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{
"id": "mp-1639499",
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"structure_string": "Li8 Ti2 Co10 O24\n1.0\n2.454638 4.239106 -0.408599\n-2.894531 3.555783 9.774426\n7.397295 -4.235497 -0.022796\nLi Ti Co O\n8 2 10 24\ndirect\n0.038241 0.740755 0.203593 Li\n0.535317 0.744658 0.706248 Li\n0.461691 0.256097 0.960413 Li\n0.963412 0.258822 0.462021 Li\n0.536747 0.745103 0.036914 Li\n0.044212 0.744079 0.540348 Li\n0.963882 0.255103 0.792403 Li\n0.462621 0.255843 0.293783 Li\n0.987265 0.006934 0.002142 Ti\n0.497183 0.993079 0.501070 Ti\n0.250178 0.499830 0.914841 Co\n0.750163 0.500001 0.414994 Co\n0.749819 0.500083 0.084638 Co\n0.250060 0.499949 0.584716 Co\n0.003912 0.998796 0.667235 Co\n0.497667 0.001053 0.165835 Co\n0.498986 0.000046 0.833423 Co\n0.002130 0.000023 0.333465 Co\n0.750063 0.500068 0.750424 Co\n0.250146 0.500105 0.250420 Co\n0.403068 0.601708 0.803367 O\n0.903097 0.601653 0.303291 O\n0.596508 0.398663 0.200832 O\n0.096568 0.398080 0.700767 O\n0.826815 0.104607 0.553285 O\n0.320622 0.107004 0.052993 O\n0.191681 0.883847 0.453048 O\n0.673904 0.892344 0.944823 O\n0.311890 0.107542 0.725603 O\n0.798958 0.114527 0.218241 O\n0.186805 0.894394 0.118383 O\n0.695169 0.891575 0.618153 O\n0.809494 0.109188 0.880497 O\n0.311876 0.107031 0.384236 O\n0.688548 0.893566 0.273789 O\n0.189855 0.893923 0.777896 O\n0.105681 0.399051 0.027436 O\n0.605910 0.399113 0.527603 O\n0.600391 0.399117 0.868944 O\n0.100884 0.399001 0.368911 O\n0.394115 0.601242 0.128918 O\n0.894482 0.600863 0.629028 O\n0.899905 0.600905 0.970388 O\n0.400079 0.600629 0.470638 O\n",
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{
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{
"id": "mp-1040346",
"created_at": "2022-09-04T14:45:05.404428Z",
"structure_string": "K1 La1 Mg30 O32\n1.0\n8.666049 0.000000 0.000000\n0.000000 8.666049 0.000000\n0.000000 0.000000 8.770531\nK La Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.259658 0.241874 Mg\n0.000000 0.259658 0.758126 Mg\n0.000000 0.740342 0.241874 Mg\n0.000000 0.740342 0.758126 Mg\n0.500000 0.250847 0.248262 Mg\n0.500000 0.250847 0.751738 Mg\n0.500000 0.749153 0.248262 Mg\n0.500000 0.749153 0.751738 Mg\n0.259658 0.000000 0.241874 Mg\n0.259658 0.000000 0.758126 Mg\n0.250847 0.500000 0.248262 Mg\n0.250847 0.500000 0.751738 Mg\n0.740342 0.000000 0.241874 Mg\n0.740342 0.000000 0.758126 Mg\n0.749153 0.500000 0.248262 Mg\n0.749153 0.500000 0.751738 Mg\n0.252239 0.252239 0.000000 Mg\n0.258067 0.258067 0.500000 Mg\n0.252239 0.747761 0.000000 Mg\n0.258067 0.741933 0.500000 Mg\n0.747761 0.252239 0.000000 Mg\n0.741933 0.258067 0.500000 Mg\n0.747761 0.747761 0.000000 Mg\n0.741933 0.741933 0.500000 Mg\n0.275081 0.000000 0.000000 O\n0.270651 0.000000 0.500000 O\n0.254944 0.500000 0.000000 O\n0.254339 0.500000 0.500000 O\n0.724919 0.000000 0.000000 O\n0.729349 0.000000 0.500000 O\n0.745056 0.500000 0.000000 O\n0.745661 0.500000 0.500000 O\n0.249436 0.249436 0.250533 O\n0.249436 0.249436 0.749467 O\n0.249436 0.750564 0.250533 O\n0.249436 0.750564 0.749467 O\n0.750564 0.249436 0.250533 O\n0.750564 0.249436 0.749467 O\n0.750564 0.750564 0.250533 O\n0.750564 0.750564 0.749467 