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{
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{
"id": "mp-774552",
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"structure_string": "Li11 Y14 Ti14 S14 O35\n1.0\n8.909345 0.000000 0.000000\n2.670760 10.999295 0.000000\n1.742734 1.006080 12.400214\nLi Y Ti S O\n11 14 14 14 35\ndirect\n0.649119 0.000013 0.290165 Li\n0.223750 0.000069 0.929452 Li\n0.635548 0.999976 0.790198 Li\n0.500000 0.000000 0.500000 Li\n0.364452 0.000024 0.209802 Li\n0.350881 0.999987 0.709835 Li\n0.208864 0.000017 0.429530 Li\n0.068968 0.999963 0.150200 Li\n0.776250 0.999931 0.070548 Li\n0.931032 0.000037 0.849800 Li\n0.791136 0.999983 0.570470 Li\n0.665349 0.673662 0.165373 Y\n0.624066 0.326188 0.404983 Y\n0.478548 0.326437 0.118919 Y\n0.375934 0.673812 0.595017 Y\n0.521452 0.673563 0.881081 Y\n0.092836 0.674601 0.023277 Y\n0.234426 0.673959 0.309428 Y\n0.048055 0.326131 0.262719 Y\n0.334651 0.326338 0.834627 Y\n0.189244 0.326826 0.548342 Y\n0.907164 0.325399 0.976723 Y\n0.951945 0.673869 0.737281 Y\n0.810756 0.673174 0.451658 Y\n0.765574 0.326041 0.690572 Y\n0.623859 0.817614 0.655616 Ti\n0.480471 0.817599 0.370435 Ti\n0.339275 0.820999 0.083275 Ti\n0.660725 0.179001 0.916725 Ti\n0.519529 0.182401 0.629565 Ti\n0.236904 0.179116 0.057740 Ti\n0.376141 0.182386 0.344384 Ti\n0.192919 0.821185 0.796670 Ti\n0.049952 0.825322 0.512449 Ti\n0.909287 0.821085 0.228922 Ti\n0.763096 0.820884 0.942260 Ti\n0.807081 0.178815 0.203330 Ti\n0.090713 0.178915 0.771078 Ti\n0.950048 0.174678 0.487551 Ti\n0.688075 0.590051 0.672361 S\n0.545393 0.589912 0.386124 S\n0.400096 0.589294 0.101482 S\n0.599904 0.410706 0.898518 S\n0.311925 0.409949 0.327639 S\n0.454607 0.410088 0.613876 S\n0.165825 0.410500 0.042920 S\n0.973766 0.589345 0.241813 S\n0.261399 0.589214 0.816840 S\n0.118218 0.588003 0.529354 S\n0.834175 0.589500 0.957080 S\n0.738601 0.410786 0.183160 S\n0.026234 0.410655 0.758187 S\n0.881782 0.411997 0.470646 S\n0.697658 0.811189 0.300281 O\n0.557326 0.799264 0.014383 O\n0.268848 0.810594 0.941003 O\n0.695346 0.811322 0.799505 O\n0.553779 0.811592 0.513493 O\n0.589747 0.188680 0.273347 O\n0.412535 0.811201 0.227430 O\n0.442674 0.200736 0.985617 O\n0.587465 0.188799 0.772570 O\n0.570774 0.999974 0.643125 O\n0.429226 0.000026 0.356875 O\n0.410253 0.811320 0.726653 O\n0.267986 0.812594 0.441988 O\n0.446221 0.188408 0.486507 O\n0.304654 0.188678 0.200495 O\n0.126604 0.809917 0.156959 O\n0.277357 0.000014 0.074606 O\n0.160756 0.187523 0.415160 O\n0.987352 0.797452 0.372743 O\n0.302342 0.188811 0.699719 O\n0.128463 0.797452 0.656243 O\n0.017907 0.190057 0.129799 O\n0.839362 0.810672 0.086027 O\n0.722643 0.999986 0.925394 O\n0.871537 0.202548 0.343757 O\n0.854417 0.999956 0.209427 O\n0.160638 0.189328 0.913973 O\n0.000000 0.000000 0.500000 O\n0.982093 0.809943 0.870201 O\n0.145583 0.000044 0.790573 O\n0.012648 0.202548 0.627257 O\n0.839244 0.812477 0.584840 O\n0.731152 0.189406 0.058997 O\n0.732014 0.187406 0.558012 O\n0.873396 0.190083 0.843041 O\n",
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"formula_full": "Li11 Y14 Ti14 S14 O35",
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{
"id": "mp-1365499",
"created_at": "2022-09-04T14:43:09.511860Z",
