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{
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{
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{
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"structure_string": "Hf6 Ni14\n1.0\n6.503860 0.000000 0.000000\n-2.527976 6.066964 0.000000\n-1.916615 -2.623495 6.886440\nHf Ni\n6 14\ndirect\n0.500383 0.727337 0.868803 Hf\n0.499617 0.272663 0.131197 Hf\n0.900886 0.544695 0.778059 Hf\n0.099114 0.455305 0.221941 Hf\n0.842256 0.974328 0.624703 Hf\n0.157744 0.025672 0.375297 Hf\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.771227 0.063318 0.215055 Ni\n0.228773 0.936682 0.784945 Ni\n0.617475 0.176010 0.456741 Ni\n0.382525 0.823990 0.543259 Ni\n0.445325 0.300070 0.734808 Ni\n0.554675 0.699930 0.265192 Ni\n0.180757 0.359366 0.906038 Ni\n0.819243 0.640634 0.093962 Ni\n0.106402 0.383572 0.559445 Ni\n0.893598 0.616428 0.440555 Ni\n0.278313 0.827097 0.107457 Ni\n0.721687 0.172903 0.892543 Ni\n",
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{
"id": "mp-569804",
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"structure_string": "Er5 Zr3 Ni16 As12\n1.0\n6.375189 -11.042152 0.000000\n6.375189 11.042152 0.000000\n0.000000 0.000000 3.910946\nEr Zr Ni As\n5 3 16 12\ndirect\n0.816525 0.000000 0.500000 Er\n0.183475 0.183475 0.500000 Er\n0.000000 0.816525 0.500000 Er\n0.666667 0.333333 0.000000 Er\n0.333333 0.666667 0.000000 Er\n0.562377 0.562377 0.000000 Zr\n0.000000 0.437623 0.000000 Zr\n0.437623 0.000000 0.000000 Zr\n0.878680 0.517386 0.500000 Ni\n0.517386 0.878680 0.500000 Ni\n0.000000 0.275597 0.500000 Ni\n0.361295 0.482614 0.500000 Ni\n0.192662 0.816948 0.000000 Ni\n0.275597 0.000000 0.500000 Ni\n0.375714 0.183052 0.000000 Ni\n0.624286 0.807338 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.121320 0.638705 0.500000 Ni\n0.482614 0.361295 0.500000 Ni\n0.816948 0.192662 0.000000 Ni\n0.724403 0.724403 0.500000 Ni\n0.183052 0.375714 0.000000 Ni\n0.807338 0.624286 0.000000 Ni\n0.638705 0.121320 0.500000 Ni\n0.177579 0.000000 0.000000 As\n0.645549 0.000000 0.000000 As\n0.520053 0.692743 0.500000 As\n0.479947 0.172690 0.500000 As\n0.692743 0.520053 0.500000 As\n0.307257 0.827310 0.500000 As\n0.827310 0.307257 0.500000 As\n0.822421 0.822421 0.000000 As\n0.000000 0.645549 0.000000 As\n0.000000 0.177579 0.000000 As\n0.172690 0.479947 0.500000 As\n0.354451 0.354451 0.000000 As\n",
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{
"id": "mp-541389",
"created_at": "2022-09-04T14:39:46.998097Z",
"structure_string": "Rb10 Co4 O8\n1.0\n7.074718 -0.000488 0.081141\n2.963642 7.722333 4.419737\n0.008615 0.031503 9.717262\nRb Co O\n10 4 8\ndirect\n0.903412 0.833431 0.777292 Rb\n0.096588 0.166569 0.222708 Rb\n0.899701 0.437217 0.777483 Rb\n0.100299 0.562783 0.222517 Rb\n0.730928 0.049841 0.024071 Rb\n0.269072 0.950159 0.975929 Rb\n0.381150 0.355216 0.635724 Rb\n0.618850 0.644784 0.364276 Rb\n0.621445 0.165835 0.383490 Rb\n0.378555 0.834165 0.616510 Rb\n0.610036 0.581558 0.028590 Co\n0.389964 0.418442 0.971410 Co\n0.984985 0.791045 0.422716 Co\n0.015015 0.208955 0.577284 Co\n0.689711 0.735611 0.045084 O\n0.310289 0.264389 0.954916 O\n0.228961 0.208022 0.478845 O\n0.771039 0.791978 0.521155 O\n0.319568 0.639934 0.951635 O\n0.680432 0.360066 0.048365 O\n0.810374 0.202569 0.685979 O\n0.189626 0.797431 0.314021 O\n",
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{
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"created_at": "2022-09-04T14:39:47.002921Z",
