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{
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"results": [
{
"id": "mp-1173894",
"created_at": "2022-09-04T14:40:43.221334Z",
"structure_string": "Li4 Co2 O6\n1.0\n1.481709 4.910420 0.000000\n-1.481709 4.910420 0.000000\n0.000000 3.285924 7.171625\nLi Co O\n4 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.160794 0.160794 0.164716 Li\n0.839206 0.839206 0.835284 Li\n0.500000 0.500000 0.000000 Li\n0.160016 0.160016 0.677991 Co\n0.839984 0.839984 0.322009 Co\n0.175092 0.175092 0.431707 O\n0.825024 0.825024 0.109995 O\n0.513230 0.513230 0.743103 O\n0.824908 0.824908 0.568293 O\n0.486770 0.486770 0.256897 O\n0.174976 0.174976 0.890005 O\n",
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{
"id": "mp-765504",
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"structure_string": "Li8 Fe3 Co5 O16\n1.0\n2.895977 0.000000 0.000000\n0.000000 5.087324 0.000000\n0.000000 1.524279 18.888773\nLi Fe Co O\n8 3 5 16\ndirect\n0.500000 0.374984 0.872210 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.625016 0.127790 Li\n0.000000 0.750691 0.252990 Li\n0.500000 0.875331 0.377870 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.249309 0.747010 Li\n0.500000 0.124669 0.622130 Li\n0.000000 0.870559 0.869402 Fe\n0.000000 0.129441 0.130598 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.254081 0.255527 Co\n0.000000 0.375944 0.377792 Co\n0.000000 0.624056 0.622208 Co\n0.500000 0.745919 0.744473 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.300166 0.066582 O\n0.000000 0.419353 0.197795 O\n0.000000 0.343380 0.558425 O\n0.000000 0.580647 0.802205 O\n0.500000 0.530861 0.319645 O\n0.500000 0.469139 0.680355 O\n0.500000 0.699834 0.933418 O\n0.000000 0.656620 0.441575 O\n0.000000 0.827354 0.063539 O\n0.500000 0.780683 0.563802 O\n0.500000 0.040020 0.806578 O\n0.500000 0.959980 0.193422 O\n0.000000 0.902194 0.686321 O\n0.000000 0.172646 0.936461 O\n0.000000 0.097806 0.313679 O\n0.500000 0.219317 0.436198 O\n",
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"formula_full": "Li8 Fe3 Co5 O16",
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},
{
"id": "mp-760950",
"created_at": "2022-09-04T14:45:07.876361Z",
"structure_string": "Li8 Ti1 Ni7 O16\n1.0\n6.478833 0.000000 0.000000\n2.004232 6.200476 0.000000\n3.231316 0.963934 6.927259\nLi Ti Ni O\n8 1 7 16\ndirect\n0.323214 0.180159 0.068713 Li\n0.187698 0.311992 0.444301 Li\n0.942867 0.550844 0.190062 Li\n0.559660 0.929516 0.314098 Li\n0.442583 0.069838 0.684095 Li\n0.065120 0.447497 0.807139 Li\n0.810958 0.690139 0.557467 Li\n0.677235 0.813537 0.929461 Li\n0.999901 0.003918 0.989438 Ti\n0.623455 0.373766 0.126736 Ni\n0.127107 0.872031 0.622057 Ni\n0.250226 0.748081 0.251590 Ni\n0.877280 0.124610 0.374193 Ni\n0.497539 0.499020 0.500708 Ni\n0.750799 0.251487 0.747749 Ni\n0.376158 0.624675 0.875053 Ni\n0.673322 0.081369 0.030694 O\n0.287349 0.488978 0.154423 O\n0.965363 0.259466 0.107469 O\n0.567221 0.645755 0.243832 O\n0.540032 0.237574 0.406908 O\n0.212192 0.012445 0.343116 O\n0.179806 0.587655 0.529218 O\n0.927309 0.851296 0.271104 O\n0.090081 0.151464 0.732495 O\n0.819961 0.404353 0.467282 O\n0.797274 0.982753 0.632410 O\n0.462205 0.756452 0.592877 O\n0.416219 0.366007 0.763686 O\n0.046894 0.722340 0.909145 O\n0.694205 0.529927 0.852788 O\n0.335059 0.901869 0.962677 O\n",
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"formula_full": "Li8 Ti1 Ni7 O16",
