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{
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"formula_full": "Ba10 Pr1 Y4 Cu20 O40",
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{
"id": "mp-1113676",
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"structure_string": "Rb2 Na1 Mn1 F6\n1.0\n6.082242 0.000000 0.000000\n3.041121 5.267376 0.000000\n3.041121 1.755792 4.966130\nRb Na Mn F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.228593 0.771407 0.228593 F\n0.771407 0.771407 0.228593 F\n0.771407 0.228593 0.771407 F\n0.771407 0.228593 0.228593 F\n0.228593 0.771407 0.771407 F\n0.228593 0.228593 0.771407 F\n",
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"formula_full": "Rb2 Na1 Mn1 F6",
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{
"id": "mp-1223128",
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"structure_string": "La1 Ti6 Bi7 O24\n1.0\n5.473169 0.000000 0.000000\n-0.064458 5.520899 0.000000\n-0.012595 -2.753408 16.691144\nLa Ti Bi O\n1 6 7 24\ndirect\n0.484566 0.855816 0.627307 La\n0.477247 0.305699 0.502805 Ti\n0.978043 0.803007 0.499685 Ti\n0.486785 0.442600 0.756161 Ti\n0.986724 0.676835 0.242814 Ti\n0.492668 0.177553 0.243877 Ti\n0.988269 0.927718 0.756226 Ti\n0.028073 0.036945 0.077663 Bi\n0.524901 0.960499 0.921737 Bi\n0.976384 0.459352 0.923257 Bi\n0.480952 0.541279 0.074381 Bi\n0.985431 0.327970 0.636081 Bi\n0.490505 0.685456 0.367812 Bi\n0.996259 0.190005 0.364982 Bi\n0.545170 0.498306 0.861001 O\n0.038295 0.639631 0.138704 O\n0.739305 0.272763 0.002031 O\n0.240302 0.270056 0.997538 O\n0.229875 0.586866 0.486147 O\n0.709571 0.084886 0.524221 O\n0.204282 0.439477 0.276708 O\n0.711620 0.166091 0.720327 O\n0.407149 0.396136 0.616333 O\n0.904891 0.792296 0.383526 O\n0.431019 0.128085 0.139483 O\n0.926721 0.003042 0.861131 O\n0.752871 0.665118 0.721768 O\n0.254396 0.942345 0.280092 O\n0.264524 0.726834 0.749741 O\n0.777305 0.993197 0.251980 O\n0.538383 0.290216 0.383384 O\n0.041968 0.908599 0.616504 O\n0.686233 0.494403 0.253308 O\n0.200961 0.224639 0.743682 O\n0.253049 0.768212 0.998342 O\n0.752261 0.769683 0.000947 O\n0.714068 0.596197 0.516098 O\n0.206373 0.086988 0.482214 O\n",
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"volume": 504.35318132592664,
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"formula_full": "La1 Ti6 Bi7 O24",
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"energy": -301.18615615,
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{
"id": "mp-1235065",
"created_at": "2022-09-04T14:42:16.311199Z",
"structure_string": "Rb3 Li1 Tb1 V2 O8\n1.0\n-3.135943 -5.370578 0.085941\n-3.057463 5.321901 0.221200\n0.400322 -0.103997 -7.947483\nRb Li Tb V O\n3 1 1 2 8\ndirect\n0.658297 0.318679 0.311595 Rb\n0.352844 0.716557 0.674494 Rb\n0.903857 0.913880 0.029358 Rb\n0.351571 0.354338 0.911608 Li\n0.009128 0.009303 0.511612 Tb\n0.700418 0.371039 0.745257 V\n0.314103 0.638627 0.247596 V\n0.665607 0.385737 0.963997 O\n0.308296 0.606599 0.029403 O\n0.861474 0.681038 0.661453 O\n0.162304 0.338151 0.321214 O\n0.834664 0.186953 0.659210 O\n0.171542 0.811357 0.319878 O\n0.360706 0.231464 0.676395 O\n0.626437 0.800862 0.328598 O\n",
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"formula_full": "Rb3 Li1 Tb1 V2 O8",
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{
"id": "mp-1100585",
"created_at": "2022-09-04T14:42:16.404382Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.900827 0.000000 0.000000\n0.000000 9.825353 0.000000\n0.000000 1.664098 10.275288\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.002091 0.269649 Li\n0.500000 0.006856 0.725576 Li\n0.000000 0.748461 0.380621 Li\n0.000000 0.746698 0.863453 Li\n0.500000 0.498052 0.504682 Li\n0.500000 0.495554 0.998200 Li\n0.000000 0.249796 0.133992 Li\n0.000000 0.253535 0.623648 Li\n0.000000 0.000110 0.499244 Li\n0.000000 0.001774 0.001586 Mn\n0.500000 0.743432 0.130347 Mn\n0.500000 0.767956 0.607635 Co\n0.000000 0.482877 0.258066 Co\n0.000000 0.507378 0.747342 Co\n0.500000 