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{
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"structure_string": "Na4 Ti14 O30\n1.0\n1.883502 7.673878 0.000000\n-1.883502 7.673878 0.000000\n0.000000 2.265857 21.294784\nNa Ti O\n4 14 30\ndirect\n0.998099 0.998099 0.005257 Na\n0.064171 0.064171 0.815952 Na\n0.034546 0.034546 0.395768 Na\n0.965413 0.965413 0.601092 Na\n0.642197 0.642197 0.099649 Ti\n0.359525 0.359525 0.901438 Ti\n0.376834 0.376834 0.325441 Ti\n0.622883 0.622883 0.670508 Ti\n0.255034 0.255034 0.187968 Ti\n0.747492 0.747492 0.812449 Ti\n0.723314 0.723314 0.381781 Ti\n0.277603 0.277603 0.615954 Ti\n0.303859 0.303859 0.044928 Ti\n0.695021 0.695021 0.955897 Ti\n0.333357 0.333357 0.472153 Ti\n0.667587 0.667587 0.525369 Ti\n0.596465 0.596465 0.241380 Ti\n0.400319 0.400319 0.755309 Ti\n0.179042 0.179042 0.096872 O\n0.821758 0.821758 0.900745 O\n0.625029 0.625029 0.448808 O\n0.373763 0.373763 0.552407 O\n0.426179 0.426179 0.414074 O\n0.574611 0.574611 0.588469 O\n0.657021 0.657021 0.319889 O\n0.344605 0.344605 0.679912 O\n0.795496 0.795496 0.471948 O\n0.202412 0.202412 0.531485 O\n0.346951 0.346951 0.118690 O\n0.651080 0.651080 0.879201 O\n0.315036 0.315036 0.253321 O\n0.680037 0.680037 0.751052 O\n0.255405 0.255405 0.392003 O\n0.744580 0.744580 0.610674 O\n0.552670 0.552670 0.157659 O\n0.451784 0.451784 0.842900 O\n0.720856 0.720856 0.176624 O\n0.280632 0.280632 0.821119 O\n0.772665 0.772665 0.036021 O\n0.227396 0.227396 0.959859 O\n0.489432 0.489432 0.288027 O\n0.512730 0.512730 0.716222 O\n0.129138 0.129138 0.232925 O\n0.874085 0.874085 0.767029 O\n0.849716 0.849716 0.337935 O\n0.150250 0.150250 0.664592 O\n0.598451 0.598451 0.017363 O\n0.402470 0.402470 0.980885 O\n",
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"formula_full": "Na4 Ti14 O30",
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},
{
"id": "mp-1102092",
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"structure_string": "Na4 Fe4 S8 O32\n1.0\n8.176113 0.002490 0.048155\n0.000796 -10.464691 0.007544\n-3.862719 2.619883 -7.274910\nNa Fe S O\n4 4 8 32\ndirect\n0.250007 0.624970 0.500016 Na\n0.749999 0.374987 0.500015 Na\n0.250003 0.125024 0.500076 Na\n0.750046 0.875005 0.500094 Na\n0.000136 0.000189 0.000275 Fe\n0.500120 0.750116 0.000161 Fe\n0.999889 0.500101 0.999860 Fe\n0.499821 0.249883 0.999875 Fe\n0.253184 0.305969 0.221884 S\n0.753236 0.056029 0.222130 S\n0.253253 0.805938 0.221941 S\n0.753197 0.555903 0.221932 S\n0.246786 0.444079 0.778016 S\n0.746769 0.194018 0.777954 S\n0.246742 0.944047 0.778109 S\n0.746764 0.694074 0.777956 S\n0.295095 0.266185 0.064233 O\n0.795385 0.016589 0.064651 O\n0.295280 0.766485 0.064433 O\n0.795217 0.516451 0.064386 O\n0.204703 0.483580 0.935543 O\n0.704594 0.233374 0.935407 O\n0.204746 0.983594 0.935672 O\n0.704624 0.733422 0.935401 O\n0.416292 0.351402 0.401796 O\n0.916200 0.101606 0.402087 O\n0.416296 0.851316 0.401789 O\n0.916310 0.601360 0.401786 O\n0.083822 0.398493 0.598079 O\n0.583813 0.148404 0.597951 O\n0.083676 0.898664 0.598241 O\n0.583800 0.648472 0.597969 O\n0.136250 0.417534 0.201946 O\n0.636122 0.167487 0.201975 O\n0.136291 0.917506 0.202077 O\n0.636231 0.667485 0.201984 O\n0.136468 0.184814 0.203151 O\n0.636528 0.934830 0.203226 O\n0.136387 0.684736 0.202925 O\n0.636417 0.434742 0.203105 O\n0.363629 0.565274 0.796977 O\n0.863484 0.315205 0.796834 O\n0.363458 0.065239 0.796968 O\n0.863550 0.815268 0.796937 O\n0.363839 0.332534 0.798043 O\n0.863877 0.082524 0.798080 O\n0.363800 0.832536 0.798027 O\n0.863849 0.582559 0.798024 O\n",
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"formula_full": "Na4 Fe4 S8 O32",
