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{
"id": "mp-1218425",
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"structure_string": "Sr6 Ta2 Co2 O14\n1.0\n3.978025 0.000781 -0.000092\n1.988386 -1.960487 10.808480\n-0.001548 -7.838622 0.000936\nSr Ta Co O\n6 2 2 14\ndirect\n0.520109 0.959485 0.760267 Sr\n0.520434 0.959482 0.260250 Sr\n0.307902 0.384090 0.153987 Sr\n0.307894 0.384101 0.653981 Sr\n0.683154 0.633286 0.841696 Sr\n0.683596 0.633285 0.341682 Sr\n0.901541 0.197034 0.950813 Ta\n0.901540 0.197029 0.450815 Ta\n0.107994 0.784041 0.054329 Co\n0.108007 0.784045 0.554331 Co\n0.198584 0.602749 0.098947 O\n0.198573 0.602754 0.598947 O\n0.804568 0.391202 0.902204 O\n0.804565 0.391197 0.402209 O\n0.989912 0.020022 0.994931 O\n0.989908 0.020015 0.494933 O\n0.596808 0.806326 0.048303 O\n0.596801 0.806328 0.548304 O\n0.097293 0.804887 0.798633 O\n0.097770 0.804884 0.298624 O\n0.396246 0.207545 0.948195 O\n0.396244 0.207540 0.448199 O\n0.895268 0.209338 0.197711 O\n0.895292 0.209338 0.697711 O\n",
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{
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"structure_string": "La6 Cr2 W2 S6 O12\n1.0\n4.748880 -8.225301 0.000000\n4.748880 8.225301 0.000000\n0.000000 0.000000 5.630679\nLa Cr W S O\n6 2 2 6 12\ndirect\n0.680373 0.088890 0.250000 La\n0.319627 0.911110 0.750000 La\n0.911110 0.591483 0.250000 La\n0.408517 0.319627 0.250000 La\n0.591483 0.680373 0.750000 La\n0.088890 0.408517 0.750000 La\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.750000 W\n0.333333 0.666667 0.250000 W\n0.045504 0.226793 0.250000 S\n0.954496 0.773207 0.750000 S\n0.773207 0.818712 0.250000 S\n0.181288 0.954496 0.250000 S\n0.818712 0.045504 0.750000 S\n0.226793 0.181288 0.750000 S\n0.839514 0.365925 0.975189 O\n0.160486 0.634075 0.475189 O\n0.634075 0.473589 0.975189 O\n0.526411 0.160486 0.975189 O\n0.473589 0.839514 0.475189 O\n0.365925 0.526411 0.475189 O\n0.160486 0.634075 0.024811 O\n0.839514 0.365925 0.524811 O\n0.365925 0.526411 0.024811 O\n0.473589 0.839514 0.024811 O\n0.526411 0.160486 0.524811 O\n0.634075 0.473589 0.524811 O\n",
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"formula_full": "La6 Cr2 W2 S6 O12",
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"updated_at": "2021-11-28T01:34:24.722000Z",
"spacegroup": 176
},
{
"id": "mp-1195114",
"created_at": "2022-09-04T14:39:06.163291Z",
"structure_string": "K24 As24 O72\n1.0\n9.224077 0.000000 0.000000\n0.000000 19.669729 0.000000\n-0.077269 0.000000 12.397172\nK As O\n24 24 72\ndirect\n0.608147 0.577760 0.201694 K\n0.391853 0.077760 0.298306 K\n0.391853 0.422240 0.798306 K\n0.608147 0.922240 0.701694 K\n0.363678 0.425034 0.454890 K\n0.636322 0.925034 0.045110 K\n0.636322 0.574966 0.545110 K\n0.363678 0.074966 0.954890 K\n0.883583 0.425072 0.289540 K\n0.116417 