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{
"id": "mp-1223979",
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{
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{
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"structure_string": "Ba12 Ga10 N2\n1.0\n14.317498 -3.990129 0.000000\n14.317498 3.990129 0.000000\n13.205494 0.000000 6.821058\nBa Ga N\n12 10 2\ndirect\n0.789695 0.238348 0.363929 Ba\n0.238348 0.363929 0.789695 Ba\n0.363929 0.789695 0.238348 Ba\n0.710305 0.136071 0.261652 Ba\n0.136071 0.261652 0.710305 Ba\n0.261652 0.710305 0.136071 Ba\n0.210305 0.761652 0.636071 Ba\n0.761652 0.636071 0.210305 Ba\n0.636071 0.210305 0.761652 Ba\n0.289695 0.863929 0.738348 Ba\n0.863929 0.738348 0.289695 Ba\n0.738348 0.289695 0.863929 Ba\n0.250000 0.452037 0.047963 Ga\n0.197671 0.197671 0.197671 Ga\n0.697671 0.697671 0.697671 Ga\n0.302329 0.302329 0.302329 Ga\n0.802329 0.802329 0.802329 Ga\n0.452037 0.047963 0.250000 Ga\n0.047963 0.250000 0.452037 Ga\n0.750000 0.547963 0.952037 Ga\n0.547963 0.952037 0.750000 Ga\n0.952037 0.750000 0.547963 Ga\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Ba12 Ga10 N2",
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{
"id": "mp-772039",
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"structure_string": "Na16 Sn16 H40 O44\n1.0\n8.758326 0.000000 0.000000\n0.000000 12.810916 0.000000\n0.000000 9.630819 14.489181\nNa Sn H O\n16 16 40 44\ndirect\n0.853677 0.413519 0.991058 Na\n0.599305 0.655729 0.941630 Na\n0.311664 0.916594 0.841446 Na\n0.909104 0.782913 0.790279 Na\n0.409104 0.217087 0.709721 Na\n0.353677 0.586481 0.508942 Na\n0.811664 0.083406 0.658554 Na\n0.900695 0.655729 0.441630 Na\n0.099305 0.344271 0.558370 Na\n0.188336 0.916594 0.341446 Na\n0.646323 0.413519 0.491058 Na\n0.590896 0.782913 0.290279 Na\n0.090896 0.217087 0.209721 Na\n0.688336 0.083406 0.158554 Na\n0.400695 0.344271 0.058370 Na\n0.146323 0.586481 0.008942 Na\n0.598137 0.275510 0.929725 Sn\n0.075565 0.215328 0.818431 Sn\n0.178437 0.514386 0.844652 Sn\n0.687825 0.955692 0.913878 Sn\n0.678437 0.485614 0.655348 Sn\n0.575565 0.784672 0.681569 Sn\n0.098137 0.724490 0.570275 Sn\n0.187825 0.044308 0.586122 Sn\n0.812175 0.955692 0.413878 Sn\n0.901863 0.275510 0.429725 Sn\n0.424435 0.215328 0.318431 Sn\n0.321563 0.514386 0.344652 Sn\n0.312175 0.044308 0.086122 Sn\n0.821563 0.485614 0.155348 Sn\n0.924435 0.784672 0.181569 Sn\n0.401863 0.724490 0.070275 Sn\n0.864233 0.679744 0.979304 H\n0.595100 0.510441 0.888684 H\n0.122886 0.804234 0.021660 H\n0.765670 0.615335 0.812748 H\n0.919035 0.548715 0.765100 H\n0.294826 0.058272 0.908518 H\n0.946466 0.882528 0.887674 H\n0.419035 0.451285 0.734900 H\n0.290751 0.720868 0.819669 H\n0.265670 0.384665 0.687252 H\n0.146530 0.862573 0.754314 H\n0.022387 0.092291 0.745236 H\n0.095100 0.489559 0.611316 H\n0.522387 0.907709 0.754764 H\n0.646530 0.137427 0.745686 H\n0.790751 0.279132 0.680331 H\n0.446466 0.117472 0.612326 H\n0.794826 0.941728 0.591482 H\n0.635767 0.679744 0.479304 H\n0.377114 0.804234 0.521660 H\n0.622886 0.195766 0.478340 H\n0.364233 0.320256 0.520696 H\n0.205174 0.058272 0.408518 H\n0.553534 0.882528 0.387674 H\n0.209249 0.720868 0.319669 H\n0.353470 0.862573 0.254314 H\n0.477613 0.092291 0.245236 H\n0.904900 0.510441 0.388684 H\n0.977613 0.907709 0.254764 H\n0.853470 0.137427 0.245686 H\n0.734330 0.615335 0.312748 H\n0.709249 0.279132 0.180331 H\n0.580965 0.548715 0.265100 H\n0.053534 0.117472 0.112326 H\n0.705174 0.941728 0.091482 H\n0.080965 0.451285 0.234900 H\n0.234330 0.384665 0.187252 H\n0.877114 0.195766 0.978340 H\n0.404900 0.489559 0.111316 H\n0.135767 0.320256 0.020696 H\n0.804991 0.219760 0.008694 O\n0.138179 0.413653 0.988779 O\n0.583938 0.427074 0.947105 O\n0.521062 0.824376 0.947233 O\n0.938711 