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"spacegroup": 12
},
{
"id": "mp-1044811",
"created_at": "2022-09-04T14:47:12.961844Z",
"structure_string": "Ba6 Mn6 Al3 F33\n1.0\n3.742886 -6.482868 0.000000\n3.742886 6.482868 0.000000\n0.000000 0.000000 14.498878\nBa Mn Al F\n6 6 3 33\ndirect\n0.866149 0.856650 0.666234 Ba\n0.506751 0.155925 0.799964 Ba\n0.990502 0.133851 0.999568 Ba\n0.844075 0.350826 0.466631 Ba\n0.649174 0.493249 0.133297 Ba\n0.143350 0.009498 0.332901 Ba\n0.962303 0.660129 0.888634 Mn\n0.126274 0.431830 0.725304 Mn\n0.568170 0.694443 0.391971 Mn\n0.697826 0.037697 0.221968 Mn\n0.305557 0.873726 0.058638 Mn\n0.339871 0.302174 0.555301 Mn\n0.501892 0.679977 0.871908 Al\n0.178085 0.498108 0.205241 Al\n0.320023 0.821915 0.538575 Al\n0.994277 0.753852 0.027703 F\n0.827887 0.354647 0.925983 F\n0.759576 0.005723 0.361037 F\n0.425707 0.084075 0.489450 F\n0.871521 0.905038 0.182392 F\n0.237741 0.292703 0.186780 F\n0.915925 0.341632 0.156117 F\n0.707297 0.945038 0.853447 F\n0.033517 0.128479 0.515726 F\n0.612852 0.009122 0.083302 F\n0.658368 0.574293 0.822784 F\n0.246148 0.240424 0.694370 F\n0.611255 0.681585 0.981019 F\n0.367549 0.168734 0.020804 F\n0.070331 0.388745 0.314353 F\n0.645353 0.473240 0.592649 F\n0.331747 0.785177 0.912690 F\n0.396271 0.387148 0.416635 F\n0.307671 0.734703 0.418908 F\n0.318415 0.929669 0.647686 F\n0.427032 0.692329 0.752241 F\n0.831266 0.198814 0.687471 F\n0.801186 0.632451 0.354138 F\n0.453431 0.668253 0.246024 F\n0.990878 0.603729 0.749968 F\n0.094962 0.966483 0.849059 F\n0.526760 0.172113 0.259316 F\n0.273824 0.423390 0.876893 F\n0.149567 0.726176 0.210226 F\n0.265297 0.572968 0.085574 F\n0.054962 0.762259 0.520113 F\n0.214823 0.546569 0.579357 F\n0.576610 0.850433 0.543559 F\n",
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"formula_full": "Ba6 Mn6 Al3 F33",
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{
"id": "mp-1176445",
"created_at": "2022-09-04T14:47:07.859059Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n8.404738 0.000000 0.000000\n1.765739 8.218169 0.000000\n0.212052 0.000456 8.946358\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.767376 0.495018 0.917081 Na\n0.221593 0.037559 0.908116 Na\n0.620987 0.878709 0.741386 Na\n0.369485 0.625921 0.742385 Na\n0.619038 0.368605 0.265873 Na\n0.120916 0.868330 0.263275 Na\n0.235052 0.474464 0.080849 Na\n0.754447 0.991811 0.082213 Na\n0.984566 0.764707 0.653849 Fe\n0.484814 0.265178 0.654167 Fe\n0.022591 0.239240 0.351463 Fe\n0.522079 0.741143 0.339924 Fe\n0.762964 0.485936 0.572981 P\n0.271060 0.977702 0.576376 P\n0.735578 0.018316 0.424833 P\n0.236356 0.519049 0.424484 P\n0.514825 0.243487 0.934699 C\n0.009168 0.739328 0.934411 C\n0.988277 0.254976 0.072236 C\n0.484998 0.759471 0.059886 C\n0.977770 0.264934 0.931978 O\n0.467289 0.776361 0.918695 O\n0.402975 0.356494 0.873294 O\n0.887531 0.840702 0.872958 O\n0.600795 0.138847 0.840241 O\n0.104701 0.642143 0.840006 O\n0.824534 0.612938 0.669832 O\n0.343542 0.096773 0.672741 O\n0.636839 0.425711 0.677787 O\n0.153379 0.906710 0.681435 O\n0.319248 0.439695 0.566527 O\n0.810347 0.931597 0.567027 O\n0.902324 0.344499 0.524150 O\n0.414680 0.832904 0.530653 O\n0.600415 0.167558 0.472249 O\n0.099476 0.666804 0.472330 O\n0.186667 0.055883 0.435706 O\n0.678673 0.564233 0.430264 O\n0.864694 0.076941 0.324439 O\n0.168432 0.397055 0.329244 O\n0.358859 0.583410 0.318809 O\n0.663029 0.902910 0.323978 O\n0.891229 0.353278 0.165586 O\n0.391029 0.854576 0.155724 O\n0.600314 0.648613 0.118011 O\n0.102358 0.146300 0.137659 O\n0.537702 0.235568 0.074248 O\n0.032532 0.735150 0.073941 O\n",