0.925072 0.210460 K\n0.116417 0.574928 0.710460 K\n0.883583 0.074928 0.789540 K\n0.121498 0.579127 0.048377 K\n0.878502 0.079127 0.451623 K\n0.878502 0.420873 0.951623 K\n0.121498 0.920873 0.548377 K\n0.871003 0.749298 0.630961 K\n0.128997 0.249298 0.869039 K\n0.128997 0.250702 0.369039 K\n0.871003 0.750702 0.130961 K\n0.372591 0.747379 0.617587 K\n0.627409 0.247379 0.882413 K\n0.627409 0.252621 0.382413 K\n0.372591 0.752621 0.117587 K\n0.288609 0.605726 0.337576 As\n0.711391 0.105726 0.162424 As\n0.711391 0.394274 0.662424 As\n0.288609 0.894274 0.837576 As\n0.042657 0.395597 0.590074 As\n0.957343 0.895597 0.909926 As\n0.957343 0.604403 0.409926 As\n0.042657 0.104403 0.090074 As\n0.543223 0.393890 0.164358 As\n0.456777 0.893890 0.335642 As\n0.456777 0.606110 0.835642 As\n0.543223 0.106110 0.664358 As\n0.784633 0.605458 0.918461 As\n0.215367 0.105458 0.581539 As\n0.215367 0.394542 0.081539 As\n0.784633 0.894542 0.418461 As\n0.121552 0.744962 0.375390 As\n0.878448 0.244962 0.124610 As\n0.878448 0.255038 0.624610 As\n0.121552 0.755038 0.875390 As\n0.623194 0.745052 0.873998 As\n0.376806 0.245052 0.626002 As\n0.376806 0.254948 0.126002 As\n0.623194 0.754948 0.373998 As\n0.296326 0.620454 0.204766 O\n0.703674 0.120454 0.295234 O\n0.703674 0.379546 0.795234 O\n0.296326 0.879546 0.704766 O\n0.048192 0.383459 0.456485 O\n0.951808 0.883459 0.043515 O\n0.951808 0.616541 0.543515 O\n0.048192 0.116541 0.956485 O\n0.542148 0.382228 0.298101 O\n0.457852 0.882228 0.201899 O\n0.457852 0.617772 0.701899 O\n0.542148 0.117772 0.798101 O\n0.786682 0.621128 0.051141 O\n0.213318 0.121128 0.448859 O\n0.213318 0.378872 0.948859 O\n0.786682 0.878872 0.551141 O\n0.422501 0.561851 0.396223 O\n0.577499 0.061851 0.103777 O\n0.577499 0.438149 0.603777 O\n0.422501 0.938149 0.896223 O\n0.176570 0.438942 0.649803 O\n0.823430 0.938942 0.850197 O\n0.823430 0.561058 0.350197 O\n0.176570 0.061058 0.149803 O\n0.680407 0.437799 0.111620 O\n0.319593 0.937799 0.388380 O\n0.319593 0.562201 0.888380 O\n0.680407 0.062201 0.611620 O\n0.921131 0.559634 0.868648 O\n0.078869 0.059634 0.631352 O\n0.078869 0.440366 0.131352 O\n0.921131 0.940366 0.368648 O\n0.123161 0.561560 0.372037 O\n0.876839 0.061560 0.127963 O\n0.876839 0.438440 0.627963 O\n0.123161 0.938440 0.872037 O\n0.620104 0.562253 0.878354 O\n0.379896 0.062253 0.621646 O\n0.379896 0.437747 0.121646 O\n0.620104 0.937747 0.378354 O\n0.267171 0.685370 0.409003 O\n0.732829 0.185370 0.090997 O\n0.732829 0.314630 0.590997 O\n0.267171 0.814630 0.909003 O\n0.023335 0.314888 0.658838 O\n0.976665 0.814888 0.841162 O\n0.976665 0.685112 0.341162 O\n0.023335 0.185112 0.158838 O\n0.524558 0.313668 0.094371 O\n0.475442 0.813668 0.405629 O\n0.475442 0.686332 0.905629 O\n0.524558 0.186332 0.594371 O\n0.768048 0.684388 0.844001 O\n0.231952 0.184388 0.655999 O\n0.231952 