O\n0.000000 0.000000 0.253074 O\n0.000000 0.000000 0.746926 O\n0.000000 0.500000 0.251451 O\n0.000000 0.500000 0.748549 O\n0.500000 0.000000 0.251451 O\n0.500000 0.000000 0.748549 O\n0.500000 0.500000 0.250831 O\n0.500000 0.500000 0.749169 O\n0.000000 0.275081 0.000000 O\n0.000000 0.270651 0.500000 O\n0.000000 0.724919 0.000000 O\n0.000000 0.729349 0.500000 O\n0.500000 0.254944 0.000000 O\n0.500000 0.254339 0.500000 O\n0.500000 0.745056 0.000000 O\n0.500000 0.745661 0.500000 O\n",
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"spacegroup": 123
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{
"id": "mp-772810",
"created_at": "2022-09-04T14:45:05.598300Z",
"structure_string": "V4 Sb2 P6 O24\n1.0\n7.731805 -4.356657 0.000000\n7.731805 4.356657 0.000000\n5.276950 0.000000 7.135479\nV Sb P O\n4 2 6 24\ndirect\n0.146274 0.146274 0.146274 V\n0.353726 0.353726 0.353726 V\n0.646274 0.646274 0.646274 V\n0.853726 0.853726 0.853726 V\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.461220 0.750000 0.038780 P\n0.750000 0.038780 0.461220 P\n0.038780 0.461220 0.750000 P\n0.961220 0.538780 0.250000 P\n0.250000 0.961220 0.538780 P\n0.538780 0.250000 0.961220 P\n0.507816 0.301689 0.116461 O\n0.116461 0.507816 0.301689 O\n0.267699 0.915976 0.061144 O\n0.301689 0.116461 0.507816 O\n0.616461 0.801689 0.007816 O\n0.438856 0.584024 0.232301 O\n0.915976 0.061144 0.267699 O\n0.584024 0.232301 0.438856 O\n0.992184 0.383539 0.198311 O\n0.232301 0.438856 0.584024 O\n0.938856 0.732301 0.084024 O\n0.198311 0.992184 0.383539 O\n0.801689 0.007816 0.616461 O\n0.061144 0.267699 0.915976 O\n0.767699 0.561144 0.415976 O\n0.007816 0.616461 0.801689 O\n0.415976 0.767699 0.561144 O\n0.084024 0.938856 0.732301 O\n0.561144 0.415976 0.767699 O\n0.383539 0.198311 0.992184 O\n0.698311 0.883539 0.492184 O\n0.732301 0.084024 0.938856 O\n0.883539 0.492184 0.698311 O\n0.492184 0.698311 0.883539 O\n",
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{
"id": "mp-1227664",
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"structure_string": "Ca14 In2 N8\n1.0\n0.000000 0.000000 3.586136\n12.178813 0.000000 0.000000\n0.000000 11.761385 0.000000\nCa In N\n14 2 8\ndirect\n0.499807 0.671707 0.235876 Ca\n0.499807 0.328293 0.764124 Ca\n0.500193 0.171707 0.264124 Ca\n0.500193 0.828293 0.735876 Ca\n0.499688 0.500000 0.000000 Ca\n0.500312 0.000000 0.500000 Ca\n0.998171 0.928646 0.270239 Ca\n0.998171 0.071354 0.729761 Ca\n0.001829 0.428646 0.229761 Ca\n0.001829 0.571354 0.770239 Ca\n0.003035 0.768924 0.480204 Ca\n0.003035 0.231076 0.519796 Ca\n0.996965 0.268924 0.019796 Ca\n0.996965 0.731076 0.980204 Ca\n0.601571 0.500000 0.500000 In\n0.398429 0.000000 0.000000 In\n0.999598 0.600779 0.130039 N\n0.999598 0.399221 0.869961 N\n0.000402 0.100779 0.369961 N\n0.000402 0.899221 0.630039 N\n0.500136 0.831492 0.360397 N\n0.500136 0.168508 0.639603 N\n0.499864 0.331492 0.139603 N\n0.499864 0.668508 0.860397 N\n",
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{
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{