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{
"id": "mp-558641",
"created_at": "2022-09-04T14:45:28.662424Z",
"structure_string": "Fe1 H44 C12 N10 O16\n1.0\n9.196016 0.000000 0.000000\n-4.556486 -8.283206 0.000000\n-2.423458 0.965807 -9.475426\nFe H C N O\n1 44 12 10 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.434193 0.453792 0.148027 H\n0.765226 0.773195 0.135873 H\n0.546290 0.183818 0.003236 H\n0.234774 0.226805 0.864127 H\n0.163893 0.630484 0.998604 H\n0.720595 0.040678 0.877755 H\n0.408492 0.682095 0.695826 H\n0.279405 0.959322 0.122245 H\n0.859941 0.499669 0.315487 H\n0.167238 0.677254 0.701115 H\n0.029127 0.832464 0.782952 H\n0.295828 0.153095 0.641619 H\n0.046159 0.156480 0.760031 H\n0.591508 0.317905 0.304174 H\n0.953841 0.843520 0.239969 H\n0.496262 0.275088 0.428320 H\n0.503738 0.724912 0.571680 H\n0.909018 0.374570 0.847009 H\n0.600991 0.952565 0.150338 H\n0.630351 0.632754 0.355148 H\n0.356925 0.533647 0.995222 H\n0.089194 0.305080 0.132908 H\n0.565807 0.546208 0.851973 H\n0.490762 0.053553 0.641482 H\n0.910806 0.694920 0.867092 H\n0.399009 0.047435 0.849662 H\n0.453710 0.816182 0.996764 H\n0.369649 0.367246 0.644852 H\n0.140059 0.500331 0.684513 H\n0.509238 0.946447 0.358518 H\n0.090982 0.625430 0.152991 H\n0.324281 0.129866 0.196714 H\n0.291429 0.809314 0.361192 H\n0.342230 0.448193 0.357068 H\n0.704172 0.846905 0.358381 H\n0.194651 0.519568 0.361096 H\n0.643075 0.466353 0.004778 H\n0.657770 0.551807 0.642932 H\n0.708571 0.190686 0.638808 H\n0.805349 0.480432 0.638904 H\n0.832762 0.322746 0.298885 H\n0.675719 0.870134 0.803286 H\n0.970873 0.167536 0.217048 H\n0.836107 0.369516 0.001396 H\n0.405616 0.274444 0.681103 C\n0.696404 0.460760 0.679349 C\n0.602694 0.454322 0.888935 C\n0.507839 0.169721 0.887385 C\n0.492161 0.830279 0.112615 C\n0.799506 0.357234 0.885522 C\n0.600821 0.175497 0.678765 C\n0.397306 0.545678 0.111065 C\n0.303596 0.539240 0.320651 C\n0.200494 0.642766 0.114478 C\n0.399179 0.824503 0.321235 C\n0.594384 0.725556 0.318897 C\n0.654470 0.191269 0.834891 N\n0.450200 0.702820 0.375405 N\n0.060769 0.811865 0.504343 N\n0.345530 0.808731 0.165109 N\n0.546478 0.709324 0.162375 N\n0.751261 0.482152 0.835698 N\n0.939231 0.188135 0.495657 N\n0.549800 0.297180 0.624595 N\n0.453522 0.290676 0.837625 N\n0.248739 0.517848 0.164302 N\n0.888449 0.812787 0.139284 O\n0.910663 0.081650 0.581373 O\n0.993427 0.814078 0.871082 O\n0.249868 0.049138 0.111617 O\n0.477099 0.275513 0.323731 O\n0.212788 0.605307 0.742666 O\n0.750132 0.950862 0.888383 O\n0.787212 0.394693 0.257334 O\n0.522901 0.724487 0.676269 O\n0.139851 0.854438 0.635766 O\n0.006573 0.185922 0.128918 O\n0.089337 0.918350 0.418627 O\n0.860149 0.145562 0.364234 O\n0.111551 0.187213 0.860716 O\n0.042395 0.336869 0.536058 O\n0.957605 0.663131 0.463942 O\n",
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"volume": 721.7668387294601,
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"formula_full": "Fe1 H44 C12 N10 O16",
"formula_reduced": "FeH44C12(N5O8)2",
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{
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"created_at": "2022-09-04T14:42:01.913343Z",
"structure_string": "Y2 H6\n1.0\n1.810465 -3.135817 0.000000\n1.810465 3.135817 0.000000\n0.000000 0.000000 6.126619\nY H\n2 6\ndirect\n0.666667 0.333333 0.750000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.333333 0.666667 0.597149 H\n0.666667 0.333333 0.097149 H\n0.666667 0.333333 0.402851 H\n0.333333 0.666667 0.902851 H\n",
