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{
"id": "mp-1205249",
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"structure_string": "H52 C16 S8 N4 O24\n1.0\n7.262691 0.000000 0.000000\n0.000000 15.400567 0.000000\n-7.142135 0.000000 10.416337\nH C S N O\n52 16 8 4 24\ndirect\n0.389120 0.951451 0.526847 H\n0.389120 0.548549 0.026847 H\n0.610880 0.048549 0.473153 H\n0.610880 0.451451 0.973153 H\n0.812673 0.794440 0.464308 H\n0.812673 0.705560 0.964308 H\n0.187327 0.205560 0.535692 H\n0.187327 0.294440 0.035692 H\n0.049260 0.737781 0.596940 H\n0.049260 0.762219 0.096940 H\n0.950740 0.262219 0.403060 H\n0.950740 0.237781 0.903060 H\n0.084353 0.804087 0.493238 H\n0.084353 0.695913 0.993238 H\n0.915647 0.195913 0.506762 H\n0.915647 0.304087 0.006762 H\n0.663579 0.749781 0.246001 H\n0.663579 0.750219 0.746001 H\n0.336421 0.250219 0.753999 H\n0.336421 0.249781 0.253999 H\n0.776689 0.656827 0.215695 H\n0.776689 0.843173 0.715695 H\n0.223311 0.343173 0.784305 H\n0.223311 0.156827 0.284305 H\n0.935519 0.755524 0.274774 H\n0.935519 0.744476 0.774774 H\n0.064481 0.244476 0.725226 H\n0.064481 0.255524 0.225226 H\n0.724542 0.568589 0.354451 H\n0.724542 0.931411 0.854451 H\n0.275458 0.431411 0.645549 H\n0.275458 0.068589 0.145549 H\n0.605931 0.660254 0.383601 H\n0.605931 0.839746 0.883601 H\n0.394069 0.339746 0.616399 H\n0.394069 0.160254 0.116399 H\n0.837596 0.602615 0.516513 H\n0.837596 0.897385 0.016513 H\n0.162404 0.397385 0.483487 H\n0.162404 0.102615 0.983487 H\n0.206799 0.615763 0.558643 H\n0.206799 0.884237 0.058643 H\n0.793201 0.384237 0.441357 H\n0.793201 0.115763 0.941357 H\n0.245742 0.679015 0.453379 H\n0.245742 0.820985 0.953379 H\n0.754258 0.320985 0.546621 H\n0.754258 0.179015 0.046621 H\n0.093150 0.578817 0.397774 H\n0.093150 0.921183 0.897774 H\n0.906850 0.421183 0.602226 H\n0.906850 0.078817 0.102226 H\n0.969738 0.760875 0.498218 C\n0.969738 0.739125 0.998218 C\n0.030262 0.239125 0.501782 C\n0.030262 0.260875 0.001782 C\n0.816071 0.713632 0.277171 C\n0.816071 0.786368 0.777171 C\n0.183929 0.286368 0.722829 C\n0.183929 0.213632 0.222829 C\n0.759640 0.624233 0.417238 C\n0.759640 0.875767 0.917238 C\n0.240360 0.375767 0.582762 C\n0.240360 0.124233 0.082762 C\n0.132329 0.635613 0.459125 C\n0.132329 0.864387 0.959125 C\n0.867671 0.364387 0.540875 C\n0.867671 0.135613 0.040875 C\n0.814181 0.974600 0.291557 S\n0.814181 0.525400 0.791557 S\n0.185819 0.025400 0.708443 S\n0.185819 0.474600 0.208443 S\n0.366151 0.904698 0.357081 S\n0.366151 0.595302 0.857081 S\n0.633849 0.095302 0.642919 S\n0.633849 0.404698 0.142919 S\n0.919532 0.683652 0.412842 N\n0.919532 0.816348 0.912842 N\n0.080468 0.316348 0.587158 N\n0.080468 0.183652 0.087158 N\n0.642627 0.944988 0.162518 O\n0.642627 0.555012 0.662518 O\n0.357373 0.055012 0.837482 O\n0.357373 0.444988 0.337482 O\n0.840632 0.067812 0.311145 O\n0.840632 0.432188 0.811145 O\n0.159368 0.932188 0.688855 O\n0.159368 0.567812 0.188855 O\n0.360858 0.893032 0.480938 O\n0.360858 0.606968 0.980938 O\n0.639142 0.106968 0.519062 O\n0.639142 0.393032 0.019062 O\n0.395874 0.817055 0.326370 O\n0.395874 0.682945 0.826370 O\n0.604126 0.182945 0.673630 O\n0.604126 0.317055 0.173630 O\n0.154654 0.946155 0.256890 O\n0.154654 0.553845 0.756890 O\n0.845346 0.053845 0.743110 O\n0.845346 0.446155 0.243110 O\n0.561089 0.961999 0.397512 O\n0.561089 0.538001 0.897512 O\n0.438911 0.038001 0.602488 O\n0.438911 0.461999 0.102488 O\n",
