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{
"id": "mp-601396",
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"structure_string": "Cu4 H40 C8 N16 O40\n1.0\n7.290556 0.000000 0.000000\n0.000000 7.998762 0.000000\n0.000000 0.000000 17.739297\nCu H C N O\n4 40 8 16 40\ndirect\n0.238835 0.753121 0.749984 Cu\n0.738835 0.746879 0.250016 Cu\n0.761165 0.253121 0.750016 Cu\n0.261165 0.246879 0.249984 Cu\n0.091637 0.168301 0.703930 H\n0.993509 0.003762 0.479241 H\n0.006491 0.503762 0.020759 H\n0.607287 0.144659 0.426641 H\n0.408363 0.831699 0.203930 H\n0.075130 0.753615 0.218670 H\n0.584771 0.131300 0.285369 H\n0.110968 0.854996 0.423564 H\n0.424870 0.246385 0.718670 H\n0.561811 0.280125 0.599951 H\n0.939064 0.218527 0.897285 H\n0.889032 0.354996 0.076436 H\n0.084771 0.368700 0.714631 H\n0.924870 0.253615 0.281330 H\n0.439064 0.281473 0.102715 H\n0.493509 0.496238 0.520759 H\n0.415229 0.631300 0.214631 H\n0.392713 0.644659 0.073359 H\n0.005138 0.007002 0.982159 H\n0.892713 0.855341 0.926641 H\n0.061811 0.219875 0.400049 H\n0.610968 0.645004 0.576436 H\n0.994862 0.507002 0.517841 H\n0.389032 0.145004 0.923564 H\n0.505138 0.492998 0.017841 H\n0.438189 0.780125 0.900049 H\n0.422726 0.327005 0.798777 H\n0.494862 0.992998 0.482159 H\n0.915229 0.868700 0.785369 H\n0.577274 0.827005 0.701223 H\n0.922726 0.172995 0.201223 H\n0.591637 0.331699 0.296070 H\n0.060936 0.718527 0.602715 H\n0.938189 0.719875 0.099951 H\n0.077274 0.672995 0.298777 H\n0.107287 0.355341 0.573359 H\n0.560936 0.781473 0.397285 H\n0.575130 0.746385 0.781330 H\n0.908363 0.668301 0.796070 H\n0.506491 0.996238 0.979241 H\n0.604850 0.908534 0.384020 C\n0.895150 0.091466 0.884020 C\n0.114246 0.095468 0.384977 C\n0.385754 0.904532 0.884977 C\n0.614246 0.404532 0.615023 C\n0.885754 0.595468 0.115023 C\n0.104850 0.591466 0.615980 C\n0.395150 0.408534 0.115980 C\n0.430631 0.523395 0.064858 N\n0.279598 0.517926 0.395737 N\n0.569369 0.023395 0.435142 N\n0.718567 0.511369 0.895457 N\n0.781433 0.488631 0.395457 N\n0.930631 0.976605 0.935142 N\n0.779598 0.982074 0.604263 N\n0.569005 0.524455 0.567818 N\n0.281433 0.011369 0.604543 N\n0.430995 0.024455 0.932182 N\n0.218567 0.988631 0.104543 N\n0.069369 0.476605 0.564858 N\n0.220402 0.482074 0.895737 N\n0.930995 0.475545 0.067818 N\n0.069005 0.975545 0.432182 N\n0.720402 0.017926 0.104263 N\n0.189353 0.491499 0.334335 O\n0.790377 0.571375 0.173899 O\n0.709623 0.428625 0.673899 O\n0.290377 0.928625 0.826101 O\n0.856501 0.102827 0.571482 O\n0.466272 0.738879 0.233094 O\n0.187629 0.985621 0.664951 O\n0.288367 0.663911 0.421963 O\n0.788367 0.836089 0.578037 O\n0.356501 0.397173 0.428518 O\n0.816252 0.058922 0.821489 O\n0.316252 0.441078 0.178511 O\n0.687629 0.514379 0.335049 O\n0.295402 0.158934 0.579618 O\n0.683748 0.941078 0.321489 O\n0.183748 0.558922 0.678511 O\n0.310647 0.508501 0.834335 O\n0.357543 0.890868 0.571775 O\n0.211633 0.336089 0.921963 O\n0.143499 0.602827 0.928518 O\n0.312371 0.014379 0.164951 O\n0.209623 0.071375 0.326101 O\n0.642457 0.390868 0.928225 O\n0.512632 0.741402 0.732842 O\n0.704598 0.658934 0.920382 O\n0.857543 0.609132 0.428225 O\n0.812371 0.485621 0.835049 O\n0.987368 0.258598 0.232842 O\n0.966272 0.761121 0.766906 O\n0.643499 0.897173 0.071482 O\n0.487368 0.241402 0.767158 O\n0.689353 0.008501 0.665665 O\n0.033728 0.261121 0.733094 O\n0.795402 0.341066 0.420382 O\n0.142457 0.109132 0.071775 O\n0.810647 0.991499 0.165665 O\n0.204598 0.841066 0.079618 O\n0.533728 0.238879 0.266906 O\n0.711633 0.163911 0.078037 O\n0.012632 0.758598 0.267158 O\n",
