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{
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{
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"created_at": "2022-09-04T14:44:02.647097Z",
"structure_string": "Na12 Al6 Fe6 Te8 O48\n1.0\n-6.260360 6.260360 6.260360\n6.260360 -6.260360 6.260360\n6.260360 6.260360 -6.260360\nNa Al Fe Te O\n12 6 6 8 48\ndirect\n0.125028 0.375028 0.750000 Na\n0.374972 0.124972 0.250000 Na\n0.250000 0.374972 0.124972 Na\n0.750000 0.125028 0.375028 Na\n0.124972 0.250000 0.374972 Na\n0.375028 0.750000 0.125028 Na\n0.875028 0.625028 0.250000 Na\n0.624972 0.874972 0.750000 Na\n0.750000 0.624972 0.874972 Na\n0.250000 0.875028 0.625028 Na\n0.874972 0.750000 0.624972 Na\n0.625028 0.250000 0.875028 Na\n0.125000 0.875000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.750000 0.375000 0.625000 Al\n0.250000 0.125000 0.875000 Al\n0.625000 0.750000 0.375000 Al\n0.875000 0.250000 0.125000 Al\n0.875000 0.125000 0.750000 Fe\n0.625000 0.375000 0.250000 Fe\n0.250000 0.625000 0.375000 Fe\n0.750000 0.875000 0.125000 Fe\n0.375000 0.250000 0.625000 Fe\n0.125000 0.750000 0.875000 Fe\n0.498435 0.500000 0.000000 Te\n0.000000 0.498435 0.500000 Te\n0.001565 0.001565 0.001565 Te\n0.500000 0.000000 0.498435 Te\n0.998435 0.500000 0.000000 Te\n0.501565 0.501565 0.501565 Te\n0.000000 0.998435 0.500000 Te\n0.500000 0.000000 0.998435 Te\n0.385638 0.575801 0.894949 O\n0.180852 0.490689 0.605051 O\n0.114362 0.009311 0.190163 O\n0.319148 0.924199 0.309837 O\n0.190163 0.114362 0.009311 O\n0.309837 0.319148 0.924199 O\n0.894949 0.385638 0.575801 O\n0.605051 0.180852 0.490689 O\n0.924199 0.309837 0.319148 O\n0.009311 0.190163 0.114362 O\n0.490689 0.605051 0.180852 O\n0.575801 0.894949 0.385638 O\n0.614512 0.425386 0.098522 O\n0.826864 0.515990 0.401478 O\n0.885488 0.984010 0.810873 O\n0.673136 0.074614 0.689127 O\n0.810873 0.885488 0.984010 O\n0.689127 0.673136 0.074614 O\n0.098522 0.614512 0.425386 O\n0.401478 0.826864 0.515990 O\n0.074614 0.689127 0.673136 O\n0.984010 0.810873 0.885488 O\n0.515990 0.401478 0.826864 O\n0.425386 0.098522 0.614512 O\n0.809837 0.424199 0.819148 O\n0.690163 0.509311 0.614362 O\n0.105051 0.990689 0.680852 O\n0.394949 0.075801 0.885638 O\n0.075801 0.885638 0.394949 O\n0.990689 0.680852 0.105051 O\n0.509311 0.614362 0.690163 O\n0.424199 0.819148 0.809837 O\n0.614362 0.690163 0.509311 O\n0.819148 0.809837 0.424199 O\n0.885638 0.394949 0.075801 O\n0.680852 0.105051 0.990689 O\n0.189127 0.574614 0.173136 O\n0.310873 0.484010 0.385488 O\n0.901478 0.015990 0.326864 O\n0.598522 0.925386 0.114512 O\n0.925386 0.114512 0.598522 O\n0.015990 0.326864 0.901478 O\n0.484010 0.385488 0.310873 O\n0.574614 0.173136 0.189127 O\n0.385488 0.310873 0.484010 O\n0.173136 0.189127 0.574614 O\n0.114512 0.598522 0.925386 O\n0.326864 0.901478 0.015990 O\n",
