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{
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{
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{
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"structure_string": "Na2 U1 I6\n1.0\n7.739345 -3.956346 0.000000\n7.739345 3.956346 0.000000\n5.716865 0.000000 6.547335\nNa U I\n2 1 6\ndirect\n0.329227 0.329227 0.329227 Na\n0.670773 0.670773 0.670773 Na\n0.000000 0.000000 0.000000 U\n0.234228 0.613911 0.911044 I\n0.613911 0.911044 0.234228 I\n0.911044 0.234228 0.613911 I\n0.765772 0.386089 0.088956 I\n0.386089 0.088956 0.765772 I\n0.088956 0.765772 0.386089 I\n",
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"formula_full": "Na2 U1 I6",
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{
"id": "mp-1104819",
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"structure_string": "Pb2 C2 S2 Br4 N4\n1.0\n0.649282 0.000000 -4.363240\n5.520516 0.000000 1.345597\n0.000000 -17.985367 0.000000\nPb C S Br N\n2 2 2 4 4\ndirect\n0.086506 0.896624 0.484669 Pb\n0.913494 0.103376 0.984669 Pb\n0.457466 0.558176 0.695910 C\n0.542534 0.441824 0.195910 C\n0.837590 0.974463 0.681776 S\n0.162410 0.025537 0.181776 S\n0.592622 0.873670 0.380904 Br\n0.407378 0.126330 0.880904 Br\n0.924779 0.398310 0.513184 Br\n0.075221 0.601690 0.013184 Br\n0.288161 0.380992 0.696200 N\n0.711839 0.619008 0.196200 N\n0.635292 0.743602 0.697357 N\n0.364708 0.256398 0.197357 N\n",
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"formula_full": "Pb2 C2 S2 Br4 N4",
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{
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"structure_string": "Te2 C4 S4 I4 N8\n1.0\n8.396439 0.000000 0.000000\n3.384577 8.835878 0.000000\n3.839509 2.049714 9.654421\nTe C S I N\n2 4 4 4 8\ndirect\n0.123136 0.213895 0.750127 Te\n0.890989 0.780418 0.220947 Te\n0.488060 0.298779 0.426374 C\n0.235982 0.232353 0.035598 C\n0.497073 0.760524 0.522085 C\n0.780185 0.832683 0.838524 C\n0.451397 0.179241 0.605676 S\n0.280201 0.341022 0.886238 S\n0.483971 0.895351 0.388048 S\n0.841843 0.552865 0.249870 S\n0.989361 0.167543 0.566044 I\n0.793619 0.315329 0.957326 I\n0.922927 0.779428 0.484369 I\n0.260838 0.712716 0.077112 I\n0.634595 0.232888 0.342285 N\n0.247775 0.173353 0.170513 N\n0.426983 0.690508 0.657792 N\n0.813236 0.734360 0.770030 N\n0.369026 0.431781 0.415579 N\n0.157243 0.118290 0.129158 N\n0.591859 0.625715 0.594231 N\n0.746607 0.921454 0.913624 N\n",
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{
"id": "mp-1184557",
"created_at": "2022-09-04T14:39:46.718802Z",
"structure_string": "Ge1 Pd1 O3\n1.0\n3.767674 0.000000 0.000000\n0.000000 3.767674 0.000000\n0.000000 0.000000 3.767674\nGe Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1227918",
"created_at": "2022-09-04T14:39:46.719685Z",
"structure_string": "Ca6 Eu12 B12 O42\n1.0\n-4.446144 -7.700948 0.000000\n4.446144 -7.700948 0.000000\n4.446144 2.566983 12.735779\nCa Eu B O\n6 12 12 42\ndirect\n0.607897 0.842757 0.416341 Ca\n0.259097 0.549347 0.416341 Ca\n0.965687 0.191556 0.416341 Ca\n0.607897 0.049347 0.916341 Ca\n0.965687 0.342757 0.916341 Ca\n0.259097 0.691556 0.916341 Ca\n0.782547 0.967765 0.255058 Eu\n0.222823 0.249688 0.255058 Eu\n0.504745 0.527490 0.255058 Eu\n0.782547 0.749688 0.755058 Eu\n0.504745 0.467765 0.755058 Eu\n0.222823 0.027490 0.755058 Eu\n0.389275 0.151985 0.580247 Eu\n0.732232 0.458741 0.580247 Eu\n0.038988 0.809027 0.580247 Eu\n0.389275 0.958741 0.080247 Eu\n0.038988 0.651985 0.080247 Eu\n0.732232 0.309027 0.080247 Eu\n0.235568 0.882216 0.353353 B\n0.235568 