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{
"id": "mp-10967",
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{
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{
"id": "mp-1047769",
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"structure_string": "Mg6 Mn6 As8 O32\n1.0\n5.267858 0.000000 0.000000\n0.000000 8.713788 0.000000\n0.000000 6.281230 15.211014\nMg Mn As O\n6 6 8 32\ndirect\n0.551636 0.316724 0.210361 Mg\n0.051636 0.683276 0.289639 Mg\n0.448364 0.683276 0.789639 Mg\n0.948364 0.316724 0.710361 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.496897 0.195326 0.625436 Mn\n0.503103 0.804674 0.374564 Mn\n0.996897 0.804674 0.874564 Mn\n0.003103 0.195326 0.125436 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.982319 0.031923 0.352810 As\n0.503976 0.417072 0.392543 As\n0.003976 0.582928 0.107457 As\n0.996024 0.417072 0.892543 As\n0.017681 0.968077 0.647190 As\n0.496024 0.582928 0.607457 As\n0.517681 0.031923 0.852810 As\n0.482319 0.968077 0.147190 As\n0.390531 0.820091 0.248130 O\n0.954242 0.751961 0.012248 O\n0.421129 0.394920 0.299195 O\n0.401133 0.162572 0.150309 O\n0.578871 0.605080 0.700805 O\n0.109469 0.820091 0.748130 O\n0.921129 0.605080 0.200805 O\n0.700414 0.504680 0.890131 O\n0.687101 0.072416 0.928465 O\n0.609469 0.179909 0.751870 O\n0.098867 0.162572 0.650309 O\n0.299586 0.495320 0.109869 O\n0.294320 0.569351 0.401885 O\n0.312899 0.927584 0.071535 O\n0.693923 0.977456 0.629212 O\n0.193923 0.022544 0.870788 O\n0.794320 0.430649 0.098115 O\n0.078871 0.394920 0.799195 O\n0.187101 0.927584 0.571535 O\n0.200414 0.495320 0.609869 O\n0.806077 0.977456 0.129212 O\n0.306077 0.022544 0.370788 O\n0.045758 0.248039 0.987752 O\n0.454242 0.248039 0.487752 O\n0.705680 0.430649 0.598115 O\n0.890531 0.179909 0.251870 O\n0.598867 0.837428 0.849691 O\n0.812899 0.072416 0.428465 O\n0.545758 0.751961 0.512248 O\n0.799586 0.504680 0.390131 O\n0.205680 0.569351 0.901885 O\n0.901133 0.837428 0.349691 O\n",
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"formula_full": "Mg6 Mn6 As8 O32",
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"spacegroup": 14
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{
"id": "mp-567472",
"created_at": "2022-09-04T14:48:08.654235Z",
"structure_string": "Cu12 P48 I12\n1.0\n13.957393 0.000000 0.000000\n0.000000 9.841236 0.000000\n0.000000 4.309782 12.443573\nCu P I\n12 48 12\ndirect\n0.040432 0.790791 0.848086 Cu\n0.107630 0.005744 0.076439 Cu\n0.317403 0.904401 0.938738 Cu\n0.763684 0.795083 0.709938 Cu\n0.540432 0.209209 0.151914 Cu\n0.817403 0.095599 0.061262 Cu\n0.213716 0.789022 0.512312 Cu\n0.489721 0.793583 0.642266 Cu\n0.989721 0.206417 0.357734 Cu\n0.607630 0.994256 0.923561 Cu\n0.263684 0.204917 0.290062 Cu\n0.713716 0.210978 0.487688 Cu\n0.118991 0.589323 0.558237 P\n0.393562 0.308374 0.511928 P\n0.060174 0.385858 0.902542 P\n0.197164 0.385437 0.652181 P\n0.730045 0.450469 0.662516 P\n0.798234 0.675884 0.031421 P\n0.344697 0.467047 0.590305 P\n0.135085 0.590726 0.898384 P\n0.994500 0.307741 0.174764 P\n0.522856 0.456303 0.859979 P\n0.912376 0.466729 0.923518 P\n0.171431 0.563944 0.068367 P\n0.494500 0.692259 0.825236 P\n0.281378 0.546402 0.850677 P\n0.363237 0.695277 0.922251 P\n0.719353 0.667008 0.881616 P\n0.473428 0.458633 0.369961 P\n0.807698 0.349619 0.553757 P\n0.219353 0.332992 0.118384 P\n0.230045 0.549531 0.337484 P\n0.091917 0.233464 0.070465 P\n0.863237 0.304723 0.077749 P\n0.037709 0.330038 0.467663 P\n0.560174 0.614142 0.097458 P\n0.844697 0.532953 0.409695 P\n0.591917 0.766536 0.929535 P\n0.412376 0.533271 0.076482 P\n0.167073 0.231403 0.560003 P\n0.973428 0.541367 0.630039 