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{
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"structure_string": "Ca8 V4 Fe16 Bi4 O48\n1.0\n10.925543 0.000000 0.000000\n-3.622897 10.324393 0.000000\n-3.631469 -5.174573 8.951746\nCa V Fe Bi O\n8 4 16 4 48\ndirect\n0.375230 0.748723 0.875762 Ca\n0.247600 0.871523 0.374060 Ca\n0.628249 0.877105 0.247396 Ca\n0.877450 0.751791 0.372644 Ca\n0.122550 0.248209 0.627356 Ca\n0.371751 0.122895 0.752604 Ca\n0.752400 0.128477 0.625940 Ca\n0.624770 0.251277 0.124238 Ca\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.127031 0.880448 0.747807 Fe\n0.750964 0.878295 0.871951 Fe\n0.623840 0.749174 0.624994 Fe\n0.251982 0.628134 0.623043 Fe\n0.125223 0.748347 0.128615 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.378447 0.628559 0.249199 Fe\n0.621553 0.371441 0.750801 Fe\n0.000000 0.500000 0.500000 Fe\n0.376160 0.250826 0.375006 Fe\n0.748018 0.371866 0.376957 Fe\n0.874777 0.251653 0.871385 Fe\n0.000000 0.500000 0.000000 Fe\n0.249036 0.121705 0.128049 Fe\n0.872969 0.119552 0.252193 Fe\n0.240607 0.369126 0.881834 Bi\n0.874935 0.612835 0.752461 Bi\n0.125065 0.387165 0.247539 Bi\n0.759393 0.630874 0.118166 Bi\n0.329121 0.904917 0.984120 O\n0.078617 0.890570 0.593523 O\n0.095449 0.982210 0.330178 O\n0.329102 0.922927 0.689139 O\n0.594946 0.924110 0.885612 O\n0.577824 0.905866 0.610192 O\n0.406340 0.830007 0.480540 O\n0.200443 0.580459 0.821048 O\n0.081344 0.703886 0.323506 O\n0.096408 0.623569 0.582840 O\n0.874985 0.971911 0.205147 O\n0.702148 0.679204 0.920318 O\n0.425998 0.830219 0.189378 O\n0.827356 0.811577 0.576444 O\n0.477622 0.599707 0.820962 O\n0.610716 0.686302 0.485275 O\n0.976280 0.681367 0.905424 O\n0.796804 0.879401 0.022766 O\n0.123171 0.592801 0.084667 O\n0.311534 0.484668 0.609174 O\n0.180823 0.477748 0.401396 O\n0.519543 0.615110 0.310766 O\n0.973434 0.793418 0.120666 O\n0.622569 0.419493 0.900721 O\n0.377431 0.580507 0.099279 O\n0.026566 0.206582 0.879334 O\n0.480457 0.384890 0.689234 O\n0.819177 0.522252 0.598604 O\n0.688466 0.515332 0.390826 O\n0.876829 0.407199 0.915333 O\n0.203196 0.120599 0.977234 O\n0.023720 0.318633 0.094576 O\n0.389284 0.313698 0.514725 O\n0.522378 0.400293 0.179038 O\n0.172644 0.188423 0.423556 O\n0.574002 0.169781 0.810622 O\n0.297852 0.320796 0.079682 O\n0.125015 0.028089 0.794853 O\n0.903592 0.376431 0.417160 O\n0.918656 0.296114 0.676494 O\n0.799557 0.419541 0.178952 O\n0.593660 0.169993 0.519460 O\n0.422176 0.094134 0.389808 O\n0.405054 0.075890 0.114388 O\n0.670898 0.077073 0.310861 O\n0.904551 0.017790 0.669822 O\n0.921383 0.109430 0.406477 O\n0.670879 0.095083 0.015880 O\n",
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{
