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{
"id": "mp-1029851",
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"spacegroup": 61
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{
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"structure_string": "Te8 I32\n1.0\n-8.883476 8.883476 6.205328\n8.883476 -8.883476 6.205328\n8.883476 8.883476 -6.205328\nTe I\n8 32\ndirect\n0.358615 0.496181 0.137567 Te\n0.503819 0.641385 0.862433 Te\n0.746181 0.108615 0.637567 Te\n0.358615 0.221048 0.862433 Te\n0.778952 0.641385 0.137567 Te\n0.891385 0.253819 0.362433 Te\n0.891385 0.528952 0.637567 Te\n0.471048 0.108615 0.362433 Te\n0.763148 0.137052 0.139841 I\n0.990601 0.865960 0.124641 I\n0.486852 0.126693 0.873904 I\n0.115960 0.491318 0.375359 I\n0.387052 0.747212 0.873904 I\n0.376693 0.236852 0.373904 I\n0.255671 0.377504 0.878167 I\n0.134040 0.009399 0.875359 I\n0.508682 0.884040 0.624641 I\n0.387052 0.513148 0.639841 I\n0.115960 0.740601 0.624641 I\n0.376693 0.002788 0.139841 I\n0.622496 0.500663 0.878167 I\n0.750663 0.372496 0.378167 I\n0.997212 0.623307 0.860159 I\n0.252788 0.126693 0.639841 I\n0.134040 0.258682 0.124641 I\n0.252788 0.612948 0.126096 I\n0.486852 0.612948 0.360159 I\n0.873307 0.513148 0.126096 I\n0.862948 0.002788 0.626096 I\n0.627504 0.249337 0.621833 I\n0.499337 0.377504 0.121833 I\n0.862948 0.236852 0.860159 I\n0.622496 0.744329 0.121833 I\n0.873307 0.747212 0.360159 I\n0.627504 0.005671 0.378167 I\n0.763148 0.623307 0.626096 I\n0.994329 0.372496 0.621833 I\n0.741318 0.865960 0.875359 I\n0.997212 0.137052 0.373904 I\n0.259399 0.884040 0.375359 I\n",
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{
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"structure_string": "Mg1 Al4 H12 O12\n1.0\n-3.994375 3.164342 4.745802\n5.033679 -1.701897 5.468389\n3.944071 1.922050 -5.748680\nMg Al H O\n1 4 12 12\ndirect\n0.440702 0.637325 0.577696 Mg\n0.495216 0.851460 0.301393 Al\n0.497608 0.156910 0.669079 Al\n0.000959 0.669035 0.655580 Al\n0.983634 0.308318 0.332900 Al\n0.994410 0.967098 0.554589 H\n0.953094 0.945131 0.229090 H\n0.569479 0.507352 0.838345 H\n0.449896 0.489763 0.186331 H\n0.885850 0.623965 0.208236 H\n0.842672 0.323560 0.565256 H\n0.327774 0.140054 0.218571 H\n0.766568 0.931789 0.802781 H\n0.563223 0.749591 0.996650 H\n0.491165 0.083526 0.987445 H\n0.985706 0.372180 0.998797 H\n0.949013 0.711395 0.000986 H\n0.903530 0.894670 0.579345 O\n0.080824 0.075319 0.388513 O\n0.408299 0.385331 0.626637 O\n0.555750 0.598840 0.367441 O\n0.022543 0.582586 0.391227 O\n0.987394 0.405465 0.606530 O\n0.497092 0.111402 0.387294 O\n0.551495 0.906227 0.627359 O\n0.411689 0.797347 0.979706 O\n0.574227 0.191699 0.994727 O\n0.922614 0.264752 0.008287 O\n0.081259 0.743762 0.986746 O\n",
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"formula_full": "Mg1 Al4 H12 O12",
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{
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"structure_string": "K16 Sn16\n1.0\n-5.761550 5.761550 9.446743\n5.761550 -5.761550 9.446743\n5.761550 5.761550 -9.446743\nK Sn\n16 16\ndirect\n0.487456 0.375000 0.612456 K\n0.628203 0.871797 0.000000 K\n0.128203 0.128203 0.756406 K\n0.262544 0.875000 0.887544 K\n0.371797 0.371797 0.243594 K\n0.871797 0.628203 0.000000 K\n0.625000 0.737456 0.612456 K\n0.762544 0.875000 0.387544 K\n0.878203 0.621797 0.500000 K\n0.987456 0.375000 0.112456 K\n0.125000 0.012544 0.387544 K\n0.121797 0.378203 0.500000 K\n0.125000 0.512544 0.887544 K\n0.378203 0.878203 0.256406 K\n0.621797 0.121797 0.743594 K\n0.625000 0.237456 0.112456 K\n0.871338 0.193195 0.451964 Sn\n0.508769 0.556805 0.178143 Sn\n0.080626 0.758769 0.451964 Sn\n0.241231 0.693195 0.321857 Sn\n0.806805 0.258769 0.678143 Sn\n0.669374 0.491231 0.048036 Sn\n0.443195 0.621338 0.951964 Sn\n0.580626 0.128662 0.321857 Sn\n0.169374 0.121338 0.178143 Sn\n0.878662 0.056805 0.048036 Sn\n0.378662 0.330626 0.821857 Sn\n0.306805 0.628662 0.548036 Sn\n0.371338 0.919374 0.678143 Sn\n0.741231 0.419374 0.548036 Sn\n0.943195 0.991231 0.821857 Sn\n0.008769 0.830626 0.951964 Sn\n",