0.548531 0.820256 O\n0.846942 0.843081 0.895469 O\n0.191100 0.680775 0.844028 O\n0.674602 0.662285 0.812543 O\n0.174602 0.337715 0.687457 O\n0.263382 0.095802 0.844518 O\n0.438711 0.451469 0.679744 O\n0.449871 0.856882 0.745677 O\n0.601448 0.053116 0.776207 O\n0.101448 0.946884 0.723793 O\n0.949871 0.143118 0.754323 O\n0.763382 0.904198 0.655482 O\n0.083938 0.572926 0.552895 O\n0.638179 0.586347 0.511221 O\n0.304991 0.780240 0.491306 O\n0.691100 0.319225 0.655972 O\n0.346942 0.156919 0.604531 O\n0.978938 0.824376 0.447233 O\n0.021062 0.175624 0.552767 O\n0.653058 0.843081 0.395469 O\n0.308900 0.680775 0.344028 O\n0.695009 0.219760 0.508694 O\n0.361821 0.413653 0.488779 O\n0.916062 0.427074 0.447105 O\n0.236618 0.095802 0.344518 O\n0.050129 0.856882 0.245677 O\n0.898552 0.053116 0.276207 O\n0.398552 0.946884 0.223793 O\n0.550129 0.143118 0.254323 O\n0.561289 0.548531 0.320256 O\n0.736618 0.904198 0.155482 O\n0.825398 0.662285 0.312543 O\n0.325398 0.337715 0.187457 O\n0.808900 0.319225 0.155972 O\n0.153058 0.156919 0.104531 O\n0.061289 0.451469 0.179744 O\n0.478938 0.175624 0.052767 O\n0.416062 0.572926 0.052895 O\n0.861821 0.586347 0.011221 O\n0.195009 0.780240 0.991306 O\n",
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{
"id": "mp-694995",
"created_at": "2022-09-04T14:46:51.818344Z",
"structure_string": "Li2 Mg2 Cr6 S12 O48\n1.0\n8.351789 0.000000 0.000000\n0.027545 8.869771 0.000000\n0.029356 1.106159 12.130716\nLi Mg Cr S O\n2 2 6 12 48\ndirect\n0.663466 0.278963 0.095126 Li\n0.336534 0.721037 0.904874 Li\n0.498863 0.213634 0.854175 Mg\n0.501137 0.786366 0.145825 Mg\n0.005540 0.301916 0.153526 Cr\n0.002571 0.713679 0.356011 Cr\n0.500474 0.804541 0.648875 Cr\n0.499526 0.195459 0.351125 Cr\n0.997429 0.286321 0.643989 Cr\n0.994460 0.698084 0.846474 Cr\n0.856676 0.646298 0.604425 S\n0.790213 0.999420 0.252853 S\n0.647810 0.143789 0.604385 S\n0.353623 0.147067 0.104412 S\n0.857318 0.357300 0.896604 S\n0.290851 0.501411 0.748872 S\n0.709149 0.498589 0.251128 S\n0.142682 0.642700 0.103396 S\n0.646377 0.852933 0.895588 S\n0.352190 0.856211 0.395615 S\n0.209787 0.000580 0.747147 S\n0.143324 0.353702 0.395575 S\n0.802132 0.607964 0.308673 O\n0.687439 0.656491 0.638681 O\n0.966589 0.710998 0.684331 O\n0.881943 0.735271 0.497139 O\n0.932970 0.929461 0.308556 O\n0.654836 0.974710 0.625712 O\n0.688977 0.058931 0.340313 O\n0.608803 0.011866 0.904344 O\n0.842344 0.129485 0.171447 O\n0.295883 0.106434 0.809611 O\n0.534156 0.189599 0.513817 O\n0.812853 0.191746 0.570718 O\n0.186090 0.156322 0.143717 O\n0.596286 0.214820 0.701675 O\n0.469180 0.212218 0.186040 O\n0.381915 0.242041 0.001434 O\n0.902719 0.284098 0.797167 O\n0.695160 0.307818 0.933949 O\n0.974650 0.312062 0.984907 O\n0.427498 0.430649 0.807286 O\n0.658769 0.373001 0.332040 O\n0.894118 0.485268 0.594160 O\n0.810909 0.434939 0.161336 O\n0.153030 0.475231 0.128238 O\n0.846970 0.524769 0.871762 O\n0.189091 0.565061 0.838664 O\n0.105882 0.514732 0.405840 O\n0.341231 0.626999 0.667960 O\n0.572502 0.569351 0.192714 O\n0.025350 0.687938 0.015093 O\n0.304840 0.692182 0.066051 O\n0.097281 0.715902 0.202833 O\n0.618085 0.757959 0.998566 O\n0.530820 0.787782 0.813960 O\n0.403714 0.785180 0.298325 O\n0.813910 0.843678 0.856283 O\n0.187147 0.808254 0.429282 O\n0.465844 0.810401 0.486183 O\n0.704117 0.893566 0.190389 O\n0.157656 0.870515 0.828553 O\n0.391197 0.988134 0.095656 O\n0.311023 0.941069 0.659687 O\n0.345164 0.025290 0.374288 O\n0.067030 0.070539 0.691444 O\n0.118057 0.264729 0.502861 O\n0.033411 0.289002 0.315669 O\n0.312561 0.343509 0.361319 O\n0.197868 0.392036 0.691327 O\n",
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{
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{
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