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"structure_string": "Li8 Cr8 Si16 O48\n1.0\n5.281627 0.000000 0.000000\n0.000000 8.749295 0.000000\n0.000000 0.000000 18.170715\nLi Cr Si O\n8 8 16 48\ndirect\n0.127523 0.509364 0.123207 Li\n0.627523 0.990636 0.123207 Li\n0.627523 0.490636 0.376793 Li\n0.127523 0.009364 0.376793 Li\n0.872477 0.990636 0.623207 Li\n0.372477 0.509364 0.623207 Li\n0.872477 0.490636 0.876793 Li\n0.372477 0.009364 0.876793 Li\n0.125163 0.154724 0.124805 Cr\n0.625163 0.345276 0.124805 Cr\n0.625163 0.845276 0.375195 Cr\n0.125163 0.654724 0.375195 Cr\n0.874837 0.345276 0.624805 Cr\n0.374837 0.154724 0.624805 Cr\n0.874837 0.845276 0.875195 Cr\n0.374837 0.654724 0.875195 Cr\n0.705281 0.662327 0.026654 Si\n0.205281 0.837673 0.026654 Si\n0.949960 0.840938 0.225712 Si\n0.449960 0.659062 0.225712 Si\n0.949960 0.340938 0.274288 Si\n0.449960 0.159062 0.274288 Si\n0.205281 0.337673 0.473346 Si\n0.705281 0.162327 0.473346 Si\n0.294719 0.837673 0.526654 Si\n0.794719 0.662327 0.526654 Si\n0.550040 0.840938 0.725712 Si\n0.050040 0.659062 0.725712 Si\n0.550040 0.340938 0.774288 Si\n0.050040 0.159062 0.774288 Si\n0.294719 0.337673 0.973346 Si\n0.794719 0.162327 0.973346 Si\n0.914929 0.792499 0.052741 O\n0.414929 0.707501 0.052741 O\n0.297806 0.332408 0.065077 O\n0.797806 0.167592 0.065077 O\n0.290436 0.996235 0.064406 O\n0.790436 0.503765 0.064406 O\n0.952603 0.333864 0.182802 O\n0.452603 0.166136 0.182802 O\n0.456289 0.490508 0.190697 O\n0.956289 0.009492 0.190697 O\n0.178641 0.730027 0.196137 O\n0.678641 0.769973 0.196137 O\n0.678641 0.269973 0.303863 O\n0.178641 0.230027 0.303863 O\n0.456289 0.990508 0.309303 O\n0.956289 0.509492 0.309303 O\n0.952603 0.833864 0.317198 O\n0.452603 0.666136 0.317198 O\n0.290436 0.496235 0.435594 O\n0.790436 0.003765 0.435594 O\n0.297806 0.832408 0.434923 O\n0.797806 0.667592 0.434923 O\n0.914929 0.292499 0.447259 O\n0.414929 0.207501 0.447259 O\n0.585071 0.792499 0.552741 O\n0.085071 0.707501 0.552741 O\n0.202194 0.332408 0.565077 O\n0.702194 0.167592 0.565077 O\n0.209564 0.996235 0.564406 O\n0.709564 0.503765 0.564406 O\n0.547397 0.333864 0.682802 O\n0.047397 0.166136 0.682802 O\n0.043711 0.490508 0.690697 O\n0.543711 0.009492 0.690697 O\n0.821359 0.769973 0.696137 O\n0.321359 0.730027 0.696137 O\n0.821359 0.269973 0.803863 O\n0.321359 0.230027 0.803863 O\n0.043711 0.990508 0.809303 O\n0.543711 0.509492 0.809303 O\n0.547397 0.833864 0.817198 O\n0.047397 0.666136 0.817198 O\n0.209564 0.496235 0.935594 O\n0.709564 0.003765 0.935594 O\n0.202194 0.832408 0.934923 O\n0.702194 0.667592 0.934923 O\n0.585071 0.292499 0.947259 O\n0.085071 0.207501 0.947259 O\n",
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{
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{
