0.250000 0.000000 Ca\n0.875000 0.125000 0.750000 Sn\n0.875000 0.625000 0.750000 Sn\n0.875000 0.625000 0.250000 Sn\n0.875000 0.125000 0.250000 Sn\n0.375000 0.125000 0.750000 Sn\n0.375000 0.625000 0.750000 Sn\n0.375000 0.625000 0.250000 Sn\n0.375000 0.125000 0.250000 Sn\n0.625000 0.749720 0.624720 Ge\n0.000000 0.000000 0.000000 Ge\n0.999720 0.375000 0.124720 Ge\n0.499720 0.375000 0.624720 Ge\n0.250000 0.750000 0.500000 Ge\n0.125000 0.000280 0.375280 Ge\n0.625000 0.249720 0.124720 Ge\n0.750280 0.875000 0.375280 Ge\n0.500000 0.500000 0.000000 Ge\n0.250280 0.875000 0.875280 Ge\n0.750000 0.250000 0.500000 Ge\n0.125000 0.500280 0.875280 Ge\n0.462422 0.327855 0.438843 O\n0.668881 0.936463 0.661625 O\n0.752545 0.206719 0.643981 O\n0.476420 0.610987 0.438843 O\n0.187262 0.141437 0.143981 O\n0.186463 0.418881 0.161625 O\n0.293281 0.747455 0.356019 O\n0.252544 0.608563 0.545826 O\n0.391437 0.937262 0.643981 O\n0.492744 0.225162 0.661625 O\n0.858563 0.002544 0.045826 O\n0.976420 0.537578 0.865433 O\n0.274838 0.007256 0.338375 O\n0.860987 0.226420 0.938843 O\n0.992744 0.331119 0.267582 O\n0.962422 0.523580 0.134567 O\n0.581119 0.742744 0.767582 O\n0.956719 0.812738 0.954174 O\n0.360987 0.422145 0.634567 O\n0.062738 0.706719 0.454174 O\n0.172145 0.037578 0.561157 O\n0.975162 0.813537 0.232418 O\n0.672145 0.110987 0.134567 O\n0.686463 0.524838 0.767582 O\n0.063537 0.725162 0.732418 O\n0.077855 0.139013 0.365433 O\n0.774838 0.436463 0.267582 O\n0.577855 0.212422 0.938843 O\n0.687262 0.543281 0.045826 O\n0.389013 0.827855 0.865433 O\n0.793281 0.437262 0.545826 O\n0.168881 0.507256 0.732418 O\n0.787578 0.726420 0.365433 O\n0.757256 0.918881 0.232418 O\n0.889013 0.023580 0.561157 O\n0.475162 0.242744 0.161625 O\n0.773580 0.712422 0.634567 O\n0.891437 0.247456 0.454174 O\n0.257256 0.024838 0.838375 O\n0.358563 0.312738 0.856019 O\n0.497456 0.641437 0.954174 O\n0.456719 0.502544 0.143981 O\n0.563537 0.831119 0.338375 O\n0.562738 0.108563 0.356019 O\n0.273580 0.639013 0.061157 O\n0.081119 0.313537 0.838375 O\n0.997456 0.043281 0.856019 O\n0.287578 0.922145 0.061157 O\n",
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"density": 4.844030332941913,
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"formula_full": "Na8 Ca4 Sn8 Ge12 O48",
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{
"id": "mp-768785",
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"structure_string": "Li2 Sn4 S6 O24\n1.0\n8.152920 -4.603914 0.000000\n8.152920 4.603914 0.000000\n5.553113 0.000000 7.538505\nLi Sn S O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.353055 0.353055 0.353055 Sn\n0.146945 0.146945 0.146945 Sn\n0.646945 0.646945 0.646945 Sn\n0.853055 0.853055 0.853055 Sn\n0.750000 0.063164 0.436836 S\n0.936836 0.563164 0.250000 S\n0.563164 0.250000 0.936836 S\n0.436836 0.750000 0.063164 S\n0.063164 0.436836 0.750000 S\n0.250000 0.936836 0.563164 S\n0.893200 0.072851 0.257077 O\n0.742923 0.106800 0.927149 O\n0.931468 0.482852 0.677300 O\n0.017148 0.568532 0.822700 O\n0.606800 0.242923 0.427149 O\n0.757077 0.572851 0.393200 O\n0.927149 0.742923 0.106800 O\n0.177300 0.982852 0.431468 O\n0.517148 0.322700 0.068532 O\n0.322700 0.068532 0.517148 O\n0.431468 0.177300 0.982852 O\n0.572851 0.393200 0.757077 O\n0.427149 0.606800 0.242923 O\n0.677300 0.931468 0.482852 O\n0.568532 0.822700 0.017148 O\n0.822700 0.017148 0.568532 O\n0.482852 0.677300 0.931468 O\n0.072851 0.257077 0.893200 O\n0.242923 0.427149 0.606800 O\n0.393200 0.757077 0.572851 O\n0.068532 0.517148 0.322700 O\n0.982852 0.431468 0.177300 O\n0.257077 0.893200 0.072851 O\n0.106800 0.927149 0.742923 O\n",