P\n0.455829 0.681026 0.379578 P\n0.581672 0.435920 0.598102 P\n0.307698 0.650381 0.446243 P\n0.947142 0.648745 0.981072 P\n0.022856 0.543697 0.140021 P\n0.618991 0.410677 0.441763 P\n0.955829 0.318974 0.620422 P\n0.671431 0.436056 0.931633 P\n0.635085 0.409274 0.101616 P\n0.537709 0.669962 0.532337 P\n0.447142 0.351255 0.018928 P\n0.260329 0.314348 0.417702 P\n0.298234 0.324116 0.968579 P\n0.760329 0.685652 0.582298 P\n0.081672 0.564080 0.401898 P\n0.781378 0.453598 0.149323 P\n0.667073 0.768597 0.439997 P\n0.893562 0.691626 0.488072 P\n0.697164 0.614563 0.347819 P\n0.941286 0.896783 0.675099 I\n0.814715 0.103896 0.369721 I\n0.281954 0.901768 0.137733 I\n0.138727 0.003014 0.871915 I\n0.441286 0.103217 0.324901 I\n0.638727 0.996986 0.128085 I\n0.441321 0.110647 0.846909 I\n0.941321 0.889353 0.153091 I\n0.314715 0.896104 0.630279 I\n0.626530 0.997391 0.633095 I\n0.781954 0.098232 0.862267 I\n0.126530 0.002609 0.366905 I\n",
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{
"id": "mp-1210524",
"created_at": "2022-09-04T14:48:08.655968Z",
"structure_string": "Lu10 Sb2 Pt4\n1.0\n-3.785530 3.785530 6.775953\n3.785530 -3.785530 6.775953\n3.785530 3.785530 -6.775953\nLu Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.798557 0.298557 0.820431 Lu\n0.201443 0.701443 0.179569 Lu\n0.478126 0.978126 0.179569 Lu\n0.298557 0.478126 0.500000 Lu\n0.021874 0.201443 0.500000 Lu\n0.521874 0.021874 0.820431 Lu\n0.701443 0.521874 0.500000 Lu\n0.978126 0.798557 0.500000 Lu\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136927 0.636927 0.773853 Pt\n0.863073 0.363073 0.226147 Pt\n0.636927 0.863073 0.500000 Pt\n0.363073 0.136927 0.500000 Pt\n",
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{
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"structure_string": "Rb4 P44\n1.0\n9.796475 0.000000 0.000000\n0.000000 6.868002 0.000000\n0.000000 1.260552 18.721642\nRb P\n4 44\ndirect\n0.474779 0.930053 0.672427 Rb\n0.525221 0.069947 0.327573 Rb\n0.974779 0.069947 0.327573 Rb\n0.025221 0.930053 0.672427 Rb\n0.403946 0.844342 0.086430 P\n0.596054 0.155658 0.913570 P\n0.903946 0.155658 0.913570 P\n0.096054 0.844342 0.086430 P\n0.750000 0.796286 0.220437 P\n0.250000 0.203714 0.779563 P\n0.910671 0.681433 0.060936 P\n0.089329 0.318567 0.939064 P\n0.410671 0.318567 0.939064 P\n0.589329 0.681433 0.060936 P\n0.750000 0.751055 0.464200 P\n0.250000 0.248945 0.535800 P\n0.750000 0.352629 0.956943 P\n0.250000 0.647371 0.043057 P\n0.367335 0.776648 0.203037 P\n0.632665 0.223352 0.796963 P\n0.867335 0.223352 0.796963 P\n0.132665 0.776648 0.203037 P\n0.750000 0.737585 0.579623 P\n0.250000 0.262415 0.420377 P\n0.750000 0.869932 0.106755 P\n0.250000 0.130068 0.893245 P\n0.909575 0.543534 0.430113 P\n0.090425 0.456466 0.569887 P\n0.409575 0.456466 0.569887 P\n0.590425 0.543534 0.430113 P\n0.750000 0.482270 0.217049 P\n0.250000 0.517730 0.782951 P\n0.750000 0.623106 0.875718 P\n0.250000 0.376894 0.124282 P\n0.404509 0.454326 0.203350 P\n0.595491 0.545674 0.796650 P\n0.904509 0.545674 0.796650 P\n0.095491 0.454326 0.203350 P\n0.409925 0.686717 0.477045 P\n0.590075 0.313283 0.522955 P\n0.909925 0.313283 0.522955 P\n0.090075 0.686717 0.477045 P\n0.912590 0.414585 0.137848 P\n0.087410 0.585415 0.862152 P\n0.412590 0.585415 0.862152 P\n0.587410 0.414585 0.137848 P\n0.750000 0.422791 0.594910 P\n0.250000 0.577209 0.405090 P\n",
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{