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{
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"structure_string": "Ca2 H32 O20\n1.0\n6.353533 0.000000 0.000000\n0.258100 6.358876 0.000000\n1.084692 2.390179 11.621722\nCa H O\n2 32 20\ndirect\n0.037723 0.036090 0.516246 Ca\n0.991118 0.965666 0.985633 Ca\n0.291133 0.080924 0.713649 H\n0.368523 0.284115 0.611314 H\n0.644048 0.926081 0.662485 H\n0.656520 0.722853 0.600217 H\n0.074961 0.604338 0.618851 H\n0.322263 0.643160 0.600347 H\n0.956321 0.317993 0.664067 H\n0.723549 0.382585 0.610491 H\n0.299933 0.958442 0.147616 H\n0.342138 0.721050 0.112202 H\n0.714684 0.066618 0.198322 H\n0.670821 0.267655 0.096000 H\n0.042950 0.280396 0.141851 H\n0.283554 0.371725 0.112850 H\n0.834421 0.665563 0.190811 H\n0.693365 0.614080 0.094687 H\n0.593116 0.741859 0.401209 H\n0.725320 0.041433 0.360265 H\n0.240016 0.192107 0.291030 H\n0.427403 0.056093 0.355504 H\n0.726354 0.401000 0.406134 H\n0.969084 0.438278 0.376088 H\n0.149158 0.727734 0.290095 H\n0.261306 0.618140 0.398774 H\n0.742211 0.171268 0.792938 H\n0.571164 0.030814 0.874297 H\n0.412720 0.734751 0.914719 H\n0.297652 0.109390 0.863900 H\n0.736379 0.626209 0.888575 H\n0.881331 0.729514 0.779194 H\n0.272590 0.408913 0.913008 H\n0.039833 0.455339 0.879844 H\n0.538291 0.542181 0.564931 O\n0.478098 0.536266 0.063020 O\n0.534766 0.578963 0.437844 O\n0.478220 0.582973 0.935763 O\n0.264423 0.168497 0.633982 O\n0.744815 0.832648 0.627694 O\n0.177973 0.712285 0.619590 O\n0.822354 0.262196 0.648966 O\n0.232890 0.826490 0.139264 O\n0.772740 0.149960 0.119781 O\n0.192882 0.249143 0.155208 O\n0.836721 0.666291 0.108843 O\n0.641583 0.942929 0.330604 O\n0.286140 0.135831 0.370033 O\n0.861649 0.320969 0.390710 O\n0.118036 0.660854 0.372780 O\n0.708605 0.103280 0.874934 O\n0.316731 0.961529 0.851173 O\n0.886363 0.667770 0.861610 O\n0.145871 0.333886 0.899738 O\n",
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{
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{
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"structure_string": "Al4 Si2 O10\n1.0\n2.359029 4.748386 0.000000\n-2.359029 4.748386 0.000000\n0.000000 2.516320 6.209357\nAl Si O\n4 2 10\ndirect\n0.877094 0.856337 0.727054 Al\n0.143663 0.122906 0.772946 Al\n0.856337 0.877094 0.227054 Al\n0.122906 0.143663 0.272946 Al\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.311476 0.688524 0.250000 O\n0.688524 0.311476 0.750000 O\n0.906948 0.255660 0.047778 O\n0.744340 0.093052 0.452222 O\n0.093052 0.744340 0.952222 O\n0.255660 0.906948 0.547778 O\n0.537652 0.823166 0.854012 O\n0.176834 0.462348 0.645988 O\n0.462348 0.176834 0.145988 O\n0.823166 0.537652 0.354012 O\n",
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{
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{
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"structure_string": "Li24 Mn7 Cr5 O36\n1.0\n4.999039 0.000000 0.000000\n-0.787166 9.691661 0.000000\n-2.410976 -1.847772 12.916797\nLi Mn Cr O\n24 7 5 36\ndirect\n0.166887 0.999908 0.833275 Li\n0.054749 0.001108 0.615048 Li\n0.999435 0.749471 0.250343 Li\n0.333108 0.750216 0.917589 Li\n0.046522 0.498758 0.111660 Li\n0.379886 0.500838 0.777716 Li\n0.165833 0.500656 0.333669 Li\n0.502191 0.499992 0.000123 Li\n0.285440 0.499708 0.554407 Li\n0.331613 0.251191 0.417255 Li\n0.500769 0.999559 0.500038 Li\n0.280192 0.999929 0.052792 Li\n0.614300 0.998033 0.718044 Li\n0.381023 0.998372 0.279387 Li\n0.718605 