0.230013 0.391809 Co\n0.500000 0.253997 0.868891 Co\n0.500000 0.110692 0.058256 O\n0.500000 0.137095 0.555513 O\n0.000000 0.855130 0.184710 O\n0.000000 0.864534 0.684881 O\n0.500000 0.624088 0.293368 O\n0.500000 0.615231 0.811732 O\n0.000000 0.363860 0.923513 O\n0.000000 0.379535 0.424561 O\n0.500000 0.866555 0.445946 O\n0.500000 0.876042 0.959150 O\n0.000000 0.635927 0.572588 O\n0.000000 0.637530 0.070642 O\n0.500000 0.389868 0.690410 O\n0.500000 0.383383 0.184175 O\n0.000000 0.133397 0.315591 O\n0.000000 0.138555 0.820223 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Y1 Ni1 O3\n1.0\n3.756882 0.000000 0.000000\n0.000000 3.756882 0.000000\n0.000000 0.000000 3.756882\nY Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "K2 Na2 Ca4 Si16 O48\n1.0\n24.019519 0.000000 0.000000\n0.000000 6.836784 0.000000\n0.000000 0.007011 7.088658\nK Na Ca Si O\n2 2 4 16 48\ndirect\n0.756645 0.917931 0.250999 K\n0.256645 0.082069 0.749001 K\n0.502888 0.471393 0.489840 Na\n0.002888 0.528607 0.510160 Na\n0.495638 0.947314 0.247652 Ca\n0.995638 0.052686 0.752348 Ca\n0.512968 0.040333 0.758546 Ca\n0.012968 0.959667 0.241454 Ca\n0.896016 0.435302 0.753726 Si\n0.396016 0.564698 0.246274 Si\n0.891495 0.788722 0.474413 Si\n0.891034 0.790101 0.029930 Si\n0.391495 0.211278 0.525587 Si\n0.391034 0.209899 0.970070 Si\n0.688589 0.044608 0.752816 Si\n0.188589 0.955392 0.247184 Si\n0.614154 0.431236 0.752431 Si\n0.114154 0.568764 0.247569 Si\n0.621114 0.783065 0.473362 Si\n0.620500 0.787356 0.030855 Si\n0.121114 0.216935 0.526638 Si\n0.120500 0.212644 0.969145 Si\n0.822797 0.047684 0.753370 Si\n0.322797 0.952316 0.246630 Si\n0.640575 0.763019 0.252134 O\n0.140575 0.236981 0.747866 O\n0.629729 0.567373 0.566879 O\n0.622267 0.567954 0.940566 O\n0.129729 0.432627 0.433121 O\n0.122267 0.432046 0.059434 O\n0.669183 0.932509 0.559719 O\n0.673520 0.914402 0.939679 O\n0.169183 0.067491 0.440281 O\n0.173520 0.085598 0.060321 O\n0.872287 0.771962 0.252728 O\n0.372287 0.228038 0.747272 O\n0.558650 0.867768 0.499345 O\n0.562347 0.899726 0.009169 O\n0.058650 0.132232 0.500655 O\n0.062347 0.100274 0.990831 O\n0.755581 0.064299 0.742396 O\n0.255581 0.935701 0.257604 O\n0.979935 0.292147 0.290287 O\n0.479935 0.707853 0.709713 O\n0.662776 0.261885 0.765069 O\n0.162776 0.738115 0.234931 O\n0.553917 0.336251 0.728521 O\n0.053917 0.663749 0.271479 O\n0.802924 0.347704 0.296880 O\n0.302924 0.652296 0.703120 O\n0.634206 0.259547 0.255606 O\n0.134206 0.740453 0.744394 O\n0.583224 0.270112 0.266008 O\n0.083224 0.729888 0.733992 O\n0.957069 0.345194 0.732982 O\n0.457069 0.654806 0.267018 O\n0.954382 0.864631 0.503863 O\n0.949633 0.896545 0.998319 O\n0.454382 0.135369 0.496137 O\n0.449633 0.103455 0.001681 O\n0.843090 0.937241 0.560911 O\n0.837955 0.919693 0.941302 O\n0.343090 0.062759 0.439089 O\n0.337955 0.080307 0.058698 O\n0.881771 0.572502 0.567786 O\n0.886873 0.569467 0.943064 O\n0.381771 0.427498 0.432214 O\n0.386873 0.430533 0.056936 O\n0.847143 0.266993 0.763606 O\n0.347143 0.733007 0.236394 O\n0.773422 0.468704 0.377663 O\n0.273422 0.531296 0.622337 O\n",
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"formula_full": "K2 Na2 Ca4 Si16 O48",
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{
"id": "mp-1021280",
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"structure_string": "Li2 Mg12 Bi2\n1.0\n5.117583 0.000000 0.000000\n0.000000 6.489678 0.000000\n0.000000 0.000000 11.175830\nLi Mg Bi\n2 12 2\ndirect\n0.000000 0.000000 0.836285 Li\n0.000000 0.500000 0.336285 Li\n0.000000 0.740918 0.578772 Mg\n0.000000 0.259082 0.578772 Mg\n0.000000 0.000000 0.334901 Mg\n0.500000 0.749406 0.416162 Mg\n0.500000 0.250594 0.416162 Mg\n0.500000 0.000000 0.167380 Mg\n0.000000 0.240918 0.078772 Mg\n0.000000 0.759082 0.078772 Mg\n0.000000 0.500000 0.834901 Mg\n0.500000 0.249406 0.916162 Mg\n0.500000 0.750594 0.916162 Mg\n0.500000 0.500000 0.667380 Mg\n0.500000 0.000000 0.671566 Bi\n0.500000 0.500000 0.171566 Bi\n",
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