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"structure_string": "Ba10 Y5 Fe15 O36\n1.0\n-8.866653 0.000000 0.000000\n-0.118722 -8.933456 0.000000\n1.813880 3.529750 11.914303\nBa Y Fe O\n10 5 15 36\ndirect\n0.933340 0.379657 0.174928 Ba\n0.128163 0.759673 0.173794 Ba\n0.340390 0.172143 0.179031 Ba\n0.540028 0.568879 0.179022 Ba\n0.735102 0.974863 0.181009 Ba\n0.066660 0.620343 0.825072 Ba\n0.264898 0.025137 0.818991 Ba\n0.459972 0.431121 0.820978 Ba\n0.659610 0.827857 0.820969 Ba\n0.871837 0.240327 0.826206 Ba\n0.800389 0.101577 0.499686 Y\n0.600713 0.701742 0.499919 Y\n0.399287 0.298258 0.500081 Y\n0.199611 0.898423 0.500314 Y\n0.000000 0.500000 0.500000 Y\n0.069101 0.135707 0.340676 Fe\n0.869976 0.741568 0.350248 Fe\n0.670482 0.343806 0.350332 Fe\n0.467111 0.936004 0.340385 Fe\n0.270112 0.534934 0.341610 Fe\n0.130024 0.258432 0.649752 Fe\n0.930899 0.864293 0.659324 Fe\n0.729888 0.465066 0.658390 Fe\n0.532889 0.063996 0.659615 Fe\n0.329518 0.656194 0.649668 Fe\n0.000000 0.000000 0.000000 Fe\n0.804088 0.599575 0.002377 Fe\n0.597847 0.201532 0.001395 Fe\n0.402153 0.798468 0.998605 Fe\n0.195912 0.400425 0.997623 Fe\n0.979819 0.956374 0.381503 O\n0.778284 0.555208 0.386684 O\n0.571173 0.145976 0.381534 O\n0.374853 0.752443 0.379775 O\n0.176128 0.349472 0.377186 O\n0.020181 0.043626 0.618497 O\n0.823872 0.650528 0.622814 O\n0.625147 0.247557 0.620225 O\n0.428827 0.854024 0.618466 O\n0.221716 0.444792 0.613316 O\n0.035916 0.069693 0.178699 O\n0.820043 0.676327 0.170633 O\n0.638153 0.265537 0.170010 O\n0.432714 0.872526 0.178963 O\n0.245470 0.466890 0.182225 O\n0.179957 0.323673 0.829367 O\n0.964084 0.930307 0.821301 O\n0.754530 0.533110 0.817775 O\n0.567286 0.127474 0.821037 O\n0.361847 0.734463 0.829990 O\n0.881790 0.814042 0.997842 O\n0.679897 0.405191 0.995361 O\n0.500000 0.000000 0.000000 O\n0.320103 0.594809 0.004639 O\n0.118210 0.185958 0.002158 O\n0.884125 0.249925 0.383860 O\n0.668512 0.856911 0.382215 O\n0.472021 0.455484 0.383991 O\n0.275654 0.052338 0.380824 O\n0.080859 0.648049 0.376741 O\n0.919141 0.351951 0.623259 O\n0.724346 0.947662 0.619176 O\n0.527979 0.544516 0.616009 O\n0.331488 0.143089 0.617785 O\n0.115875 0.750075 0.616140 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li9 Mn7 O16\n1.0\n5.761649 5.322038 0.000000\n-5.761649 5.322038 0.000000\n0.000000 2.066871 4.852510\nLi Mn O\n9 7 16\ndirect\n0.620342 0.379658 0.500000 Li\n0.258379 0.258379 0.491522 Li\n0.873847 0.126153 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.126153 0.873847 0.500000 Li\n0.741621 0.741621 0.508478 Li\n0.379658 0.620342 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.746622 0.253378 0.000000 Mn\n0.253378 0.746622 0.000000 Mn\n0.379035 0.130028 0.004866 Mn\n0.000000 0.000000 0.000000 Mn\n0.620965 0.869972 0.995134 Mn\n0.869972 0.620965 0.995134 Mn\n0.130028 0.379035 0.004866 Mn\n0.756695 0.492541 0.773381 O\n0.360820 0.360820 0.767655 O\n0.993554 0.241536 0.780726 O\n0.613775 0.112602 0.768306 O\n0.241536 0.993554 0.780726 O\n0.861416 0.861416 0.764287 O\n0.492541 0.756695 0.773381 O\n0.112602 0.613775 0.768306 O\n0.507459 0.243305 0.226619 O\n0.138584 0.138584 0.235713 O\n0.758464 0.006446 0.219274 O\n0.386225 0.887398 0.231694 O\n0.006446 0.758464 0.219274 O\n0.639180 0.639180 0.232345 O\n0.243305 0.507459 0.226619 O\n0.887398 0.386225 0.231694 O\n",
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