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{
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{
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"formula_full": "Al16 Fe16 N32",
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{
"id": "mp-1202819",
"created_at": "2022-09-04T14:47:12.558686Z",
"structure_string": "Sr8 B20 H4 O40\n1.0\n8.527039 0.000000 0.000000\n0.000000 6.559622 0.000000\n0.000000 1.111197 14.328121\nSr B H O\n8 20 4 40\ndirect\n0.658108 0.478712 0.109475 Sr\n0.158108 0.521288 0.390525 Sr\n0.341892 0.521288 0.890525 Sr\n0.841892 0.478712 0.609475 Sr\n0.499949 0.953640 0.272415 Sr\n0.999949 0.046360 0.227585 Sr\n0.500051 0.046360 0.727585 Sr\n0.000051 0.953640 0.772415 Sr\n0.774462 0.195827 0.393137 B\n0.274462 0.804173 0.106863 B\n0.225538 0.804173 0.606863 B\n0.725538 0.195827 0.893137 B\n0.340315 0.464962 0.185144 B\n0.840315 0.535038 0.314856 B\n0.659685 0.535038 0.814856 B\n0.159685 0.464962 0.685144 B\n0.683233 0.816642 0.933145 B\n0.183233 0.183358 0.566855 B\n0.316767 0.183358 0.066855 B\n0.816767 0.816642 0.433145 B\n0.796669 0.041006 0.561503 B\n0.296669 0.958994 0.938497 B\n0.203331 0.958994 0.438497 B\n0.703331 0.041006 0.061503 B\n0.554352 0.427144 0.320324 B\n0.054352 0.572856 0.179676 B\n0.445648 0.572856 0.679676 B\n0.945648 0.427144 0.820324 B\n0.009026 0.408646 0.063899 H\n0.509026 0.591354 0.436101 H\n0.990974 0.591354 0.936101 H\n0.490974 0.408646 0.563899 H\n0.385803 0.680653 0.164919 O\n0.885803 0.319347 0.335081 O\n0.614197 0.319347 0.835081 O\n0.114197 0.680653 0.664919 O\n0.953278 0.438794 0.120317 O\n0.453278 0.561206 0.379683 O\n0.046722 0.561206 0.879683 O\n0.546722 0.438794 0.620317 O\n0.611114 0.245535 0.374788 O\n0.111114 0.754465 0.125212 O\n0.388886 0.754465 0.625212 O\n0.888886 0.245535 0.874788 O\n0.454669 0.355384 0.245453 O\n0.954669 0.644616 0.254547 O\n0.545331 0.644616 0.754547 O\n0.045331 0.355384 0.745453 O\n0.646643 0.623354 0.912726 O\n0.146643 0.376646 0.587274 O\n0.353357 0.376646 0.087274 O\n0.853357 0.623354 0.412726 O\n0.181545 0.439832 0.221082 O\n0.681545 0.560168 0.278918 O\n0.818455 0.560168 0.778918 O\n0.318455 0.439832 0.721082 O\n0.799348 0.976320 0.367139 O\n0.299348 0.023680 0.132861 O\n0.200652 0.023680 0.632861 O\n0.700652 0.976320 0.867139 O\n0.711395 0.069077 0.152947 O\n0.211395 0.930923 0.347053 O\n0.288605 0.930923 0.847053 O\n0.788605 0.069077 0.652947 O\n0.811463 0.203683 0.494750 O\n0.311463 0.796317 0.005250 O\n0.188537 0.796317 0.505250 O\n0.688537 0.203683 0.994750 O\n0.704386 0.841762 0.028499 O\n0.204386 0.158238 0.471501 O\n0.295614 0.158238 0.971501 O\n0.795614 0.841762 0.528499 O\n",
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{
"id": "mp-1235940",
"created_at": "2022-09-04T14:47:07.781468Z",
"structure_string": "Li1 Lu2 W2 Cl2 O8\n1.0\n-5.848244 -0.085356 1.297419\n-1.862973 -6.063442 1.857667\n0.105250 -0.020407 7.160344\nLi Lu W Cl O\n1 2 2 2 8\ndirect\n0.253097 0.751141 0.059668 Li\n0.258424 0.219711 0.857573 Lu\n0.744213 0.772998 0.146462 Lu\n0.386856 0.323118 0.279650 W\n0.630455 0.648891 0.723792 W\n0.003229 0.034976 0.220313 Cl\n0.994873 0.962513 0.796710 Cl\n0.353366 0.251239 0.547685 O\n0.656081 0.754833 0.462298 O\n0.430930 0.483812 0.792612 O\n0.541134 0.550338 0.189829 O\n0.918857 0.479563 0.801752 O\n0.093977 0.526253 0.181068 O\n0.479904 0.120436 0.113714 O\n0.515022 0.870177 0.863910 O\n",
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{