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],
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"formula_full": "H52 C16 S8 N4 O24",
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{
"id": "mp-1205000",
"created_at": "2022-09-04T14:39:08.827140Z",
"structure_string": "Nd22 Cd90\n1.0\n0.000000 11.040663 11.040663\n11.040663 0.000000 11.040663\n11.040663 11.040663 0.000000\nNd Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Nd\n0.013080 0.332294 0.641545 Nd\n0.013080 0.013080 0.641545 Nd\n0.332294 0.013080 0.641545 Nd\n0.013080 0.641545 0.332294 Nd\n0.332294 0.641545 0.013080 Nd\n0.013080 0.641545 0.013080 Nd\n0.641545 0.013080 0.013080 Nd\n0.641545 0.332294 0.013080 Nd\n0.641545 0.013080 0.332294 Nd\n0.332294 0.013080 0.013080 Nd\n0.013080 0.013080 0.332294 Nd\n0.013080 0.332294 0.013080 Nd\n0.250000 0.250000 0.250000 Nd\n0.406614 0.406614 0.780159 Nd\n0.406614 0.780159 0.406614 Nd\n0.780159 0.406614 0.406614 Nd\n0.406614 0.406614 0.406614 Nd\n0.663502 0.663502 0.009493 Nd\n0.663502 0.009493 0.663502 Nd\n0.009493 0.663502 0.663502 Nd\n0.663502 0.663502 0.663502 Nd\n0.083239 0.083239 0.750282 Cd\n0.083239 0.750282 0.083239 Cd\n0.750282 0.083239 0.083239 Cd\n0.083239 0.083239 0.083239 Cd\n0.913254 0.913254 0.260237 Cd\n0.913254 0.260237 0.913254 Cd\n0.260237 0.913254 0.913254 Cd\n0.913254 0.913254 0.913254 Cd\n0.156829 0.156829 0.843171 Cd\n0.843171 0.156829 0.843171 Cd\n0.156829 0.843171 0.843171 Cd\n0.843171 0.843171 0.156829 Cd\n0.156829 0.843171 0.156829 Cd\n0.843171 0.156829 0.156829 Cd\n0.390881 0.200659 0.017578 Cd\n0.390881 0.390881 0.017578 Cd\n0.200659 0.390881 0.017578 Cd\n0.390881 0.017578 0.200659 Cd\n0.200659 0.017578 0.390881 Cd\n0.390881 0.017578 0.390881 Cd\n0.017578 0.390881 0.390881 Cd\n0.017578 0.200659 0.390881 Cd\n0.017578 0.390881 0.200659 Cd\n0.200659 0.390881 0.390881 Cd\n0.390881 0.390881 0.200659 Cd\n0.390881 0.200659 0.390881 Cd\n0.163114 0.163114 0.510658 Cd\n0.163114 0.510658 0.163114 Cd\n0.510658 0.163114 0.163114 Cd\n0.163114 0.163114 0.163114 Cd\n0.263389 0.612298 0.860923 Cd\n0.263389 0.263389 0.860923 Cd\n0.612298 0.263389 0.860923 Cd\n0.263389 0.860923 0.612298 Cd\n0.612298 0.860923 0.263389 Cd\n0.263389 0.860923 0.263389 Cd\n0.860923 0.263389 0.263389 Cd\n0.860923 0.612298 0.263389 Cd\n0.860923 0.263389 0.612298 Cd\n0.612298 0.263389 0.263389 Cd\n0.263389 0.263389 0.612298 Cd\n0.263389 0.612298 0.263389 Cd\n0.500000 0.500000 0.500000 Cd\n0.640984 0.450278 0.267754 Cd\n0.640984 0.640984 0.267754 Cd\n0.450278 0.640984 0.267754 Cd\n0.640984 0.267754 0.450278 Cd\n0.450278 0.267754 0.640984 Cd\n0.640984 0.267754 0.640984 Cd\n0.267754 0.640984 0.640984 Cd\n0.267754 0.450278 0.640984 Cd\n0.267754 0.640984 0.450278 Cd\n0.450278 0.640984 0.640984 Cd\n0.640984 0.640984 0.450278 Cd\n0.640984 0.450278 0.640984 Cd\n0.512659 0.833070 0.141611 Cd\n0.512659 0.512659 0.141611 Cd\n0.833070 0.512659 0.141611 Cd\n0.512659 0.141611 0.833070 Cd\n0.833070 0.141611 0.512659 Cd\n0.512659 0.141611 0.512659 Cd\n0.141611 