0.315612 0.155999 O\n0.768048 0.815612 0.344001 O\n0.147403 0.786322 0.259482 O\n0.852597 0.286322 0.240518 O\n0.852597 0.213678 0.740518 O\n0.147403 0.713678 0.759482 O\n0.094844 0.785091 0.492266 O\n0.905156 0.285091 0.007734 O\n0.905156 0.214909 0.507734 O\n0.094844 0.714909 0.992266 O\n0.598559 0.784863 0.756497 O\n0.401441 0.284863 0.743503 O\n0.401441 0.215137 0.243503 O\n0.598559 0.715137 0.256497 O\n0.648974 0.786425 0.989999 O\n0.351026 0.286425 0.510001 O\n0.351026 0.213575 0.010001 O\n0.648974 0.713575 0.489999 O\n",
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"volume": 2249.2820778793703,
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{
"id": "mp-755329",
"created_at": "2022-09-04T14:39:06.134729Z",
"structure_string": "Li12 Fe4 O8 F8\n1.0\n5.114130 0.000000 0.056360\n-1.699877 5.936895 4.818304\n-1.699876 -5.936894 4.818304\nLi Fe O F\n12 4 8 8\ndirect\n0.249998 0.308516 0.191485 Li\n0.250004 0.808515 0.691484 Li\n0.749997 0.691485 0.808516 Li\n0.750003 0.191484 0.308516 Li\n0.250001 0.569940 0.930059 Li\n0.250000 0.069941 0.430060 Li\n0.750001 0.430058 0.069940 Li\n0.750000 0.930059 0.569942 Li\n0.250000 0.186636 0.813363 Li\n0.250000 0.686634 0.313365 Li\n0.750000 0.313364 0.686635 Li\n0.750000 0.813366 0.186634 Li\n0.250001 0.951358 0.048642 Fe\n0.749998 0.548642 0.451361 Fe\n0.249994 0.451356 0.548644 Fe\n0.749998 0.048648 0.951353 Fe\n0.007100 0.554660 0.677769 O\n0.007093 0.054665 0.177765 O\n0.492908 0.822234 0.945334 O\n0.492899 0.322232 0.445340 O\n0.507101 0.177769 0.054660 O\n0.507093 0.677767 0.554666 O\n0.992906 0.445335 0.322233 O\n0.992900 0.945340 0.822231 O\n0.009073 0.688193 0.064690 F\n0.009083 0.188201 0.564692 F\n0.509073 0.564690 0.188194 F\n0.509083 0.064692 0.688202 F\n0.490918 0.435308 0.811798 F\n0.490928 0.935309 0.311807 F\n0.990918 0.311798 0.935307 F\n0.990928 0.811806 0.435310 F\n",
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"formula_full": "Li12 Fe4 O8 F8",
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{
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"created_at": "2022-09-04T14:39:06.140373Z",
"structure_string": "Li1 Tb4 Al2 Fe2 O12\n1.0\n5.429831 -0.265557 0.389764\n-0.267521 5.640043 -0.393030\n0.486403 -0.488192 8.404957\nLi Tb Al Fe O\n1 4 2 2 12\ndirect\n0.785108 0.487643 0.337254 Li\n0.428696 0.611085 0.169532 Tb\n0.950922 0.064265 0.218480 Tb\n0.496539 0.441399 0.739186 Tb\n0.042407 0.924601 0.778629 Tb\n0.070557 0.412623 0.534695 Al\n0.501545 0.032401 0.990099 Al\n0.976609 0.494314 0.963664 Fe\n0.532704 0.965619 0.530894 Fe\n0.335268 0.982323 0.196073 O\n0.121389 0.445590 0.319834 O\n0.636214 0.037493 0.761079 O\n0.898675 0.532706 0.728521 O\n0.772077 0.841739 0.009981 O\n0.754904 0.253249 0.479549 O\n0.235306 0.174792 0.591246 O\n0.295441 0.713056 0.928349 O\n0.246230 0.224913 0.949998 O\n0.313081 0.676386 0.588481 O\n0.700882 0.785496 0.347171 O\n0.705448 0.314974 0.087287 O\n",