"structure_string": "Cr2 P6 H36 C12 S12 O12\n1.0\n5.668188 7.254374 0.000000\n-5.668188 7.254374 0.000000\n0.000000 1.779427 13.112405\nCr P H C S O\n2 6 36 12 12 12\ndirect\n0.660595 0.339405 0.750000 Cr\n0.339405 0.660595 0.250000 Cr\n0.930865 0.069135 0.750000 P\n0.069135 0.930865 0.250000 P\n0.707197 0.642717 0.650639 P\n0.357283 0.292803 0.849361 P\n0.292803 0.357283 0.349361 P\n0.642717 0.707197 0.150639 P\n0.851336 0.990364 0.963513 H\n0.009636 0.148664 0.536487 H\n0.148664 0.009636 0.036487 H\n0.990364 0.851336 0.463513 H\n0.765675 0.887840 0.887773 H\n0.112160 0.234325 0.612227 H\n0.234325 0.112160 0.112227 H\n0.887840 0.765675 0.387773 H\n0.924278 0.792857 0.956321 H\n0.207143 0.075722 0.543679 H\n0.075722 0.207143 0.043679 H\n0.792857 0.924278 0.456321 H\n0.978896 0.592797 0.756671 H\n0.407203 0.021104 0.743329 H\n0.021104 0.407203 0.243329 H\n0.592797 0.978896 0.256671 H\n0.030732 0.519703 0.633667 H\n0.480297 0.969268 0.866333 H\n0.969268 0.480297 0.366333 H\n0.519703 0.030732 0.133667 H\n0.075266 0.691634 0.657682 H\n0.308366 0.924734 0.842318 H\n0.924734 0.308366 0.342318 H\n0.691634 0.075266 0.157682 H\n0.399660 0.887775 0.536963 H\n0.112225 0.600340 0.963037 H\n0.600340 0.112225 0.463037 H\n0.887775 0.399660 0.036963 H\n0.451977 0.688624 0.529042 H\n0.311376 0.548023 0.970958 H\n0.548023 0.311376 0.470958 H\n0.688624 0.451976 0.029042 H\n0.385099 0.763725 0.650157 H\n0.236275 0.614901 0.849843 H\n0.614901 0.236275 0.349843 H\n0.763725 0.385099 0.150157 H\n0.871316 0.898030 0.914043 C\n0.101970 0.128684 0.585957 C\n0.128684 0.101970 0.085957 C\n0.898030 0.871316 0.414043 C\n0.993194 0.621610 0.674201 C\n0.378390 0.006806 0.825799 C\n0.006806 0.378390 0.325799 C\n0.621610 0.993194 0.174201 C\n0.449727 0.779580 0.576896 C\n0.220420 0.550273 0.923104 C\n0.550273 0.220420 0.423104 C\n0.779580 0.449727 0.076896 C\n0.738064 0.089388 0.686326 S\n0.910612 0.261936 0.813674 S\n0.261936 0.910612 0.313674 S\n0.089388 0.738064 0.186326 S\n0.735617 0.452723 0.581975 S\n0.547277 0.264383 0.918025 S\n0.264383 0.547277 0.418025 S\n0.452723 0.735617 0.081975 S\n0.633193 0.598489 0.796006 S\n0.401511 0.366807 0.703994 S\n0.366807 0.401511 0.203994 S\n0.598489 0.633193 0.296006 S\n0.975713 0.921746 0.827173 O\n0.078254 0.024287 0.672827 O\n0.024287 0.078254 0.172827 O\n0.921746 0.975713 0.327173 O\n0.853142 0.711132 0.637827 O\n0.288868 0.146858 0.862173 O\n0.146858 0.288868 0.362173 O\n0.711132 0.853142 0.137827 O\n0.601393 0.785619 0.593334 O\n0.214381 0.398607 0.906666 O\n0.398607 0.214381 0.406666 O\n0.785619 0.601393 0.093334 O\n",
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{
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{
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"structure_string": "Mn1 H44 C12 N8 Cl2 O10\n1.0\n-9.559115 0.000000 0.000000\n-0.660261 -9.635592 0.000000\n2.549451 4.652791 8.158430\nMn H C N Cl O\n1 44 12 8 2 10\ndirect\n0.500000 0.000000 0.500000 Mn\n0.712170 0.756084 0.402479 H\n0.287830 0.243916 0.597521 H\n0.630825 0.776610 0.248001 H\n0.369175 0.223390 0.751999 H\n0.627099 0.946119 0.770381 H\n0.372901 0.053881 0.229619 H\n0.691746 0.120363 0.827075 H\n0.308254 0.879637 0.172925 H\n0.694166 0.189885 0.453241 H\n0.305834 0.810115 0.546759 H\n0.635478 0.309853 0.605785 H\n0.364522 0.690147 0.394215 H\n0.799045 0.267954 0.094927 H\n0.200955 0.732046 0.905073 H\n0.908824 0.275616 0.003574 H\n0.091176 0.724384 0.996426 H\n0.835760 0.528697 0.408246 H\n0.164240 0.471303 0.591754 H\n0.947738 0.679508 0.518608 H\n0.052262 0.320492 0.481392 H\n0.651052 0.956730 0.088652 H\n0.348948 0.043270 0.911348 H\n0.493150 0.824447 0.948936 H\n0.506850 0.175553 0.051064 H\n0.650628 0.468982 0.944950 H\n0.349372 