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"formula_full": "Li2 Sn4 S6 O24",
"formula_reduced": "LiSn2(SO4)3",
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{
"id": "mp-1186774",
"created_at": "2022-09-04T14:42:18.403035Z",
"structure_string": "Sr1 Yb3\n1.0\n5.586969 0.000000 0.000000\n0.000000 5.586969 0.000000\n0.000000 0.000000 5.586969\nSr Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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{
"id": "mp-1040945",
"created_at": "2022-09-04T14:42:19.142640Z",
"structure_string": "Ta8 Zn4 Cu8 O32\n1.0\n8.683928 0.000000 0.000000\n0.000000 6.656678 0.000000\n0.000000 0.412938 12.263518\nTa Zn Cu O\n8 4 8 32\ndirect\n0.545338 0.902706 0.844227 Ta\n0.954662 0.902706 0.344227 Ta\n0.911730 0.388255 0.135704 Ta\n0.045338 0.097294 0.655773 Ta\n0.088270 0.611745 0.864296 Ta\n0.411730 0.611745 0.364296 Ta\n0.588270 0.388255 0.635704 Ta\n0.454662 0.097294 0.155773 Ta\n0.836620 0.891380 0.052469 Zn\n0.163380 0.108620 0.947531 Zn\n0.336620 0.108620 0.447531 Zn\n0.663380 0.891380 0.552469 Zn\n0.815592 0.234728 0.877215 Cu\n0.941132 0.624450 0.623972 Cu\n0.058868 0.375550 0.376028 Cu\n0.184408 0.765272 0.122785 Cu\n0.684408 0.234728 0.377215 Cu\n0.558868 0.624450 0.123972 Cu\n0.315592 0.765272 0.622785 Cu\n0.441132 0.375550 0.876028 Cu\n0.756670 0.962536 0.400413 O\n0.984067 0.346506 0.601544 O\n0.419999 0.811222 0.472126 O\n0.919999 0.188778 0.027874 O\n0.743330 0.962536 0.900413 O\n0.243330 0.037464 0.599587 O\n0.892991 0.910880 0.613101 O\n0.102295 0.500548 0.138395 O\n0.397705 0.500548 0.638395 O\n0.127532 0.700396 0.716221 O\n0.627532 0.299604 0.783779 O\n0.897705 0.499452 0.861605 O\n0.107009 0.089120 0.386899 O\n0.456171 0.117324 0.305342 O\n0.722513 0.589376 0.586457 O\n0.777487 0.589376 0.086457 O\n0.956171 0.882676 0.194658 O\n0.602295 0.499452 0.361605 O\n0.543829 0.882676 0.694658 O\n0.580001 0.188778 0.527874 O\n0.515933 0.346506 0.101544 O\n0.872468 0.299604 0.283779 O\n0.256670 0.037464 0.099587 O\n0.607009 0.910880 0.113101 O\n0.080001 0.811222 0.972126 O\n0.222513 0.410624 0.913543 O\n0.015933 0.653494 0.398456 O\n0.484067 0.653494 0.898456 O\n0.392991 0.089120 0.886899 O\n0.277487 0.410624 0.413543 O\n0.372468 0.700396 0.216221 O\n0.043829 0.117324 0.805342 O\n",
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{
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"created_at": "2022-09-04T14:42:19.145099Z",