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"structure_string": "Cr8 Fe24 O48\n1.0\n10.439917 0.023435 -0.215887\n0.018306 10.418416 -0.264714\n-0.260362 -0.256246 9.380071\nCr Fe O\n8 24 48\ndirect\n0.580898 0.340821 0.695802 Cr\n0.476414 0.493558 0.387723 Cr\n0.613638 0.730386 0.880662 Cr\n0.960534 0.698321 0.455498 Cr\n0.787745 0.442767 0.423629 Cr\n0.510750 0.379580 0.099797 Cr\n0.927903 0.025712 0.552325 Cr\n0.048639 0.542187 0.702673 Cr\n0.195944 0.894304 0.369874 Fe\n0.207153 0.348672 0.071291 Fe\n0.548130 0.046790 0.051203 Fe\n0.384110 0.158721 0.284151 Fe\n0.802330 0.991218 0.065065 Fe\n0.389713 0.073461 0.608557 Fe\n0.436223 0.812857 0.544387 Fe\n0.655499 0.012060 0.724067 Fe\n0.487385 0.794246 0.142389 Fe\n0.078978 0.764173 0.008361 Fe\n0.707491 0.614703 0.220019 Fe\n0.259724 0.308659 0.616438 Fe\n0.040890 0.172688 0.285613 Fe\n0.707307 0.678797 0.599487 Fe\n0.385420 0.538846 0.838092 Fe\n0.958487 0.254568 0.842662 Fe\n0.815327 0.278035 0.152064 Fe\n0.192808 0.061495 0.871298 Fe\n0.752635 0.484650 0.895797 Fe\n0.078641 0.446623 0.357657 Fe\n0.919012 0.831050 0.792403 Fe\n0.279284 0.632156 0.247185 Fe\n0.232171 0.759775 0.712489 Fe\n0.640273 0.954697 0.375526 Fe\n0.954169 0.406444 0.746831 O\n0.614787 0.877335 0.008194 O\n0.457879 0.199380 0.087871 O\n0.941384 0.853026 0.587597 O\n0.406225 0.962363 0.134518 O\n0.549881 0.172229 0.686969 O\n0.929273 0.314364 0.353786 O\n0.365131 0.785976 0.337017 O\n0.280568 0.167777 0.739523 O\n0.713147 0.081137 0.912945 O\n0.349971 0.418765 0.989326 O\n0.588710 0.393146 0.900209 O\n0.316935 0.538837 0.417067 O\n0.482405 0.039074 0.415978 O\n0.266518 0.904911 0.574506 O\n0.756344 0.036260 0.536366 O\n0.928921 0.124622 0.128811 O\n0.203952 0.219946 0.216348 O\n0.738727 0.822367 0.761927 O\n0.614815 0.816509 0.515407 O\n0.109683 0.672191 0.573181 O\n0.204725 0.584074 0.814337 O\n0.656620 0.789730 0.254427 O\n0.472204 0.571633 0.207841 O\n0.650308 0.575205 0.744315 O\n0.850411 0.347138 0.966619 O\n0.399555 0.688975 0.681953 O\n0.694091 0.349448 0.564504 O\n0.688778 0.055016 0.213149 O\n0.461955 0.339559 0.300413 O\n0.149062 0.499163 0.177692 O\n0.980314 0.667372 0.847260 O\n0.036249 0.021635 0.400017 O\n0.115565 0.234402 0.940279 O\n0.643819 0.567575 0.431718 O\n0.874592 0.583462 0.576400 O\n0.414950 0.411239 0.670486 O\n0.694246 0.414443 0.214240 O\n0.297256 0.186415 0.467746 O\n0.974016 0.092459 0.725182 O\n0.164936 0.868865 0.871143 O\n0.725368 0.632005 0.016980 O\n0.487828 0.941318 0.717776 O\n0.455107 0.679640 0.966371 O\n0.124531 0.416112 0.560547 O\n0.884158 0.584006 0.309586 O\n0.932345 0.877607 0.995499 O\n0.139271 0.767034 0.201354 O\n",
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{