"nsites": 32,
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"volume": 1254.3558571824321,
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"formula_full": "K16 Sn16",
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},
{
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"structure_string": "Na6 Mg6 B6 P12 O66\n1.0\n4.993188 -8.648455 0.000000\n4.993188 8.648455 0.000000\n0.000000 0.000000 14.926089\nNa Mg B P O\n6 6 6 12 66\ndirect\n0.256698 0.513397 0.250000 Na\n0.486603 0.743302 0.583333 Na\n0.743302 0.486603 0.750000 Na\n0.513397 0.256698 0.083333 Na\n0.256698 0.743302 0.916667 Na\n0.743302 0.256698 0.416667 Na\n0.510823 0.021646 0.250000 Mg\n0.978354 0.489177 0.583333 Mg\n0.489177 0.978354 0.750000 Mg\n0.021646 0.510823 0.083333 Mg\n0.510823 0.489177 0.916667 Mg\n0.489177 0.510823 0.416667 Mg\n0.840536 0.681072 0.250000 B\n0.318928 0.159464 0.583333 B\n0.159464 0.318928 0.750000 B\n0.681072 0.840536 0.083333 B\n0.840536 0.159464 0.916667 B\n0.159464 0.840536 0.416667 B\n0.381301 0.153187 0.405155 P\n0.846813 0.228115 0.738488 P\n0.618699 0.846813 0.905155 P\n0.153187 0.381301 0.928178 P\n0.771885 0.618699 0.071822 P\n0.153187 0.771885 0.238488 P\n0.228115 0.846813 0.594845 P\n0.846813 0.618699 0.428178 P\n0.228115 0.381301 0.571822 P\n0.771885 0.153187 0.094845 P\n0.618699 0.771885 0.261512 P\n0.381301 0.228115 0.761512 P\n0.628316 0.135907 0.143065 O\n0.864093 0.492409 0.476398 O\n0.371684 0.864093 0.643065 O\n0.135907 0.628316 0.190269 O\n0.507591 0.371684 0.809731 O\n0.135907 0.507591 0.976398 O\n0.492409 0.864093 0.856935 O\n0.864093 0.371684 0.690269 O\n0.492409 0.628316 0.309731 O\n0.507591 0.135907 0.356935 O\n0.371684 0.507591 0.523602 O\n0.628316 0.492409 0.023602 O\n0.219334 0.005448 0.393058 O\n0.994552 0.213886 0.726391 O\n0.780666 0.994552 0.893058 O\n0.005448 0.219334 0.940275 O\n0.786114 0.780666 0.059725 O\n0.005448 0.786114 0.226391 O\n0.213886 0.994552 0.606942 O\n0.994552 0.780666 0.440275 O\n0.213886 0.219334 0.559725 O\n0.786114 0.005448 0.106942 O\n0.780666 0.786114 0.273609 O\n0.219334 0.213886 0.773609 O\n0.424317 0.176255 0.508334 O\n0.823745 0.248062 0.841667 O\n0.575683 0.823745 0.008334 O\n0.176255 0.424317 0.825000 O\n0.751938 0.575683 0.175000 O\n0.176255 0.751938 0.341667 O\n0.248062 0.823745 0.491666 O\n0.823745 0.575683 0.325000 O\n0.248062 0.424317 0.675000 O\n0.751938 0.176255 0.991666 O\n0.575683 0.751938 0.158333 O\n0.424317 0.248062 0.658333 O\n0.377837 0.296703 0.373121 O\n0.703297 0.081134 0.706454 O\n0.622163 0.703297 0.873121 O\n0.296703 0.377837 0.960213 O\n0.918866 0.622163 0.039787 O\n0.296703 0.918866 0.206454 O\n0.081134 0.703297 0.626879 O\n0.703297 0.622163 0.460213 O\n0.081134 0.377837 0.539787 O\n0.918866 0.296703 0.126879 O\n0.622163 0.918866 0.293546 O\n0.377837 0.081134 0.793546 O\n0.216697 0.000000 0.000000 O\n0.000000 0.216697 0.333333 O\n0.783303 0.000000 0.500000 O\n0.783303 0.783303 0.666667 O\n0.000000 0.783303 0.833333 O\n0.216697 0.216697 0.166667 O\n0.230980 0.340477 0.128632 O\n0.659523 0.890503 0.461965 O\n0.769020 0.659523 0.628632 O\n0.340477 0.230980 0.204701 O\n0.109497 0.769020 0.795299 O\n0.340477 0.109497 0.961965 O\n0.890503 0.659523 0.871368 O\n0.659523 0.769020 0.704701 O\n0.890503 0.230980 0.295299 O\n0.109497 0.340477 0.371368 O\n0.769020 0.109497 0.538035 O\n0.230980 0.890503 0.038035 O\n",
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