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"structure_string": "Cs2 Ti4 O6 F6\n1.0\n0.000000 5.157084 5.379694\n5.073206 0.000000 5.379694\n5.073206 5.157084 0.000000\nCs Ti O F\n2 4 6 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.250000 0.250000 0.250000 Cs\n0.386257 0.877740 0.855120 Ti\n0.877740 0.386257 0.880883 Ti\n0.855120 0.880883 0.386257 Ti\n0.880883 0.855120 0.877740 Ti\n0.927141 0.927141 0.572859 O\n0.572859 0.572859 0.927141 O\n0.938970 0.561030 0.938970 O\n0.561030 0.938970 0.561030 O\n0.829613 0.829613 0.170387 O\n0.170387 0.170387 0.829613 O\n0.551550 0.948450 0.948450 F\n0.948450 0.551550 0.551550 F\n0.806090 0.193910 0.806090 F\n0.193910 0.806090 0.193910 F\n0.200016 0.799984 0.799984 F\n0.799984 0.200016 0.200016 F\n",
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{
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"structure_string": "Er8 Cr8 H8 O40\n1.0\n11.590188 0.000000 0.000000\n0.000000 8.202444 0.000000\n0.000000 7.705760 8.224314\nEr Cr H O\n8 8 8 40\ndirect\n0.922625 0.761164 0.323269 Er\n0.577375 0.761164 0.823269 Er\n0.077375 0.238836 0.676731 Er\n0.422625 0.238836 0.176731 Er\n0.938089 0.286254 0.348455 Er\n0.561911 0.286254 0.848455 Er\n0.061911 0.713746 0.651545 Er\n0.438089 0.713746 0.151545 Er\n0.670797 0.366796 0.500757 Cr\n0.829203 0.366796 0.000757 Cr\n0.329203 0.633204 0.499243 Cr\n0.170797 0.633204 0.999243 Cr\n0.812554 0.906404 0.959408 Cr\n0.687446 0.906404 0.459408 Cr\n0.187446 0.093596 0.040592 Cr\n0.312554 0.093596 0.540592 Cr\n0.103799 0.567409 0.323571 H\n0.396201 0.567409 0.823571 H\n0.896201 0.432591 0.676429 H\n0.603799 0.432591 0.176429 H\n0.927371 0.941449 0.695576 H\n0.572629 0.941449 0.195576 H\n0.072629 0.058551 0.304424 H\n0.427371 0.058551 0.804424 H\n0.809965 0.406797 0.438392 O\n0.690035 0.406797 0.938392 O\n0.190035 0.593203 0.561608 O\n0.309965 0.593203 0.061608 O\n0.666005 0.371517 0.644896 O\n0.833995 0.371517 0.144896 O\n0.333995 0.628483 0.355104 O\n0.166005 0.628483 0.855104 O\n0.627085 0.116185 0.585351 O\n0.872915 0.116185 0.085351 O\n0.372915 0.883815 0.414649 O\n0.127085 0.883815 0.914649 O\n0.584742 0.556472 0.343397 O\n0.915258 0.556472 0.843397 O\n0.415258 0.443528 0.656603 O\n0.084742 0.443528 0.156603 O\n0.881362 0.712796 0.138789 O\n0.618638 0.712796 0.638789 O\n0.118638 0.287204 0.861211 O\n0.381362 0.287204 0.361211 O\n0.702997 0.009983 0.983647 O\n0.797003 0.009983 0.483647 O\n0.297003 0.990017 0.016353 O\n0.202997 0.990017 0.516353 O\n0.757707 0.798010 0.889213 O\n0.742293 0.798010 0.389213 O\n0.242293 0.201990 0.110787 O\n0.257707 0.201990 0.610787 O\n0.905481 0.104833 0.820726 O\n0.594519 0.104833 0.320726 O\n0.094519 0.895167 0.179274 O\n0.405481 0.895167 0.679274 O\n0.042746 0.470028 0.401654 O\n0.457254 0.470028 0.901654 O\n0.957254 0.529972 0.598346 O\n0.542746 0.529972 0.098346 O\n0.994628 0.017820 0.624125 O\n0.505372 0.017820 0.124125 O\n0.005372 0.982180 0.375875 O\n0.494628 0.982180 0.875875 O\n",
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{
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"structure_string": "Gd4 Fe4 O12\n1.0\n5.394942 0.000000 0.000000\n0.000000 5.666085 0.000000\n0.000000 0.000000 7.776321\nGd Fe O\n4 4 12\ndirect\n0.983426 0.065799 0.250000 Gd\n0.483426 0.434201 0.750000 Gd\n0.516574 0.565799 0.250000 Gd\n0.016574 0.934201 0.750000 Gd\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.306586 0.695413 0.555836 O\n0.392731 0.965047 0.250000 O\n0.193414 0.195413 0.944164 O\n0.693414 0.304587 0.055836 O\n0.693414 0.304587 0.444164 O\n0.806586 0.804587 0.444164 O\n0.306586 0.695413 0.944164 O\n0.193414 0.195413 0.555836 O\n0.892731 0.534953 0.750000 O\n0.607269 0.034953 0.750000 O\n0.806586 0.804587 0.055836 O\n0.107269 0.465047 0.250000 O\n",
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{
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