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"spacegroup": 19
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{
"id": "mp-582983",
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"structure_string": "Ce24 Si24 O84\n1.0\n7.313797 0.000000 0.000000\n0.000000 10.161578 0.000000\n0.000000 0.000000 23.525924\nCe Si O\n24 24 84\ndirect\n0.585517 0.635732 0.835980 Ce\n0.120243 0.505264 0.923804 Ce\n0.857360 0.736254 0.686505 Ce\n0.414483 0.135732 0.164020 Ce\n0.642673 0.763398 0.182686 Ce\n0.142640 0.236254 0.313495 Ce\n0.887324 0.856938 0.339522 Ce\n0.642673 0.263398 0.317314 Ce\n0.120243 0.005264 0.576196 Ce\n0.142640 0.736254 0.186505 Ce\n0.357327 0.263398 0.817314 Ce\n0.374805 0.506044 0.077717 Ce\n0.414483 0.635732 0.335980 Ce\n0.879757 0.505264 0.423804 Ce\n0.112676 0.856938 0.839522 Ce\n0.857360 0.236254 0.813495 Ce\n0.374805 0.006044 0.422283 Ce\n0.625195 0.506044 0.577717 Ce\n0.357327 0.763398 0.682686 Ce\n0.625195 0.006044 0.922283 Ce\n0.887324 0.356938 0.160478 Ce\n0.112676 0.356938 0.660478 Ce\n0.879757 0.005264 0.076196 Ce\n0.585517 0.135732 0.664020 Ce\n0.848953 0.241582 0.532713 Si\n0.112954 0.126276 0.915673 Si\n0.419508 0.243497 0.536323 Si\n0.151047 0.741582 0.467287 Si\n0.573673 0.434291 0.720799 Si\n0.151047 0.241582 0.032713 Si\n0.073092 0.558130 0.776863 Si\n0.383327 0.880667 0.078878 Si\n0.383327 0.380667 0.421122 Si\n0.848953 0.741582 0.967287 Si\n0.580492 0.243497 0.036323 Si\n0.426327 0.934291 0.279201 Si\n0.887046 0.126276 0.415673 Si\n0.426327 0.434291 0.220799 Si\n0.573673 0.934291 0.779201 Si\n0.887046 0.626276 0.084327 Si\n0.112954 0.626276 0.584327 Si\n0.616673 0.380667 0.921122 Si\n0.926908 0.058130 0.223137 Si\n0.580492 0.743497 0.463677 Si\n0.419508 0.743497 0.963677 Si\n0.926908 0.558130 0.276863 Si\n0.073092 0.058130 0.723137 Si\n0.616673 0.880667 0.578878 Si\n0.637126 0.401466 0.786961 O\n0.051934 0.396239 0.775305 O\n0.022588 0.720836 0.412240 O\n0.581859 0.869514 0.508556 O\n0.701356 0.878875 0.831276 O\n0.305338 0.560005 0.604047 O\n0.378371 0.732365 0.108502 O\n0.298644 0.378875 0.168724 O\n0.441279 0.596625 0.217961 O\n0.558721 0.596625 0.717961 O\n0.061634 0.046886 0.388379 O\n0.220240 0.600713 0.825700 O\n0.694662 0.560005 0.104047 O\n0.798604 0.460673 0.902167 O\n0.061634 0.546886 0.111621 O\n0.134587 0.601649 0.711958 O\n0.106410 0.275853 0.887536 O\n0.614975 0.344481 0.217642 O\n0.948066 0.896239 0.224695 O\n0.977412 0.720836 0.912240 O\n0.159986 0.889507 0.490980 O\n0.581859 0.369514 0.991444 O\n0.437531 0.952431 0.607656 O\n0.201396 0.460673 0.402167 O\n0.798604 0.960673 0.597833 O\n0.884977 0.146269 0.713572 O\n0.694662 0.060005 0.395953 O\n0.378371 0.232365 0.391498 O\n0.362874 0.901466 0.213039 O\n0.682246 0.120160 0.008254 O\n0.317754 0.120160 0.508254 O\n0.418141 0.369514 0.491444 O\n0.022588 0.220836 0.087760 O\n0.865413 0.101649 0.288042 O\n0.977412 0.220836 0.587760 O\n0.682246 0.620160 0.491746 O\n0.640472 0.288023 0.099308 O\n0.201396 0.960673 0.097833 O\n0.362874 0.401466 0.286961 O\n0.840014 0.389507 0.509020 O\n0.087619 0.631945 0.514648 O\n0.912381 0.631945 0.014648 O\n0.562469 0.452431 0.392344 O\n0.865413 0.601649 0.211958 O\n0.701356 0.378875 0.668724 O\n0.893590 