0.001545 0.948548 Li\n0.663635 0.750314 0.584518 Li\n0.714012 0.499666 0.444213 Li\n0.830603 0.500147 0.666527 Li\n0.622459 0.502848 0.222694 Li\n0.953683 0.499581 0.889377 Li\n0.667788 0.249203 0.082117 Li\n0.831949 0.999952 0.166404 Li\n0.001479 0.249617 0.749243 Li\n0.952563 0.999761 0.385582 Li\n0.109690 0.249856 0.972702 Mn\n0.224591 0.751040 0.694328 Mn\n0.442563 0.248828 0.637800 Mn\n0.443857 0.749991 0.139094 Mn\n0.553621 0.748719 0.359759 Mn\n0.891737 0.251454 0.528270 Mn\n0.890869 0.750282 0.029056 Mn\n0.104472 0.750338 0.473261 Cr\n0.225012 0.247980 0.192606 Cr\n0.559750 0.250144 0.859127 Cr\n0.776522 0.749634 0.807905 Cr\n0.773930 0.251671 0.307466 Cr\n0.001416 0.862216 0.930615 O\n0.067644 0.635959 0.784005 O\n0.004437 0.363987 0.431450 O\n0.142620 0.361674 0.643578 O\n0.264819 0.364151 0.882682 O\n0.337513 0.863397 0.597464 O\n0.068957 0.135038 0.284002 O\n0.191234 0.138208 0.522890 O\n0.401417 0.135639 0.951464 O\n0.143023 0.861716 0.143454 O\n0.265007 0.864555 0.382143 O\n0.479599 0.861714 0.808935 O\n0.330734 0.137227 0.735502 O\n0.191340 0.638200 0.023931 O\n0.402805 0.636378 0.450548 O\n0.520041 0.636690 0.689025 O\n0.331091 0.638008 0.237359 O\n0.669009 0.637757 0.905758 O\n0.330848 0.360942 0.095953 O\n0.663167 0.361824 0.761503 O\n0.482512 0.362396 0.309710 O\n0.596652 0.363768 0.547597 O\n0.814422 0.363550 0.978239 O\n0.666295 0.861856 0.261397 O\n0.517411 0.137141 0.190297 O\n0.737126 0.136242 0.618348 O\n0.853567 0.138419 0.858021 O\n0.596370 0.863531 0.048268 O\n0.811196 0.861908 0.474206 O\n0.932156 0.864755 0.714681 O\n0.672469 0.138692 0.404649 O\n0.736627 0.635940 0.118863 O\n0.850671 0.636620 0.355070 O\n0.003689 0.639041 0.570866 O\n0.931921 0.364249 0.216571 O\n0.994861 0.136296 0.069016 O\n",
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"formula_full": "Li24 Mn7 Cr5 O36",
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{
"id": "mp-1196039",
"created_at": "2022-09-04T14:48:11.416639Z",
"structure_string": "Cu2 H20 S2 O18\n1.0\n5.970866 0.000000 0.000000\n1.772686 5.791969 0.000000\n1.440590 1.990493 10.555210\nCu H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.254340 0.100467 0.141869 H\n0.745660 0.899533 0.858131 H\n0.235848 0.282695 0.009387 H\n0.764152 0.717305 0.990613 H\n0.064647 0.702871 0.202792 H\n0.935353 0.297129 0.797208 H\n0.322628 0.667307 0.127292 H\n0.677372 0.332693 0.872708 H\n0.343062 0.683174 0.376607 H\n0.656938 0.316826 0.623393 H\n0.430655 0.394889 0.392729 H\n0.569345 0.605111 0.607271 H\n0.879631 0.196246 0.400853 H\n0.120369 0.803754 0.599147 H\n0.164386 0.139077 0.380780 H\n0.835614 0.860923 0.619220 H\n0.663187 0.395846 0.130512 H\n0.336813 0.604154 0.869488 H\n0.693798 0.594419 0.195233 H\n0.306202 0.405581 0.804767 H\n0.622876 0.991882 0.284951 S\n0.377124 0.008118 0.715049 S\n0.663926 0.108710 0.151780 O\n0.336074 0.891290 0.848220 O\n0.795392 0.756355 0.310225 O\n0.204608 0.243645 0.689775 O\n0.638129 0.140732 0.375355 O\n0.361871 0.859268 0.624645 O\n0.378507 0.958827 0.302315 O\n0.621493 0.041173 0.697685 O\n0.148424 0.188377 0.074507 O\n0.851576 0.811623 0.925493 O\n0.149710 0.706251 0.117903 O\n0.850290 0.293749 0.882097 O\n0.296495 0.534391 0.403891 O\n0.703505 0.465609 0.596109 O\n0.019223 0.241894 0.416861 O\n0.980777 0.758106 0.583139 O\n0.626080 0.569956 0.122795 O\n0.373920 0.430044 0.877205 O\n",
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{
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]
}