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"structure_string": "Mn12 O10 F14\n1.0\n4.701026 0.000000 0.000000\n-0.005567 5.714295 0.000000\n-0.106589 -0.182632 15.627342\nMn O F\n12 10 14\ndirect\n0.998501 0.844964 0.410498 Mn\n0.012522 0.155117 0.246429 Mn\n0.998981 0.829893 0.071456 Mn\n0.950753 0.842508 0.749645 Mn\n0.953895 0.160390 0.583312 Mn\n0.972522 0.138236 0.911820 Mn\n0.508994 0.660952 0.591278 Mn\n0.506819 0.654682 0.917724 Mn\n0.496215 0.658560 0.259630 Mn\n0.468025 0.365087 0.089071 Mn\n0.515468 0.342001 0.419110 Mn\n0.519466 0.346899 0.751148 Mn\n0.797391 0.886871 0.301623 O\n0.763514 0.893417 0.641776 O\n0.781005 0.878600 0.967094 O\n0.776650 0.106713 0.467622 O\n0.771455 0.104242 0.805725 O\n0.707761 0.402829 0.644460 O\n0.709043 0.601060 0.810409 O\n0.284016 0.625926 0.024352 O\n0.276134 0.394611 0.199813 O\n0.299569 0.612607 0.366990 O\n0.765558 0.113324 0.130370 F\n0.731467 0.627433 0.150018 F\n0.767700 0.382606 0.309020 F\n0.750171 0.593932 0.477511 F\n0.729567 0.381220 0.983049 F\n0.261810 0.392170 0.533730 F\n0.269059 0.366242 0.861728 F\n0.229540 0.621894 0.699195 F\n0.235278 0.899194 0.180854 F\n0.235080 0.879971 0.526845 F\n0.269999 0.113626 0.357275 F\n0.225267 0.126230 0.015597 F\n0.224167 0.866806 0.850283 F\n0.236638 0.129186 0.693542 F\n",
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{
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{
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"structure_string": "Li4 Fe8 P12 O48\n1.0\n8.779168 0.000000 0.000000\n0.008101 8.819961 0.000000\n0.026072 0.046504 12.274215\nLi Fe P O\n4 8 12 48\ndirect\n0.709150 0.727595 0.685894 Li\n0.215744 0.778116 0.180721 Li\n0.066101 0.090395 0.708587 Li\n0.061163 0.408810 0.288174 Li\n0.741423 0.044827 0.615653 Fe\n0.738789 0.466659 0.380853 Fe\n0.752310 0.533511 0.886584 Fe\n0.753615 0.960208 0.117903 Fe\n0.255687 0.034774 0.886911 Fe\n0.257686 0.456100 0.109940 Fe\n0.249153 0.537970 0.618283 Fe\n0.249610 0.966266 0.386809 Fe\n0.958968 0.751606 0.502290 P\n0.892560 0.895616 0.852262 P\n0.896889 0.608434 0.146630 P\n0.605075 0.396718 0.645983 P\n0.607544 0.107003 0.354212 P\n0.540204 0.248464 0.998509 P\n0.466547 0.747288 0.000964 P\n0.389760 0.893642 0.647561 P\n0.381792 0.603103 0.351756 P\n0.106055 0.107641 0.146751 P\n0.109477 0.390523 0.853683 P\n0.037023 0.250531 0.499498 P\n0.939361 0.346991 0.420834 O\n0.944049 0.145219 0.575234 O\n0.936435 0.412860 0.843140 O\n0.930876 0.094326 0.147171 O\n0.839477 0.562359 0.033993 O\n0.830426 0.940544 0.964037 O\n0.869366 0.644280 0.427617 O\n0.843679 0.838022 0.574765 O\n0.835223 0.734964 0.823015 O\n0.852812 0.772837 0.171419 O\n0.844326 0.010553 0.763012 O\n0.838845 0.494076 0.233914 O\n0.671560 0.512383 0.728379 O\n0.682466 0.999204 0.271424 O\n0.646732 0.273364 0.328834 O\n0.652021 0.233119 0.670394 O\n0.650821 0.340910 0.928138 O\n0.632376 0.141141 0.071344 O\n0.661669 0.445483 0.532544 O\n0.661597 0.063065 0.468342 O\n0.556301 0.589855 0.343681 O\n0.564119 0.910175 0.663488 O\n0.562598 0.641609 0.930970 O\n0.566087 0.842509 0.078408 O\n0.444775 0.349846 0.073356 O\n0.439439 0.155879 0.920831 O\n0.429702 0.406583 0.649189 O\n0.434003 0.087168 0.341170 O\n0.343771 0.931320 0.529799 O\n0.328919 0.566845 0.468187 O\n0.378593 0.855650 0.926020 O\n0.351898 0.661434 0.074685 O\n0.332356 0.767227 0.322064 O\n0.352373 0.725265 0.671576 O\n0.296593 0.998808 0.724021 O\n0.301991 0.491906 0.272817 O\n0.180380 0.501364 0.771058 O\n0.170124 0.990832 0.229796 O\n0.144402 0.222491 0.825997 O\n0.146681 0.273504 0.174581 O\n0.131377 0.352738 0.574651 O\n0.146968 0.160239 0.426745 O\n0.167803 0.431057 0.966781 O\n0.169616 0.060892 0.035545 O\n0.073655 0.597290 0.153162 O\n0.068549 0.902401 0.855784 O\n0.060050 0.657631 0.580023 O\n0.057669 0.855981 0.431624 O\n",
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}