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{
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"created_at": "2022-09-04T14:39:06.142944Z",
"structure_string": "Sr2 La14 Zn3 Cu5 O32\n1.0\n5.401872 0.000000 0.000000\n0.000000 5.561783 0.000000\n0.000000 0.076726 25.941352\nSr La Zn Cu O\n2 14 3 5 32\ndirect\n0.000000 0.504871 0.318781 Sr\n0.000000 0.995778 0.072155 Sr\n0.000000 0.513242 0.820304 La\n0.000000 0.016617 0.932376 La\n0.500000 0.514988 0.569374 La\n0.500000 0.014220 0.679834 La\n0.500000 0.986673 0.820362 La\n0.500000 0.485203 0.931160 La\n0.000000 0.022657 0.426169 La\n0.000000 0.982558 0.569240 La\n0.000000 0.486430 0.680721 La\n0.500000 0.518938 0.070825 La\n0.500000 0.014068 0.180032 La\n0.500000 0.979456 0.317834 La\n0.500000 0.490109 0.428218 La\n0.000000 0.484030 0.180833 La\n0.000000 0.999129 0.751029 Zn\n0.500000 0.002483 0.496586 Zn\n0.500000 0.500951 0.751421 Zn\n0.000000 0.998820 0.249375 Cu\n0.000000 0.498458 0.498759 Cu\n0.500000 0.000558 0.002245 Cu\n0.500000 0.498448 0.250493 Cu\n0.000000 0.503368 0.002243 Cu\n0.251236 0.748112 0.993194 O\n0.000000 0.941273 0.840991 O\n0.000000 0.440998 0.906141 O\n0.748544 0.751423 0.742240 O\n0.749508 0.249440 0.757244 O\n0.748764 0.748112 0.993194 O\n0.500000 0.942971 0.591090 O\n0.500000 0.438641 0.658601 O\n0.500000 0.557510 0.840087 O\n0.500000 0.053767 0.907605 O\n0.245704 0.744036 0.494975 O\n0.246258 0.255645 0.507944 O\n0.251456 0.751423 0.742240 O\n0.250492 0.249440 0.757244 O\n0.000000 0.969832 0.338967 O\n0.000000 0.430387 0.410756 O\n0.000000 0.567280 0.594895 O\n0.000000 0.060086 0.658541 O\n0.742248 0.748301 0.244180 O\n0.740784 0.248071 0.253143 O\n0.754296 0.744036 0.494975 O\n0.753742 0.255645 0.507944 O\n0.500000 0.944953 0.090877 O\n0.500000 0.447053 0.156998 O\n0.500000 0.566196 0.344009 O\n0.500000 0.051417 0.410960 O\n0.252908 0.255951 0.002185 O\n0.257752 0.748301 0.244180 O\n0.259216 0.248071 0.253143 O\n0.000000 0.529317 0.092716 O\n0.000000 0.046289 0.166115 O\n0.747092 0.255951 0.002185 O\n",
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"formula_full": "Sr2 La14 Zn3 Cu5 O32",
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{
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"structure_string": "Rb2 Au2 F8\n1.0\n-3.203340 3.203340 5.998567\n3.203340 -3.203340 5.998567\n3.203340 3.203340 -5.998567\nRb Au F\n2 2 8\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.460507 0.960507 0.190787 F\n0.230279 0.730279 0.190787 F\n0.539493 0.039493 0.809213 F\n0.039493 0.230279 0.500000 F\n0.769721 0.269721 0.809213 F\n0.269721 0.460507 0.500000 F\n0.960507 0.769721 0.500000 F\n0.730279 0.539493 0.500000 F\n",
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