"structure_string": "Fe14 Ni11 O32\n1.0\n5.926101 0.000000 0.000000\n2.937950 5.359706 0.000000\n2.963066 1.366053 19.510941\nFe Ni O\n14 11 32\ndirect\n0.512535 0.738208 0.752513 Fe\n0.613894 0.702102 0.936225 Fe\n0.058251 0.732559 0.846332 Fe\n0.125361 0.429903 0.689191 Fe\n0.045970 0.416720 0.510946 Fe\n0.318819 0.340409 0.969949 Fe\n0.058085 0.219474 0.843686 Fe\n0.585415 0.261597 0.434615 Fe\n0.578641 0.944139 0.602816 Fe\n0.538144 0.178780 0.257417 Fe\n0.074492 0.016430 0.166749 Fe\n0.061840 0.719779 0.343225 Fe\n0.552668 0.984702 0.090387 Fe\n0.546160 0.482798 0.088855 Fe\n0.564792 0.222108 0.843399 Ni\n0.569762 0.454038 0.596358 Ni\n0.074661 0.947457 0.600228 Ni\n0.816681 0.090785 0.720660 Ni\n0.817515 0.834744 0.468369 Ni\n0.060624 0.218748 0.342166 Ni\n0.562043 0.717646 0.343216 Ni\n0.313416 0.843012 0.470167 Ni\n0.306239 0.603106 0.217528 Ni\n0.047655 0.488647 0.086273 Ni\n0.812321 0.589482 0.217011 Ni\n0.419870 0.533381 0.905939 O\n0.189186 0.408340 0.788442 O\n0.952485 0.528882 0.905885 O\n0.422769 0.056109 0.906134 O\n0.703262 0.391629 0.782816 O\n0.933970 0.267043 0.654031 O\n0.184272 0.908914 0.784229 O\n0.693401 0.137729 0.531323 O\n0.454291 0.260604 0.653629 O\n0.931642 0.041498 0.892316 O\n0.704855 0.903344 0.784348 O\n0.933939 0.784968 0.656739 O\n0.440504 0.033864 0.406345 O\n0.229275 0.085448 0.540973 O\n0.176516 0.926358 0.268594 O\n0.694012 0.652932 0.531610 O\n0.450732 0.764517 0.653562 O\n0.924900 0.040814 0.407816 O\n0.188236 0.643518 0.530595 O\n0.403565 0.589496 0.400711 O\n0.720287 0.845786 0.285145 O\n0.932710 0.786244 0.153332 O\n0.668571 0.678438 0.034970 O\n0.192884 0.403135 0.278259 O\n0.431354 0.780042 0.151236 O\n0.938930 0.518077 0.411483 O\n0.888884 0.355709 0.143708 O\n0.680398 0.410574 0.279836 O\n0.218223 0.611611 0.036226 O\n0.650961 0.192672 0.040235 O\n0.447690 0.282731 0.160309 O\n0.206443 0.185721 0.038445 O\n",
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{
"id": "mp-33318",
"created_at": "2022-09-04T14:43:49.644297Z",
"structure_string": "Ca11 Al14 O32\n1.0\n6.050463 8.566733 0.000000\n-6.050463 8.566733 0.000000\n0.000000 8.488307 8.564793\nCa Al O\n11 14 32\ndirect\n0.634024 0.140802 0.364218 Ca\n0.746111 0.748369 0.137099 Ca\n0.251631 0.253889 0.862901 Ca\n0.120964 0.611687 0.878794 Ca\n0.882631 0.117369 0.500000 Ca\n0.859198 0.365976 0.635782 Ca\n0.750051 0.749430 0.613413 Ca\n0.135781 0.864219 0.000000 Ca\n0.250570 0.249949 0.386587 Ca\n0.610490 0.389510 0.000000 Ca\n0.388313 0.879036 0.121206 Ca\n0.874395 0.125605 0.000000 Al\n0.533962 0.000830 0.715672 Al\n0.376329 0.874437 0.622736 Al\n0.621376 0.378624 0.500000 Al\n0.033496 0.000251 0.216089 Al\n0.999749 0.966504 0.783911 Al\n0.999171 0.466038 0.284328 Al\n0.249590 0.248759 0.126567 Al\n0.465967 0.499302 0.748163 Al\n0.125563 0.623671 0.377264 Al\n0.506608 0.040495 0.240460 Al\n0.500698 0.534033 0.251837 Al\n0.751241 0.750410 0.873433 Al\n0.959505 0.493392 0.759540 Al\n0.412104 0.017295 0.431139 O\n0.687916 0.122366 0.155600 O\n0.613521 0.510491 0.328518 O\n0.612665 0.185894 0.546004 O\n0.382210 0.682489 0.673777 O\n0.489509 0.386479 0.671482 O\n0.020749 0.090062 0.043917 O\n0.909483 0.795829 0.858652 O\n0.096242 0.466767 0.806798 O\n0.909938 0.979251 0.956083 O\n0.814106 0.387335 0.453996 O\n0.522243 0.912732 0.631084 O\n0.006075 0.632801 0.115343 O\n0.204171 0.090517 0.141348 O\n0.188278 0.898146 0.762571 O\n0.092267 0.293218 0.271753 O\n0.297281 0.402919 0.937936 O\n0.867139 0.003770 0.381071 O\n0.996230 0.132861 0.618929 O\n0.706782 0.907733 0.728247 O\n0.087268 0.477757 0.368916 O\n0.101854 0.811722 0.237429 O\n0.982705 0.587896 0.568861 O\n0.403866 0.212339 0.160329 O\n0.367199 0.993925 0.884657 O\n0.632835 0.503767 0.747769 O\n0.317511 0.617790 0.326223 O\n0.496233 0.367165 0.252231 O\n0.597081 0.702719 0.062064 O\n0.877634 0.312084 0.844400 O\n0.787661 0.596134 0.839671 O\n0.533233 0.903758 0.193202 O\n",