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"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n9.067590 0.011485 -0.015653\n3.979682 -7.494164 0.036304\n4.016069 2.200390 -13.912195\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.150162 0.255235 0.331821 Li\n0.148959 0.796002 0.131382 Li\n0.151371 0.294232 0.631152 Li\n0.149957 0.724829 0.461016 Li\n0.150135 0.225963 0.961242 Li\n0.149409 0.755016 0.831992 Li\n0.849838 0.244765 0.168179 Li\n0.850043 0.775171 0.038984 Li\n0.849865 0.274037 0.538758 Li\n0.851041 0.703998 0.368618 Li\n0.848629 0.205768 0.868848 Li\n0.850591 0.744984 0.668008 Li\n0.560659 0.223302 0.072714 Mn\n0.439341 0.276698 0.427286 Mn\n0.046298 0.976021 0.326107 V\n0.045151 0.478020 0.825743 V\n0.565776 0.718163 0.571568 V\n0.434224 0.781837 0.928432 V\n0.953702 0.523979 0.173893 V\n0.954849 0.021980 0.674257 V\n0.250921 0.084832 0.125323 P\n0.251222 0.018654 0.479196 P\n0.249172 0.521972 0.269202 P\n0.250219 0.020536 0.770102 P\n0.252346 0.583725 0.623900 P\n0.250141 0.521303 0.977971 P\n0.748778 0.481346 0.020804 P\n0.749079 0.415168 0.374677 P\n0.750828 0.978028 0.230799 P\n0.749781 0.479464 0.729898 P\n0.749859 0.978697 0.522029 P\n0.747654 0.916275 0.876100 P\n0.098629 0.259220 0.104548 O\n0.191234 0.067299 0.233234 O\n0.096564 0.616147 0.077499 O\n0.097320 0.115493 0.578136 O\n0.098910 0.477250 0.266717 O\n0.421733 0.090123 0.099224 O\n0.263551 0.176790 0.431727 O\n0.193755 0.719337 0.250974 O\n0.194566 0.218015 0.753170 O\n0.261351 0.503220 0.371437 O\n0.423798 0.390628 0.192982 O\n0.098236 0.757373 0.604458 O\n0.265073 0.926500 0.062144 O\n0.269764 0.423582 0.559774 O\n0.576202 0.109372 0.307018 O\n0.193932 0.565209 0.731329 O\n0.193260 0.922958 0.416842 O\n0.189766 0.426705 0.915865 O\n0.738649 0.996780 0.128563 O\n0.580210 0.614891 0.002915 O\n0.580794 0.113228 0.506803 O\n0.096910 0.978648 0.768821 O\n0.736449 0.323210 0.068273 O\n0.578267 0.409877 0.400776 O\n0.420823 0.593217 0.598674 O\n0.262463 0.679987 0.931459 O\n0.901090 0.022750 0.233283 O\n0.419790 0.885109 0.497085 O\n0.419206 0.386772 0.993197 O\n0.265510 0.998393 0.872594 O\n0.806740 0.577042 0.083158 O\n0.810234 0.073295 0.584135 O\n0.808766 0.432701 0.266766 O\n0.420459 0.890255 0.693593 O\n0.734927 0.573500 0.437856 O\n0.730236 0.076418 0.940226 O\n0.901371 0.240780 0.395452 O\n0.579541 0.609745 0.806407 O\n0.734490 0.501607 0.627406 O\n0.806245 0.780663 0.249026 O\n0.805434 0.281985 0.746830 O\n0.737537 0.820013 0.568541 O\n0.579177 0.906783 0.901326 O\n0.903090 0.521352 0.731179 O\n0.903436 0.883853 0.422501 O\n0.902680 0.384507 0.921864 O\n0.806068 0.934791 0.768671 O\n0.901764 0.742627 0.895542 O\n",
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],
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"formula_full": "Li12 Mn2 V6 P12 O48",
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{
"id": "mp-651332",
"created_at": "2022-09-04T14:44:04.248911Z",
