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{
"id": "mp-1188364",
"created_at": "2022-09-04T14:40:18.524149Z",
"structure_string": "Tl4 Hg6 S8\n1.0\n3.382128 6.070574 0.000000\n-3.382128 6.070574 0.000000\n0.000000 5.769244 12.373673\nTl Hg S\n4 6 8\ndirect\n0.107765 0.255670 0.942803 Tl\n0.744330 0.892235 0.557197 Tl\n0.892235 0.744330 0.057197 Tl\n0.255670 0.107765 0.442803 Tl\n0.124429 0.875571 0.250000 Hg\n0.875571 0.124429 0.750000 Hg\n0.554351 0.329038 0.152756 Hg\n0.670962 0.445649 0.347244 Hg\n0.445649 0.670962 0.847244 Hg\n0.329038 0.554351 0.652756 Hg\n0.712959 0.937731 0.252107 S\n0.062269 0.287041 0.247893 S\n0.287041 0.062269 0.747893 S\n0.937731 0.712959 0.752107 S\n0.266587 0.568694 0.422651 S\n0.431306 0.733413 0.077349 S\n0.733413 0.431306 0.577349 S\n0.568694 0.266587 0.922651 S\n",
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{
"id": "mp-684065",
"created_at": "2022-09-04T14:40:18.524010Z",
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0.711588 0.160264 B\n0.051055 0.191091 0.326750 B\n0.641865 0.453185 0.679906 B\n0.461588 0.801325 0.515345 B\n0.046815 0.858135 0.320094 B\n0.053757 0.538412 0.339736 B\n0.788412 0.803757 0.839736 B\n0.108135 0.796815 0.820094 B\n0.288412 0.448675 0.984655 B\n0.608135 0.788041 0.311320 B\n0.038041 0.358135 0.811320 B\n0.538041 0.726721 0.679906 B\n0.785979 0.301325 0.339736 B\n0.141865 0.461959 0.188680 B\n0.198945 0.025694 0.640036 B\n0.711959 0.891865 0.688680 B\n0.773279 0.961959 0.320094 B\n0.961588 0.446243 0.660264 B\n0.703185 0.391865 0.179906 B\n0.808909 0.135658 0.859964 B\n0.385658 0.558909 0.359964 B\n0.698675 0.038412 0.484655 B\n0.698945 0.058909 0.173250 B\n0.273279 0.953185 0.811320 B\n0.476721 0.296815 0.688680 B\n0.974306 0.614342 0.173250 B\n0.976721 0.288041 0.179906 B\n0.964021 0.948675 0.160264 B\n0.051325 0.211588 0.015345 B\n0.474306 0.301055 0.359964 B\n0.203185 0.023279 0.311320 B\n0.551055 0.224306 0.859964 B\n0.308909 0.448945 0.673250 B\n0.864342 0.724306 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O\n0.664520 0.339442 0.020799 O\n0.431357 0.606279 0.520799 O\n0.931357 0.410558 0.825078 O\n0.905847 0.405847 0.500000 O\n0.311828 0.994465 0.636172 O\n0.094153 0.594153 0.500000 O\n0.660558 0.681357 0.325078 O\n0.160558 0.835480 0.979201 O\n0.197491 0.486100 0.681367 O\n0.318643 0.643721 0.979201 O\n0.155847 0.155847 0.000000 O\n0.324344 0.688172 0.682637 O\n",
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"elements": [
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"formula_full": "Ti20 B48 O104",
"formula_reduced": "Ti5(B6O13)2",
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"updated_at": "2021-11-28T01:35:03.785000Z",
"spacegroup": 142
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{
"id": "mp-1246893",
"created_at": "2022-09-04T14:40:18.515978Z",
"structure_string": "Sm1 Mg2 Mn3 S8\n1.0\n6.499502 0.052848 3.841274\n2.216508 6.106801 3.840992\n0.075958 0.053345 7.550965\nSm Mg Mn S\n1 2 3 8\ndirect\n0.500014 0.500005 0.499979 Sm\n0.874188 0.874159 0.874240 Mg\n0.125809 0.125842 0.125768 Mg\n0.499941 0.499996 0.000011 Mn\n0.000010 0.500008 0.499993 Mn\n0.500047 0.000009 0.499999 Mn\n0.740392 0.740302 0.740298 S\n0.241542 0.241711 0.721522 S\n0.241660 0.721442 0.241642 S\n0.721482 0.241754 0.241540 S\n0.758319 0.278570 0.758356 S\n0.278516 0.758245 0.758442 S\n0.259603 0.259666 0.259732 S\n0.758481 0.758287 0.278480 S\n",
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{
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{
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{
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"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.747294 0.000000 0.000000\n-1.898118 9.073497 0.000000\n-1.906452 -4.679185 7.830870\nLi V P H O\n2 4 8 4 32\ndirect\n0.652386 0.632639 0.460190 Li\n0.347322 0.369267 0.042225 Li\n0.499623 0.000752 0.248557 V\n0.005115 0.498360 0.499307 V\n0.985225 0.504001 0.996545 V\n0.502806 0.998408 0.755121 V\n0.732209 0.346770 0.259686 P\n0.730888 0.350156 0.754702 P\n0.772412 0.854882 0.643656 P\n0.772663 0.854386 0.146012 P\n0.234545 0.150760 0.355662 P\n0.232298 0.153099 0.852178 P\n0.262064 0.655679 0.740585 P\n0.260272 0.652527 0.240571 P\n0.486182 0.509028 0.757494 H\n0.489318 0.508464 0.254097 H\n0.012236 0.008938 0.486422 H\n0.011493 0.006476 0.984850 H\n0.947515 0.947642 0.116687 O\n0.648638 0.946224 0.172435 O\n0.356358 0.174833 0.010693 O\n0.312825 0.826498 0.224207 O\n0.843511 0.447626 0.628979 O\n0.851325 0.444358 0.133494 O\n0.685503 0.173088 0.271830 O\n0.643047 0.824096 0.492415 O\n0.558777 0.454697 0.680789 O\n0.553269 0.445415 0.182967 O\n0.350583 0.057151 0.325640 O\n0.185614 0.326376 0.190787 O\n0.185394 0.329222 0.695247 O\n0.950933 0.944920 0.622509 O\n0.863687 0.338239 0.930148 O\n0.862261 0.332922 0.431409 O\n0.138230 0.672195 0.566702 O\n0.137639 0.660324 0.067607 O\n0.052488 0.057252 0.376719 O\n0.826214 0.671543 0.809792 O\n0.808433 0.676225 0.305122 O\n0.651394 0.940741 0.676279 O\n0.441987 0.549463 0.822833 O\n0.445810 0.556831 0.315132 O\n0.363466 0.162231 0.518271 O\n0.323645 0.829751 0.729873 O\n0.156442 0.553412 0.871581 O\n0.148079 0.552240 0.363854 O\n0.679595 0.171007 0.775119 O\n0.637389 0.842101 0.980636 O\n0.352870 0.057059 0.828274 O\n0.053555 0.053482 0.875649 O\n",
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"formula_full": "Li2 V4 P8 H4 O32",
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{
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