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{
"id": "mp-1247749",
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"structure_string": "Cs4 Sn4 Br12\n1.0\n8.224792 0.000000 0.000000\n0.000000 8.296014 0.000000\n0.000000 0.000000 11.843316\nCs Sn Br\n4 4 12\ndirect\n0.507868 0.467198 0.250000 Cs\n0.007868 0.032802 0.750000 Cs\n0.992132 0.967198 0.250000 Cs\n0.492132 0.532802 0.750000 Cs\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.548202 0.993468 0.750000 Br\n0.048202 0.506532 0.250000 Br\n0.794315 0.206008 0.025425 Br\n0.205685 0.793992 0.974575 Br\n0.294315 0.293992 0.974575 Br\n0.705685 0.706008 0.025425 Br\n0.294315 0.293992 0.525425 Br\n0.705685 0.706008 0.474575 Br\n0.205685 0.793992 0.525425 Br\n0.794315 0.206008 0.474575 Br\n0.951798 0.493468 0.750000 Br\n0.451798 0.006532 0.250000 Br\n",
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{
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"structure_string": "As4 H40 C12 I4\n1.0\n6.633578 0.000000 0.000000\n0.000000 8.794416 0.000000\n0.000000 0.000000 14.545309\nAs H C I\n4 40 12 4\ndirect\n0.052795 0.750000 0.098938 As\n0.447205 0.750000 0.598938 As\n0.947205 0.250000 0.901062 As\n0.552795 0.250000 0.401062 As\n0.103216 0.750000 0.997634 H\n0.396784 0.750000 0.497634 H\n0.896784 0.250000 0.002366 H\n0.603216 0.250000 0.502366 H\n0.869217 0.580300 0.204455 H\n0.630783 0.919700 0.704455 H\n0.130783 0.080300 0.795545 H\n0.369217 0.419700 0.295545 H\n0.130783 0.419700 0.795545 H\n0.369217 0.080300 0.295545 H\n0.869217 0.919700 0.204455 H\n0.630783 0.580300 0.704455 H\n0.003309 0.471322 0.118959 H\n0.496691 0.028678 0.618959 H\n0.996691 0.971322 0.881041 H\n0.503309 0.528678 0.381041 H\n0.996691 0.528678 0.881041 H\n0.503309 0.971322 0.381041 H\n0.003309 0.028678 0.118959 H\n0.496691 0.471322 0.618959 H\n0.767639 0.563474 0.088814 H\n0.732361 0.936526 0.588814 H\n0.232361 0.063474 0.911186 H\n0.267639 0.436526 0.411186 H\n0.232361 0.436526 0.911186 H\n0.267639 0.063474 0.411186 H\n0.767639 0.936526 0.088814 H\n0.732361 0.563474 0.588814 H\n0.385755 0.852973 0.148635 H\n0.114245 0.647027 0.648635 H\n0.614245 0.352973 0.851365 H\n0.885755 0.147027 0.351365 H\n0.614245 0.147027 0.851365 H\n0.885755 0.352973 0.351365 H\n0.385755 0.647027 0.148635 H\n0.114245 0.852973 0.648635 H\n0.259435 0.750000 0.240094 H\n0.240565 0.750000 0.740094 H\n0.740565 0.250000 0.759906 H\n0.759435 0.250000 0.259906 H\n0.904488 0.569397 0.130816 C\n0.595512 0.930603 0.630816 C\n0.095512 0.069397 0.869184 C\n0.404488 0.430603 0.369184 C\n0.095512 0.430603 0.869184 C\n0.404488 0.069397 0.369184 C\n0.904488 0.930603 0.130816 C\n0.595512 0.569397 0.630816 C\n0.301657 0.750000 0.167170 C\n0.198343 0.750000 0.667170 C\n0.698343 0.250000 0.832830 C\n0.801657 0.250000 0.332830 C\n0.884367 0.750000 0.399332 I\n0.615633 0.750000 0.899332 I\n0.115633 0.250000 0.600668 I\n0.384367 0.250000 0.100668 I\n",
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{
"id": "mp-774042",