"structure_string": "Se16 Br64\n1.0\n5.380782 -9.319788 0.000000\n5.380782 9.319788 0.000000\n0.000000 0.000000 31.501381\nSe Br\n16 64\ndirect\n0.958341 0.218227 0.913998 Se\n0.921660 0.559239 0.604981 Se\n0.259886 0.041659 0.913998 Se\n0.000000 0.000000 0.298717 Se\n0.559239 0.921660 0.104981 Se\n0.740114 0.781773 0.413998 Se\n0.218227 0.958341 0.413998 Se\n0.041659 0.259886 0.413998 Se\n0.637579 0.078340 0.604981 Se\n0.362421 0.440761 0.104981 Se\n0.000000 0.000000 0.798717 Se\n0.333333 0.666667 0.219421 Se\n0.666667 0.333333 0.719421 Se\n0.078340 0.637579 0.104981 Se\n0.440761 0.362421 0.604981 Se\n0.781773 0.740114 0.913998 Se\n0.437672 0.922372 0.560332 Br\n0.922372 0.437672 0.060332 Br\n0.484700 0.562328 0.560332 Br\n0.278411 0.861153 0.954178 Br\n0.856667 0.303230 0.658675 Br\n0.220457 0.188486 0.361329 Br\n0.991489 0.187117 0.259414 Br\n0.333333 0.666667 0.058799 Br\n0.582743 0.721589 0.954178 Br\n0.812883 0.804372 0.259414 Br\n0.008511 0.195628 0.759414 Br\n0.880744 0.495108 0.758531 Br\n0.917669 0.356368 0.861885 Br\n0.504892 0.385637 0.758531 Br\n0.811514 0.031971 0.361329 Br\n0.743444 0.924174 0.061980 Br\n0.082331 0.438698 0.361885 Br\n0.666667 0.333333 0.558799 Br\n0.899113 0.614461 0.154672 Br\n0.758496 0.167118 0.959532 Br\n0.591378 0.832882 0.459532 Br\n0.495108 0.880744 0.258531 Br\n0.515300 0.077628 0.060332 Br\n0.385637 0.504892 0.258531 Br\n0.721589 0.582743 0.454178 Br\n0.077628 0.515300 0.560332 Br\n0.643632 0.561302 0.861885 Br\n0.446563 0.143333 0.658675 Br\n0.000000 0.000000 0.461642 Br\n0.119256 0.614363 0.258531 Br\n0.100887 0.715348 0.654672 Br\n0.187117 0.991489 0.759414 Br\n0.000000 0.000000 0.961642 Br\n0.832882 0.591378 0.959532 Br\n0.356368 0.917669 0.361885 Br\n0.195628 0.008511 0.259414 Br\n0.417257 0.138847 0.454178 Br\n0.614461 0.899113 0.654672 Br\n0.303230 0.856667 0.158675 Br\n0.180730 0.256556 0.061980 Br\n0.241504 0.408622 0.459532 Br\n0.561302 0.643632 0.361885 Br\n0.284652 0.385539 0.654672 Br\n0.562328 0.484700 0.060332 Br\n0.256556 0.180730 0.561980 Br\n0.188486 0.220457 0.861329 Br\n0.438698 0.082331 0.861885 Br\n0.696770 0.553437 0.658675 Br\n0.614363 0.119256 0.758531 Br\n0.715348 0.100887 0.154672 Br\n0.143333 0.446563 0.158675 Br\n0.819270 0.075826 0.561980 Br\n0.553437 0.696770 0.158675 Br\n0.075826 0.819270 0.061980 Br\n0.385539 0.284652 0.154672 Br\n0.779543 0.968029 0.861329 Br\n0.968029 0.779543 0.361329 Br\n0.031971 0.811514 0.861329 Br\n0.167118 0.758496 0.459532 Br\n0.924174 0.743444 0.561980 Br\n0.138847 0.417257 0.954178 Br\n0.804372 0.812883 0.759414 Br\n0.861153 0.278411 0.454178 Br\n0.408622 0.241504 0.959532 Br\n",
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"elements": [
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"volume": 3159.4466014742425,
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"formula_full": "Se16 Br64",
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{
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{
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{