0.512659 0.512659 Cd\n0.141611 0.833070 0.512659 Cd\n0.141611 0.512659 0.833070 Cd\n0.833070 0.512659 0.512659 Cd\n0.512659 0.512659 0.833070 Cd\n0.512659 0.833070 0.512659 Cd\n0.750000 0.750000 0.750000 Cd\n0.830094 0.830094 0.509718 Cd\n0.830094 0.509718 0.830094 Cd\n0.509718 0.830094 0.830094 Cd\n0.830094 0.830094 0.830094 Cd\n0.913078 0.913078 0.586922 Cd\n0.586922 0.913078 0.586922 Cd\n0.913078 0.586922 0.586922 Cd\n0.586922 0.586922 0.913078 Cd\n0.913078 0.586922 0.913078 Cd\n0.586922 0.913078 0.913078 Cd\n0.763450 0.069156 0.403945 Cd\n0.763450 0.763450 0.403945 Cd\n0.069156 0.763450 0.403945 Cd\n0.763450 0.403945 0.069156 Cd\n0.069156 0.403945 0.763450 Cd\n0.763450 0.403945 0.763450 Cd\n0.403945 0.763450 0.763450 Cd\n0.403945 0.069156 0.763450 Cd\n0.403945 0.763450 0.069156 Cd\n0.069156 0.763450 0.763450 Cd\n0.763450 0.763450 0.069156 Cd\n0.763450 0.069156 0.763450 Cd\n",
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{
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"structure_string": "Ca2 Cr4 O10\n1.0\n3.966942 0.000000 0.000000\n-1.983470 5.498425 0.000000\n0.000000 0.000000 10.816388\nCa Cr O\n2 4 10\ndirect\n0.905448 0.810894 0.750000 Ca\n0.094553 0.189107 0.250000 Ca\n0.210360 0.420719 0.594242 Cr\n0.789641 0.579282 0.405757 Cr\n0.789641 0.579282 0.094243 Cr\n0.210360 0.420719 0.905758 Cr\n0.702571 0.405140 0.250000 O\n0.297430 0.594861 0.750000 O\n0.251719 0.503436 0.075156 O\n0.748283 0.496565 0.924844 O\n0.748283 0.496565 0.575156 O\n0.251719 0.503436 0.424843 O\n0.059285 0.118567 0.614249 O\n0.940715 0.881432 0.385751 O\n0.059285 0.118567 0.885751 O\n0.940715 0.881432 0.114250 O\n",
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{
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"structure_string": "Li1 Mn1 O1\n1.0\n8.704628 0.000000 0.000000\n0.000000 8.704628 0.000000\n0.000000 0.000000 6.633036\nLi Mn O\n1 1 1\ndirect\n0.000000 0.000000 0.033572 Li\n0.000000 0.000000 0.563251 Mn\n0.000000 0.000000 0.291178 O\n",
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{
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{
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"structure_string": "Rb1 Ba1 Mg14\n1.0\n6.994340 0.000000 0.000000\n-3.497170 6.057275 0.000000\n0.000000 0.000000 10.541664\nRb Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Rb\n0.166667 0.333333 0.625000 Ba\n0.172536 0.836268 0.125000 Mg\n0.179475 0.839737 0.625000 Mg\n0.663732 0.327464 0.125000 Mg\n0.660263 0.320525 0.625000 Mg\n0.663732 0.836268 0.125000 Mg\n0.660263 0.839737 0.625000 Mg\n0.349815 0.150185 0.375840 Mg\n0.349815 0.150185 0.874160 Mg\n0.349815 0.699631 0.375840 Mg\n0.349815 0.699631 0.874160 Mg\n0.800369 0.150185 0.375840 Mg\n0.800369 0.150185 0.874160 Mg\n0.833333 0.666667 0.375894 Mg\n0.833333 0.666667 0.874106 Mg\n",
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{
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"structure_string": "Mn1 Te1 Pd1\n1.0\n0.000000 3.170838 3.170838\n3.170838 0.000000 3.170838\n3.170838 3.170838 0.000000\nMn Te Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Pd\n",
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{
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