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{
"id": "mp-1196968",
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"structure_string": "B4 H20 O8 F16\n1.0\n9.746564 0.000000 0.000000\n0.000000 6.652603 0.000000\n0.000000 0.695219 7.104487\nB H O F\n4 20 8 16\ndirect\n0.380020 0.792504 0.355066 B\n0.880020 0.207496 0.144934 B\n0.619980 0.207496 0.644934 B\n0.119980 0.792504 0.855066 B\n0.591226 0.698718 0.917408 H\n0.091226 0.301282 0.582592 H\n0.408774 0.301282 0.082592 H\n0.908774 0.698718 0.417408 H\n0.762446 0.604405 0.019730 H\n0.262446 0.395595 0.480270 H\n0.237554 0.395595 0.980270 H\n0.737554 0.604405 0.519730 H\n0.742914 0.845935 0.000547 H\n0.242914 0.154065 0.499453 H\n0.257086 0.154065 0.999453 H\n0.757086 0.845935 0.500547 H\n0.463610 0.711175 0.738935 H\n0.963610 0.288825 0.761065 H\n0.536390 0.288825 0.261065 H\n0.036390 0.711175 0.238935 H\n0.420677 0.783235 0.938844 H\n0.920677 0.216765 0.561156 H\n0.579323 0.216765 0.061156 H\n0.079323 0.783235 0.438844 H\n0.716443 0.719616 0.948658 O\n0.216443 0.280384 0.551342 O\n0.283557 0.280384 0.051342 O\n0.783557 0.719616 0.448658 O\n0.475357 0.684160 0.877587 O\n0.975357 0.315840 0.622413 O\n0.524643 0.315840 0.122413 O\n0.024643 0.684160 0.377587 O\n0.447996 0.884462 0.196025 F\n0.947996 0.115538 0.303975 F\n0.552004 0.115538 0.803975 F\n0.052004 0.884462 0.696025 F\n0.269975 0.919293 0.406036 F\n0.769975 0.080707 0.093964 F\n0.730025 0.080707 0.593964 F\n0.230025 0.919293 0.906036 F\n0.324707 0.603489 0.316640 F\n0.824707 0.396511 0.183360 F\n0.675293 0.396511 0.683360 F\n0.175293 0.603489 0.816640 F\n0.472965 0.761294 0.508775 F\n0.972965 0.238706 0.991225 F\n0.527035 0.238706 0.491225 F\n0.027035 0.761294 0.008775 F\n",
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{
"id": "mp-554539",
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"structure_string": "Ca12 Si6 H4 O26\n1.0\n6.892565 0.000000 0.000000\n-0.981479 6.936979 0.000000\n-1.724757 -0.427082 12.863244\nCa Si H O\n12 6 4 26\ndirect\n0.683820 0.808258 0.124249 Ca\n0.809872 0.796224 0.511797 Ca\n0.440055 0.966666 0.678654 Ca\n0.107140 0.527813 0.709079 Ca\n0.918728 0.805355 0.898366 Ca\n0.081272 0.194645 0.101634 Ca\n0.190128 0.203776 0.488203 Ca\n0.892860 0.472187 0.290921 Ca\n0.406478 0.523252 0.296712 Ca\n0.559945 0.033334 0.321346 Ca\n0.593522 0.476748 0.703288 Ca\n0.316180 0.191742 0.875751 Ca\n0.385873 0.711317 0.902003 Si\n0.614127 0.288683 0.097997 Si\n0.285236 0.701062 0.490900 Si\n0.810308 0.284853 0.884356 Si\n0.189692 0.715147 0.115644 Si\n0.714764 0.298938 0.509100 Si\n0.188329 0.027892 0.277203 H\n0.066236 0.117674 0.676681 H\n0.811671 0.972108 0.722797 H\n0.933764 0.882326 0.323319 H\n0.743116 0.150882 0.176167 O\n0.833553 0.485018 0.581984 O\n0.884986 0.489409 0.830819 O\n0.358164 0.633197 0.609752 O\n0.616818 0.185198 0.804701 O\n0.764577 0.839199 0.698367 O\n0.641836 0.366803 0.390248 O\n0.618587 0.488716 0.165599 O\n0.252483 0.664259 0.999828 O\n0.383182 0.814802 0.195299 O\n0.381413 0.511284 0.834401 O\n0.810228 0.793248 0.314802 O\n0.166447 0.514982 0.418016 O\n0.747517 0.335741 0.000172 O\n0.846861 0.127627 0.489054 O\n0.235423 0.160801 0.301633 O\n0.256884 0.849118 0.823833 O\n0.189772 0.206752 0.685198 O\n0.521302 0.217839 0.566533 O\n0.609580 0.806471 0.947415 O\n0.478698 0.782161 0.433467 O\n0.014224 0.851025 0.090273 O\n0.985776 0.148975 0.909727 O\n0.115014 0.510591 0.169181 O\n0.153139 0.872373 0.510946 O\n0.390420 0.193529 0.052585 O\n",
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{
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