0.775853 0.112464 O\n0.640472 0.788023 0.400692 O\n0.363626 0.705514 0.447926 O\n0.938366 0.046886 0.888379 O\n0.317754 0.620160 0.991746 O\n0.884977 0.646269 0.786428 O\n0.779760 0.100713 0.174300 O\n0.115023 0.146269 0.213572 O\n0.938366 0.546886 0.611621 O\n0.220240 0.100713 0.674300 O\n0.305338 0.060005 0.895953 O\n0.948066 0.396239 0.275305 O\n0.106410 0.775853 0.612464 O\n0.893590 0.275853 0.387536 O\n0.385025 0.344481 0.717642 O\n0.637126 0.901466 0.713039 O\n0.614975 0.844481 0.282358 O\n0.363626 0.205514 0.052074 O\n0.298644 0.878875 0.331276 O\n0.385025 0.844481 0.782358 O\n0.621629 0.732365 0.608502 O\n0.359528 0.788023 0.900692 O\n0.051934 0.896239 0.724695 O\n0.437531 0.452431 0.892344 O\n0.134587 0.101649 0.788042 O\n0.558721 0.096625 0.782039 O\n0.418141 0.869514 0.008556 O\n0.779760 0.600713 0.325700 O\n0.562469 0.952431 0.107656 O\n0.159986 0.389507 0.009020 O\n0.359528 0.288023 0.599308 O\n0.441279 0.096625 0.282039 O\n0.636374 0.705514 0.947926 O\n0.636374 0.205514 0.552074 O\n0.087619 0.131945 0.985352 O\n0.912381 0.131945 0.485353 O\n0.621629 0.232365 0.891498 O\n0.840014 0.889507 0.990980 O\n0.115023 0.646269 0.286428 O\n",
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{
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"structure_string": "Li8 Ti4 Fe6 Sb6 O32\n1.0\n-3.080255 5.313036 0.009540\n-0.130193 -0.057379 9.791986\n9.428585 5.420679 -0.154338\nLi Ti Fe Sb O\n8 4 6 6 32\ndirect\n0.499966 0.894674 0.172699 Li\n0.999979 0.894231 0.672223 Li\n0.500417 0.983439 0.487682 Li\n0.999568 0.983771 0.987538 Li\n0.498399 0.503431 0.498503 Li\n0.999760 0.504104 0.997560 Li\n0.000422 0.401064 0.320401 Li\n0.501415 0.401082 0.820594 Li\n0.501821 0.503180 0.180708 Ti\n0.002645 0.502394 0.680721 Ti\n0.998738 0.971439 0.362025 Ti\n0.498228 0.971433 0.862658 Ti\n0.243867 0.709226 0.421815 Fe\n0.743583 0.709674 0.921964 Fe\n0.756916 0.708192 0.422273 Fe\n0.256654 0.709203 0.921764 Fe\n0.001228 0.213284 0.824979 Fe\n0.500407 0.213865 0.324735 Fe\n0.000840 0.716785 0.177932 Sb\n0.500114 0.716971 0.677787 Sb\n0.744974 0.216698 0.077566 Sb\n0.246129 0.216794 0.577625 Sb\n0.252378 0.217971 0.078643 Sb\n0.753543 0.216548 0.578241 Sb\n0.500502 0.338250 0.007602 O\n0.000203 0.337510 0.507600 O\n0.501446 0.103602 0.153143 O\n0.003600 0.102814 0.652866 O\n0.995263 0.317626 0.997576 O\n0.497545 0.316909 0.497481 O\n0.999539 0.799582 0.012338 O\n0.497808 0.800085 0.513079 O\n0.998042 0.106173 0.147647 O\n0.498734 0.105734 0.647533 O\n0.505497 0.582519 0.330106 O\n0.002090 0.581458 0.829355 O\n0.003441 0.604486 0.329057 O\n0.501282 0.605419 0.830015 O\n0.995400 0.855789 0.487102 O\n0.497487 0.857474 0.988110 O\n0.752803 0.594328 0.100103 O\n0.252072 0.594381 0.600120 O\n0.249075 0.594378 0.099818 O\n0.747265 0.593912 0.599670 O\n0.720221 0.344412 0.226225 O\n0.222573 0.345587 0.725237 O\n0.281540 0.346101 0.227617 O\n0.782761 0.343392 0.728354 O\n0.213336 0.849783 0.259980 O\n0.712746 0.849555 0.760270 O\n0.786969 0.848879 0.259736 O\n0.285997 0.848801 0.759808 O\n0.247738 0.092027 0.419266 O\n0.745744 0.091721 0.919896 O\n0.750818 0.091139 0.417721 O\n0.249069 0.092391 0.916935 O\n",
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{
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{
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{
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