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{
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"structure_string": "Fe14 Ni11 O32\n1.0\n-5.926101 0.000000 0.000000\n2.937950 5.359706 0.000000\n2.963035 -1.366053 -19.510941\nFe Ni O\n14 11 32\ndirect\n0.487465 0.738208 0.247487 Fe\n0.386106 0.702102 0.063775 Fe\n0.941749 0.732559 0.153668 Fe\n0.874639 0.429903 0.310809 Fe\n0.954030 0.416720 0.489054 Fe\n0.681181 0.340409 0.030051 Fe\n0.941915 0.219474 0.156314 Fe\n0.414585 0.261597 0.565385 Fe\n0.421359 0.944139 0.397184 Fe\n0.461856 0.178780 0.742583 Fe\n0.925508 0.016430 0.833251 Fe\n0.938160 0.719779 0.656775 Fe\n0.447332 0.984702 0.909613 Fe\n0.453840 0.482798 0.911145 Fe\n0.435208 0.222108 0.156601 Ni\n0.430238 0.454038 0.403642 Ni\n0.925339 0.947457 0.399772 Ni\n0.183319 0.090785 0.279340 Ni\n0.182485 0.834744 0.531631 Ni\n0.939376 0.218748 0.657834 Ni\n0.437957 0.717646 0.656784 Ni\n0.686584 0.843012 0.529833 Ni\n0.693761 0.603106 0.782472 Ni\n0.952345 0.488647 0.913727 Ni\n0.187679 0.589482 0.782989 Ni\n0.580130 0.533381 0.094061 O\n0.810814 0.408340 0.211558 O\n0.047515 0.528882 0.094115 O\n0.577231 0.056109 0.093866 O\n0.296738 0.391629 0.217184 O\n0.066030 0.267043 0.345969 O\n0.815728 0.908914 0.215771 O\n0.306599 0.137729 0.468677 O\n0.545709 0.260604 0.346371 O\n0.068358 0.041498 0.107684 O\n0.295145 0.903344 0.215652 O\n0.066061 0.784968 0.343261 O\n0.559496 0.033864 0.593655 O\n0.770725 0.085448 0.459027 O\n0.823484 0.926358 0.731406 O\n0.305988 0.652932 0.468390 O\n0.549268 0.764517 0.346438 O\n0.075100 0.040814 0.592184 O\n0.811764 0.643518 0.469405 O\n0.596435 0.589496 0.599289 O\n0.279713 0.845786 0.714855 O\n0.067290 0.786244 0.846668 O\n0.331429 0.678438 0.965030 O\n0.807116 0.403135 0.721741 O\n0.568646 0.780042 0.848764 O\n0.061070 0.518077 0.588517 O\n0.111116 0.355709 0.856292 O\n0.319602 0.410574 0.720164 O\n0.781777 0.611611 0.963774 O\n0.349039 0.192672 0.959765 O\n0.552310 0.282731 0.839691 O\n0.793557 0.185721 0.961555 O\n",
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{
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"structure_string": "Te16 Rh11\n1.0\n7.383115 0.000000 0.000000\n-3.527757 8.706698 0.000000\n-0.861395 -1.572431 10.099949\nTe Rh\n16 11\ndirect\n0.197428 0.075273 0.926643 Te\n0.051350 0.697483 0.033917 Te\n0.361186 0.548309 0.629332 Te\n0.042631 0.735440 0.709222 Te\n0.492491 0.382314 0.868971 Te\n0.574130 0.894301 0.728916 Te\n0.848664 0.253640 0.626291 Te\n0.234514 0.112290 0.553738 Te\n0.765486 0.887710 0.446262 Te\n0.151336 0.746360 0.373709 Te\n0.425870 0.105699 0.271084 Te\n0.507509 0.617686 0.131029 Te\n0.957369 0.264560 0.290778 Te\n0.638814 0.451691 0.370668 Te\n0.948650 0.302517 0.966083 Te\n0.802572 0.924727 0.073357 Te\n0.270245 0.545451 0.897509 Rh\n0.549908 0.360614 0.615163 Rh\n0.500000 0.000000 0.500000 Rh\n0.346799 0.867304 0.911274 Rh\n0.046225 0.013962 0.302008 Rh\n0.729755 0.454549 0.102491 Rh\n0.865998 0.491096 0.824640 Rh\n0.134002 0.508904 0.175360 Rh\n0.953775 0.986038 0.697992 Rh\n0.653201 0.132696 0.088726 Rh\n0.450092 0.639386 0.384837 Rh\n",
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