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"structure_string": "Rb8 Tb4 Ga4 Si16 O48\n1.0\n3.687489 13.625870 0.000000\n-3.687489 13.625870 0.000000\n0.000000 8.247404 12.598597\nRb Tb Ga Si O\n8 4 4 16 48\ndirect\n0.228443 0.702358 0.952168 Rb\n0.695569 0.687661 0.533773 Rb\n0.702358 0.228443 0.452168 Rb\n0.297642 0.771557 0.547832 Rb\n0.687661 0.695569 0.033773 Rb\n0.304431 0.312339 0.466227 Rb\n0.312339 0.304431 0.966227 Rb\n0.771557 0.297642 0.047832 Rb\n0.486072 0.051380 0.749947 Tb\n0.513928 0.948620 0.250053 Tb\n0.051380 0.486072 0.249947 Tb\n0.948620 0.513928 0.750053 Tb\n0.770023 0.369627 0.774080 Ga\n0.229977 0.630373 0.225920 Ga\n0.630373 0.229977 0.725920 Ga\n0.369627 0.770023 0.274080 Ga\n0.859408 0.803960 0.010082 Si\n0.140592 0.196040 0.989918 Si\n0.240081 0.520377 0.661158 Si\n0.479623 0.759919 0.838842 Si\n0.759919 0.479623 0.338842 Si\n0.166243 0.709003 0.422733 Si\n0.860528 0.813821 0.796068 Si\n0.813821 0.860528 0.296068 Si\n0.290997 0.833757 0.077267 Si\n0.833757 0.290997 0.577267 Si\n0.803960 0.859408 0.510082 Si\n0.520377 0.240081 0.161158 Si\n0.709003 0.166243 0.922733 Si\n0.186179 0.139472 0.703932 Si\n0.139472 0.186179 0.203932 Si\n0.196040 0.140592 0.489918 Si\n0.864415 0.939764 0.944005 O\n0.293357 0.570649 0.342256 O\n0.043894 0.729374 0.702172 O\n0.178527 0.832327 0.378981 O\n0.269563 0.083978 0.588213 O\n0.951929 0.330289 0.729485 O\n0.379999 0.967766 0.422779 O\n0.349781 0.075597 0.923783 O\n0.956106 0.270626 0.297828 O\n0.167673 0.821473 0.121019 O\n0.075597 0.349781 0.423783 O\n0.706643 0.429351 0.657744 O\n0.060236 0.135585 0.555995 O\n0.048071 0.669711 0.270515 O\n0.570649 0.293357 0.842256 O\n0.083978 0.269563 0.088213 O\n0.032234 0.620001 0.077221 O\n0.924403 0.650219 0.576217 O\n0.584051 0.561666 0.333874 O\n0.916022 0.730437 0.911787 O\n0.330289 0.951929 0.229485 O\n0.237582 0.387266 0.725532 O\n0.758157 0.796434 0.297156 O\n0.561666 0.584051 0.833874 O\n0.620001 0.032234 0.577221 O\n0.437727 0.745328 0.967501 O\n0.612734 0.762418 0.774468 O\n0.832327 0.178527 0.878981 O\n0.729374 0.043894 0.202172 O\n0.203566 0.241843 0.202844 O\n0.762418 0.612734 0.274468 O\n0.135585 0.060236 0.055995 O\n0.254672 0.562273 0.532499 O\n0.939764 0.864415 0.444005 O\n0.796434 0.758157 0.797156 O\n0.650219 0.924403 0.076217 O\n0.730437 0.916022 0.411787 O\n0.821473 0.167673 0.621019 O\n0.562273 0.254672 0.032499 O\n0.415949 0.438334 0.666126 O\n0.438334 0.415949 0.166126 O\n0.387266 0.237582 0.225532 O\n0.270626 0.956106 0.797828 O\n0.967766 0.379999 0.922779 O\n0.669711 0.048071 0.770515 O\n0.745328 0.437727 0.467502 O\n0.241843 0.203566 0.702844 O\n0.429351 0.706643 0.157744 O\n",
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"formula_full": "Rb8 Tb4 Ga4 Si16 O48",
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{