0.382216 0.853353 B\n0.764464 0.117768 0.646696 B\n0.764464 0.617768 0.146696 B\n0.621105 0.189448 0.431657 B\n0.621105 0.689448 0.931657 B\n0.378957 0.810522 0.568435 B\n0.378957 0.310522 0.068435 B\n0.074055 0.962972 0.111083 B\n0.074055 0.462972 0.611083 B\n0.927485 0.036258 0.891227 B\n0.927485 0.536258 0.391227 B\n0.746471 0.251685 0.246070 O\n0.497755 0.001844 0.246070 O\n0.247915 0.500400 0.246070 O\n0.746471 0.501844 0.746070 O\n0.247915 0.751685 0.746070 O\n0.497755 0.000400 0.746070 O\n0.225126 0.041650 0.357225 O\n0.398875 0.733224 0.357225 O\n0.090450 0.867900 0.357225 O\n0.225126 0.233224 0.857225 O\n0.090450 0.541650 0.857225 O\n0.398875 0.367900 0.857225 O\n0.774309 0.958449 0.642271 O\n0.600720 0.267242 0.642271 O\n0.909514 0.132038 0.642271 O\n0.774309 0.767242 0.142271 O\n0.909514 0.458449 0.142271 O\n0.600720 0.632038 0.142271 O\n0.081752 0.114739 0.108894 O\n0.223634 0.803508 0.108894 O\n0.912403 0.972858 0.108894 O\n0.081752 0.303508 0.608894 O\n0.912403 0.614739 0.608894 O\n0.223634 0.472858 0.608894 O\n0.917270 0.885416 0.893425 O\n0.778841 0.197314 0.893425 O\n0.090739 0.023845 0.893425 O\n0.917270 0.697314 0.393425 O\n0.090739 0.385416 0.393425 O\n0.778841 0.523845 0.393425 O\n0.609430 0.350507 0.430760 O\n0.781268 0.040063 0.430760 O\n0.470823 0.178670 0.430760 O\n0.609430 0.540063 0.930760 O\n0.470823 0.850507 0.930760 O\n0.781268 0.678670 0.930760 O\n0.387621 0.650370 0.568891 O\n0.219261 0.962009 0.568891 O\n0.530900 0.818730 0.568891 O\n0.387621 0.462009 0.068891 O\n0.530900 0.150370 0.068891 O\n0.219261 0.318730 0.068891 O\n",
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{
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{
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{
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{
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{
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"structure_string": "K4 Te4 I4 O36\n1.0\n7.035861 0.000000 0.000000\n0.000000 8.971768 0.000000\n0.000000 0.000000 12.739308\nK Te I O\n4 4 4 36\ndirect\n0.721639 0.297105 0.920037 K\n0.221639 0.702895 0.079963 K\n0.221639 0.202895 0.420037 K\n0.721639 0.797105 0.579963 K\n0.787223 0.286728 0.582400 Te\n0.287223 0.713272 0.417600 Te\n0.287223 0.213272 0.082400 Te\n0.787223 0.786728 0.917600 Te\n0.217700 0.345894 0.752693 I\n0.717700 0.654106 0.247307 I\n0.717700 0.154106 0.252693 I\n0.217700 0.845894 0.747307 I\n0.710816 0.102220 0.513569 O\n0.210816 0.897780 0.486431 O\n0.210816 0.397780 0.013569 O\n0.710816 0.602220 0.986431 O\n0.805738 0.480596 0.654840 O\n0.305738 0.519404 0.345160 O\n0.305738 0.019404 0.154840 O\n0.805738 0.980596 0.845160 O\n0.636688 0.225098 0.702855 O\n0.136688 0.774902 0.297145 O\n0.136688 0.274902 0.202855 O\n0.636688 0.725098 0.797145 O\n0.892387 0.385605 0.460862 O\n0.392387 0.614395 0.539138 O\n0.392387 0.114395 0.960862 O\n0.892387 0.885605 0.039138 O\n0.516406 0.318239 0.548174 O\n0.016406 0.681761 0.451826 O\n0.016406 0.181761 0.048174 O\n0.516406 0.818239 0.951826 O\n0.038804 0.226853 0.618724 O\n0.538804 0.773147 0.381276 O\n0.538804 0.273147 0.118724 O\n0.038804 0.726853 0.881276 O\n0.203454 0.160124 0.815127 O\n0.703454 0.839876 0.184873 O\n0.703454 0.339876 0.315127 O\n0.203454 0.660124 0.684873 O\n0.358973 0.434505 0.860600 O\n0.858973 0.565495 0.139400 O\n0.858973 0.065495 0.360600 O\n0.358973 0.934505 0.639400 O\n0.984073 0.423705 0.791645 O\n0.484073 0.576295 0.208355 O\n0.484073 0.076295 0.291645 O\n0.984073 0.923705 0.708355 O\n",
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}