"structure_string": "Tc4 Br12\n1.0\n6.056741 0.000000 0.000000\n0.000000 7.112984 0.000000\n0.000000 0.000000 12.305900\nTc Br\n4 12\ndirect\n0.777264 0.754068 0.000000 Tc\n0.222736 0.754068 0.000000 Tc\n0.277264 0.245932 0.500000 Tc\n0.722736 0.245932 0.500000 Tc\n0.500000 0.944483 0.500000 Br\n0.500000 0.889835 0.863627 Br\n0.500000 0.889835 0.136373 Br\n0.000000 0.604871 0.848203 Br\n0.000000 0.604871 0.151797 Br\n0.000000 0.518728 0.500000 Br\n0.500000 0.481272 0.000000 Br\n0.500000 0.395129 0.348203 Br\n0.500000 0.395129 0.651797 Br\n0.000000 0.110165 0.363627 Br\n0.000000 0.110165 0.636373 Br\n0.000000 0.055517 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:42:18.647088Z",
"structure_string": "Yb12 Fe6 S24\n1.0\n7.672693 0.000000 0.000000\n3.758998 6.771483 0.000000\n0.159316 0.283321 19.122470\nYb Fe S\n12 6 24\ndirect\n0.005022 0.503201 0.996787 Yb\n0.663151 0.667845 0.835777 Yb\n0.333356 0.828414 0.666019 Yb\n0.502418 0.494961 0.502206 Yb\n0.171301 0.157184 0.830630 Yb\n0.001165 0.998272 0.496797 Yb\n0.663090 0.175504 0.816845 Yb\n0.666289 0.167379 0.333431 Yb\n0.834241 0.830649 0.168282 Yb\n0.501393 0.996988 0.497444 Yb\n0.330561 0.334275 0.168311 Yb\n0.835007 0.334965 0.167936 Yb\n0.664648 0.162718 0.969686 Fe\n0.008895 0.478082 0.624108 Fe\n0.333570 0.830667 0.292036 Fe\n0.810925 0.891434 0.670709 Fe\n0.000340 0.501384 0.374951 Fe\n0.333281 0.835399 0.042006 Fe\n0.363183 0.314039 0.918148 S\n0.815812 0.867703 0.920858 S\n0.991075 0.519304 0.738070 S\n0.833016 0.319690 0.916772 S\n0.687566 0.665807 0.589564 S\n0.516282 0.985412 0.742975 S\n0.329383 0.834448 0.929445 S\n0.485614 0.519590 0.751938 S\n0.336853 0.826546 0.410484 S\n0.162249 0.175302 0.583966 S\n0.144586 0.667940 0.587100 S\n0.994926 0.973817 0.741968 S\n0.017624 0.991463 0.252358 S\n0.837167 0.343275 0.415725 S\n0.680882 0.139240 0.589047 S\n0.490966 0.518791 0.252260 S\n0.842497 0.814379 0.413713 S\n0.666491 0.168124 0.084030 S\n0.491887 0.991723 0.252345 S\n0.318374 0.343223 0.415821 S\n0.175339 0.675321 0.081883 S\n0.000290 0.499139 0.256533 S\n0.176515 0.147511 0.079697 S\n0.649436 0.675559 0.079677 S\n",
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{
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"structure_string": "Li8 Si6 Ni2 O18\n1.0\n5.059314 3.671977 0.000000\n-5.059314 3.671977 0.000000\n0.000000 0.264465 9.981591\nLi Si Ni O\n8 6 2 18\ndirect\n0.808815 0.621864 0.210456 Li\n0.461082 0.813784 0.787422 Li\n0.559675 0.440325 0.500000 Li\n0.990602 0.009398 0.500000 Li\n0.625860 0.374140 0.000000 Li\n0.001177 0.998823 0.000000 Li\n0.186216 0.538918 0.212578 Li\n0.378136 0.191185 0.789544 Li\n0.882115 0.662538 0.747313 Si\n0.485313 0.927871 0.493929 Si\n0.509813 0.871945 0.052522 Si\n0.128055 0.490187 0.947478 Si\n0.072129 0.514687 0.506071 Si\n0.337462 0.117885 0.252687 Si\n0.830408 0.184733 0.249112 Ni\n0.815267 0.169592 0.750888 Ni\n0.791340 0.860484 0.793078 O\n0.954962 0.690235 0.584371 O\n0.747898 0.894635 0.120047 O\n0.714094 0.969852 0.408124 O\n0.948071 0.493689 0.063915 O\n0.969374 0.496672 0.357830 O\n0.324317 0.879607 0.174741 O\n0.689827 0.424951 0.775175 O\n0.354942 0.645058 0.500000 O\n0.394838 0.605162 0.000000 O\n0.575049 0.310173 0.224825 O\n0.120393 0.675683 0.825259 O\n0.503328 0.030626 0.642170 O\n0.506311 0.051929 0.936085 O\n0.030148 0.285906 0.591876 O\n0.105365 0.252102 0.879953 O\n0.309765 0.045038 0.415629 O\n0.139516 0.208660 0.206922 O\n",
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