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"structure_string": "Ca16 Mn12 Cr4 O48\n1.0\n0.000001 0.000000 5.339183\n10.831520 0.000000 0.000001\n0.000000 15.152633 0.000000\nCa Mn Cr O\n16 12 4 48\ndirect\n0.991373 0.021171 0.125000 Ca\n0.991507 0.022301 0.625000 Ca\n0.991043 0.522979 0.125000 Ca\n0.991365 0.522198 0.625000 Ca\n0.008688 0.478313 0.375053 Ca\n0.008688 0.478313 0.874947 Ca\n0.008542 0.977634 0.375365 Ca\n0.008542 0.977634 0.874635 Ca\n0.491566 0.228368 0.375506 Ca\n0.491566 0.228368 0.874494 Ca\n0.491197 0.727318 0.374898 Ca\n0.491197 0.727318 0.875102 Ca\n0.508709 0.272423 0.125000 Ca\n0.508550 0.272118 0.625000 Ca\n0.508816 0.771199 0.125000 Ca\n0.508576 0.772361 0.625000 Ca\n0.500235 0.000095 0.500136 Mn\n0.500769 0.500064 0.000141 Mn\n0.500147 0.500044 0.499961 Mn\n0.999490 0.250136 0.500108 Mn\n0.000495 0.749900 0.999984 Mn\n0.000067 0.749957 0.499995 Mn\n0.999490 0.250136 0.749892 Mn\n0.000495 0.749900 0.250016 Mn\n0.000067 0.749957 0.750005 Mn\n0.500235 0.000095 0.749864 Mn\n0.500769 0.500064 0.249859 Mn\n0.500147 0.500044 0.750039 Mn\n0.497612 0.999500 0.999645 Cr\n0.999212 0.250144 0.999958 Cr\n0.999212 0.250144 0.250042 Cr\n0.497612 0.999500 0.250355 Cr\n0.207751 0.104016 0.269596 O\n0.206017 0.103936 0.770485 O\n0.205876 0.603530 0.270267 O\n0.205982 0.603925 0.770158 O\n0.794053 0.396554 0.230003 O\n0.793862 0.396167 0.729789 O\n0.793367 0.895839 0.229595 O\n0.794068 0.896059 0.729909 O\n0.707805 0.145788 0.230107 O\n0.706056 0.146163 0.729844 O\n0.705783 0.646472 0.229781 O\n0.705997 0.646074 0.729814 O\n0.293644 0.354111 0.270244 O\n0.293804 0.353869 0.770331 O\n0.293833 0.853350 0.269836 O\n0.294141 0.853996 0.770328 O\n0.293804 0.353869 0.479668 O\n0.293644 0.354111 0.979755 O\n0.294141 0.853997 0.479671 O\n0.293833 0.853350 0.980163 O\n0.707805 0.145788 0.019892 O\n0.706056 0.146163 0.520155 O\n0.705783 0.646471 0.020218 O\n0.705997 0.646073 0.520185 O\n0.794053 0.396554 0.019996 O\n0.793862 0.396167 0.520210 O\n0.793367 0.895838 0.020404 O\n0.794068 0.896059 0.520090 O\n0.206017 0.103936 0.479514 O\n0.207751 0.104016 0.980403 O\n0.205982 0.603925 0.479841 O\n0.205876 0.603530 0.979732 O\n0.577447 0.009728 0.374830 O\n0.577447 0.009729 0.875170 O\n0.578508 0.509447 0.375044 O\n0.578508 0.509447 0.874956 O\n0.421535 0.490132 0.125000 O\n0.421912 0.490487 0.625000 O\n0.423728 0.990879 0.125000 O\n0.421882 0.990552 0.625000 O\n0.075733 0.240295 0.125000 O\n0.078165 0.240591 0.625000 O\n0.078983 0.740589 0.125000 O\n0.078089 0.740476 0.625000 O\n0.922233 0.259401 0.374890 O\n0.922233 0.259402 0.875110 O\n0.921771 0.759721 0.375030 O\n0.921771 0.759721 0.874970 O\n",
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"formula_full": "Ca16 Mn12 Cr4 O48",
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}
]
}