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"structure_string": "Li8 Mn5 Fe3 B8 O24\n1.0\n5.235968 0.000000 0.000000\n-2.616124 4.550466 0.000000\n-0.339867 -0.494062 20.940721\nLi Mn Fe B O\n8 5 3 8 24\ndirect\n0.678412 0.650779 0.333390 Li\n0.652580 0.677567 0.083806 Li\n0.677214 0.652042 0.834324 Li\n0.651510 0.678959 0.584117 Li\n0.351112 0.337735 0.208084 Li\n0.337622 0.348043 0.458675 Li\n0.346499 0.337177 0.708438 Li\n0.337004 0.346250 0.958678 Li\n0.670695 0.002971 0.441417 Mn\n0.671868 0.006558 0.941929 Mn\n0.322724 0.002921 0.566753 Mn\n0.002784 0.325520 0.315944 Mn\n0.003057 0.668173 0.692667 Mn\n0.315581 0.998033 0.067218 Fe\n0.005849 0.319278 0.816526 Fe\n0.002727 0.667458 0.190868 Fe\n0.996686 0.337582 0.063641 B\n0.997805 0.341526 0.563016 B\n0.667461 0.008197 0.186899 B\n0.666158 0.004214 0.688679 B\n0.340027 0.996319 0.311853 B\n0.339057 0.996746 0.813303 B\n0.004016 0.665898 0.437843 B\n0.005130 0.667450 0.937905 B\n0.931651 0.257718 0.206760 O\n0.929423 0.245937 0.709638 O\n0.741334 0.072574 0.049443 O\n0.978670 0.584425 0.082582 O\n0.746720 0.070502 0.547898 O\n0.966820 0.578708 0.583851 O\n0.418209 0.031178 0.172852 O\n0.730813 0.641436 0.430424 O\n0.421877 0.036415 0.673369 O\n0.730849 0.643210 0.930778 O\n0.655624 0.739887 0.180773 O\n0.642095 0.730266 0.681035 O\n0.368797 0.271874 0.305037 O\n0.359238 0.270194 0.806506 O\n0.270574 0.358186 0.057072 O\n0.578217 0.967086 0.332834 O\n0.272666 0.371087 0.555751 O\n0.585071 0.978192 0.832125 O\n0.037699 0.422901 0.422395 O\n0.037532 0.423822 0.922373 O\n0.247136 0.929837 0.459056 O\n0.247475 0.929936 0.959272 O\n0.068897 0.746612 0.296637 O\n0.070233 0.741822 0.799372 O\n",
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"formula_full": "Li8 Mn5 Fe3 B8 O24",
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{
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"created_at": "2022-09-04T14:46:35.158614Z",
"structure_string": "Th2 Nb8 O24\n1.0\n5.556106 0.000000 0.000000\n0.000000 5.616163 0.000000\n0.000000 0.000000 15.812449\nTh Nb O\n2 8 24\ndirect\n0.761187 0.500000 0.000000 Th\n0.238813 0.000000 0.500000 Th\n0.262160 0.500000 0.868922 Nb\n0.238804 0.500000 0.371942 Nb\n0.238804 0.500000 0.628058 Nb\n0.262160 0.500000 0.131078 Nb\n0.737840 0.000000 0.631078 Nb\n0.761196 0.000000 0.128058 Nb\n0.761196 0.000000 0.871942 Nb\n0.737840 0.000000 0.368922 Nb\n0.990971 0.741840 0.867688 O\n0.513268 0.733672 0.901243 O\n0.009029 0.758160 0.632312 O\n0.486732 0.766328 0.598757 O\n0.009029 0.758160 0.367688 O\n0.486732 0.766328 0.401243 O\n0.990971 0.741840 0.132312 O\n0.513268 0.733672 0.098757 O\n0.318314 0.500000 0.749696 O\n0.318314 0.500000 0.250304 O\n0.167097 0.500000 0.000000 O\n0.194615 0.500000 0.500000 O\n0.486732 0.233672 0.401243 O\n0.513268 0.266328 0.901243 O\n0.513268 0.266328 0.098757 O\n0.009029 0.241840 0.367688 O\n0.486732 0.233672 0.598757 O\n0.990971 0.258160 0.132312 O\n0.990971 0.258160 0.867688 O\n0.009029 0.241840 0.632312 O\n0.805385 0.000000 0.000000 O\n0.681686 0.000000 0.750304 O\n0.832903 0.000000 0.500000 O\n0.681686 0.000000 0.249696 O\n",
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{
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"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.101228 0.000000 0.000000\n0.000000 6.381028 0.000000\n0.000000 0.000000 10.844510\nLi Fe Si O\n4 4 4 16\ndirect\n0.173451 0.710216 0.171410 Li\n0.326549 0.710216 0.671410 Li\n0.673451 0.210216 0.328590 Li\n0.826549 0.210216 0.828590 Li\n0.175790 0.961471 0.415374 Fe\n0.324210 0.961471 0.915374 Fe\n0.675790 0.461471 0.084626 Fe\n0.824210 0.461471 0.584626 Fe\n0.171607 0.207769 0.164881 Si\n0.328393 0.207769 0.664881 Si\n0.671607 0.707769 0.335119 Si\n0.828393 0.707769 0.835119 Si\n0.148767 0.737307 0.836146 O\n0.219647 0.179568 0.807328 O\n0.190545 0.422430 0.609105 O\n0.243657 0.995650 0.084027 O\n0.256343 0.995650 0.584027 O\n0.309455 0.422430 0.109105 O\n0.280353 0.179568 0.307328 O\n0.351233 0.737307 0.336146 O\n0.648767 0.237307 0.663854 O\n0.719647 0.679568 0.692672 O\n0.690545 0.922430 0.890895 O\n0.743657 0.495650 0.415973 O\n0.756343 0.495650 0.915973 O\n0.809455 0.922430 0.390895 O\n0.780353 0.679568 0.192672 O\n0.851233 0.237307 0.163854 O\n",