0.531018 0.055050 H\n0.492895 0.547313 0.867056 H\n0.507105 0.452687 0.132944 H\n0.659688 0.617373 0.608810 H\n0.340312 0.382627 0.391190 H\n0.497740 0.631883 0.675135 H\n0.502260 0.368117 0.324865 H\n0.862520 0.853488 0.193900 H\n0.137480 0.146512 0.806100 H\n0.861665 0.645274 0.132832 H\n0.138335 0.354726 0.867168 H\n0.871054 0.794807 0.796505 H\n0.128946 0.205193 0.203495 H\n0.865501 0.938386 0.002246 H\n0.134499 0.061614 0.997754 H\n0.870070 0.513275 0.712813 H\n0.129930 0.486725 0.287187 H\n0.866156 0.450581 0.857034 H\n0.133844 0.549419 0.142966 H\n0.612479 0.835388 0.987430 C\n0.387521 0.164612 0.012570 C\n0.612240 0.556778 0.905696 C\n0.387760 0.443222 0.094304 C\n0.617170 0.640787 0.712186 C\n0.382830 0.359213 0.287814 C\n0.824212 0.732362 0.092138 C\n0.175788 0.267638 0.907862 C\n0.828571 0.817184 0.899666 C\n0.171429 0.182816 0.100334 C\n0.828633 0.538350 0.817422 C\n0.171367 0.461650 0.182578 C\n0.667855 0.805239 0.847062 N\n0.332145 0.194761 0.152938 N\n0.663273 0.719682 0.044330 N\n0.336727 0.280318 0.955670 N\n0.667755 0.521329 0.763897 N\n0.332245 0.478671 0.236103 N\n0.884301 0.700734 0.954455 N\n0.115699 0.299266 0.045545 N\n0.816536 0.269558 0.325028 Cl\n0.183464 0.730442 0.674972 Cl\n0.629990 0.806342 0.361406 O\n0.370010 0.193658 0.638594 O\n0.621074 0.029977 0.737718 O\n0.378926 0.970023 0.262282 O\n0.637780 0.193828 0.526231 O\n0.362220 0.806172 0.473769 O\n0.803164 0.273495 0.997078 O\n0.196836 0.726505 0.002922 O\n0.845834 0.645510 0.453210 O\n0.154166 0.354490 0.546790 O\n",
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"formula_full": "Mn1 H44 C12 N8 Cl2 O10",
"formula_reduced": "MnH44C12N8(ClO5)2",
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},
{
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"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n-4.971931 6.420781 -0.217076\n-4.972035 -6.420858 -0.216965\n-4.530863 -0.000108 8.169810\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.178440 0.928438 0.103927 Li\n0.678427 0.428431 0.103915 Li\n0.321558 0.571562 0.896074 Li\n0.821572 0.071570 0.896086 Li\n0.261315 0.277177 0.725290 Li\n0.761313 0.777168 0.725276 Li\n0.238685 0.222825 0.274709 Li\n0.738687 0.722833 0.274724 Li\n0.027178 0.511308 0.725284 Li\n0.527167 0.011322 0.725282 Li\n0.472823 0.988693 0.274716 Li\n0.972834 0.488679 0.274717 Li\n0.312671 0.562698 0.332498 Ni\n0.187336 0.937294 0.667503 Ni\n0.812919 0.062895 0.332716 Ni\n0.687091 0.437100 0.667271 Ni\n0.054002 0.804002 0.413622 P\n0.553998 0.303994 0.413620 P\n0.445999 0.695999 0.586379 P\n0.946002 0.196007 0.586381 P\n0.511846 0.761845 0.041857 C\n0.011833 0.261834 0.041849 C\n0.988153 0.738155 0.958144 C\n0.488168 0.238167 0.958152 C\n0.582524 0.832516 0.420340 O\n0.082492 0.332500 0.420316 O\n0.917476 0.667483 0.579661 O\n0.417508 0.167500 0.579684 O\n0.371274 0.621265 0.073053 O\n0.871266 0.121278 0.073035 O\n0.128725 0.878735 0.926946 O\n0.628735 0.378722 0.926964 O\n0.956916 0.706909 0.836178 O\n0.456937 0.206943 0.836165 O\n0.543083 0.793089 0.163824 O\n0.043062 0.293057 0.163836 O\n0.200086 0.950093 0.437071 O\n0.700063 0.450055 0.437096 O\n0.299914 0.549908 0.562929 O\n0.799936 0.049945 0.562905 O\n0.118465 0.368459 0.896761 O\n0.618452 0.868459 0.896763 O\n0.381535 0.131543 0.103240 O\n0.881548 0.631542 0.103238 O\n0.351240 0.788959 0.692380 O\n0.851222 0.288963 0.692357 O\n0.538968 0.601217 0.692363 O\n0.038952 0.101237 0.692378 O\n0.148760 0.711041 0.307621 O\n0.648779 0.211037 0.307644 O\n0.961031 0.898784 0.307638 O\n0.461048 0.398764 0.307623 O\n",
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]
}