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{
"id": "mp-1203611",
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"structure_string": "Ga4 Cu6 Se12 O36\n1.0\n0.003687 0.000000 -7.689968\n0.000000 -8.323411 0.000000\n-12.421960 0.000000 1.281902\nGa Cu Se O\n4 6 12 36\ndirect\n0.635376 0.994075 0.826857 Ga\n0.864624 0.494075 0.173143 Ga\n0.364624 0.005925 0.173143 Ga\n0.135376 0.505925 0.826857 Ga\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.371325 0.122939 0.620109 Cu\n0.128675 0.622939 0.379891 Cu\n0.628675 0.877061 0.379891 Cu\n0.871325 0.377061 0.620109 Cu\n0.552988 0.402551 0.785404 Se\n0.947012 0.902551 0.214596 Se\n0.447012 0.597449 0.214596 Se\n0.052988 0.097449 0.785404 Se\n0.311664 0.187595 0.391925 Se\n0.188336 0.687595 0.608075 Se\n0.688336 0.812405 0.608075 Se\n0.811664 0.312405 0.391925 Se\n0.637240 0.197301 0.044159 Se\n0.862760 0.697301 0.955841 Se\n0.362760 0.802699 0.955841 Se\n0.137240 0.302699 0.044159 Se\n0.349374 0.484598 0.746755 O\n0.150626 0.984598 0.253245 O\n0.650626 0.515402 0.253245 O\n0.849374 0.015402 0.746755 O\n0.653246 0.468116 0.676187 O\n0.846754 0.968116 0.323813 O\n0.346754 0.531884 0.323813 O\n0.153246 0.031884 0.676187 O\n0.512391 0.197942 0.749920 O\n0.987609 0.697942 0.250080 O\n0.487609 0.802058 0.250080 O\n0.012391 0.302058 0.749920 O\n0.456822 0.265962 0.500754 O\n0.043178 0.765962 0.499246 O\n0.543178 0.734038 0.499246 O\n0.956822 0.234038 0.500754 O\n0.465145 0.093797 0.322225 O\n0.034855 0.593797 0.677775 O\n0.534855 0.906203 0.677775 O\n0.965145 0.406203 0.322225 O\n0.255203 0.036265 0.483781 O\n0.244797 0.536265 0.516219 O\n0.744797 0.963735 0.516219 O\n0.755203 0.463735 0.483781 O\n0.757739 0.109924 0.947359 O\n0.742261 0.609924 0.052641 O\n0.242261 0.890076 0.052641 O\n0.257739 0.390076 0.947359 O\n0.588645 0.024628 0.113391 O\n0.911355 0.524628 0.886609 O\n0.411355 0.975372 0.886609 O\n0.088645 0.475372 0.113391 O\n0.809308 0.266697 0.132699 O\n0.690692 0.766697 0.867301 O\n0.190692 0.733303 0.867301 O\n0.309308 0.233303 0.132699 O\n",
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{
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"structure_string": "Zn4 Ga8 S16\n1.0\n5.992700 0.000000 0.000000\n0.000000 7.331331 0.000000\n0.000000 0.000000 12.495050\nZn Ga S\n4 8 16\ndirect\n0.004622 0.750000 0.266757 Zn\n0.495378 0.750000 0.766757 Zn\n0.995378 0.250000 0.733243 Zn\n0.504622 0.250000 0.233243 Zn\n0.583512 0.750000 0.086174 Ga\n0.916488 0.750000 0.586174 Ga\n0.416488 0.250000 0.913826 Ga\n0.083512 0.250000 0.413826 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.206337 0.750000 0.089971 S\n0.293663 0.750000 0.589971 S\n0.793663 0.250000 0.910029 S\n0.706337 0.250000 0.410029 S\n0.738285 0.750000 0.422236 S\n0.761715 0.750000 0.922236 S\n0.261715 0.250000 0.577764 S\n0.238285 0.250000 0.077764 S\n0.759170 0.504322 0.162058 S\n0.740830 0.995678 0.662058 S\n0.240830 0.004322 0.837942 S\n0.259170 0.495678 0.337942 S\n0.240830 0.495678 0.837942 S\n0.259170 0.004322 0.337942 S\n0.759170 0.995678 0.162058 S\n0.740830 0.504322 0.662058 S\n",
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{
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