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{
"id": "mp-1196636",
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"structure_string": "Ba4 Zn2 P12 O56\n1.0\n3.746669 13.295896 0.000000\n-3.746669 13.295896 0.000000\n0.000000 3.012418 13.581499\nBa Zn P O\n4 2 12 56\ndirect\n0.103901 0.467367 0.280383 Ba\n0.532633 0.896099 0.219617 Ba\n0.896099 0.532633 0.719617 Ba\n0.467367 0.103901 0.780383 Ba\n0.176219 0.823781 0.250000 Zn\n0.823781 0.176219 0.750000 Zn\n0.994734 0.364292 0.160267 P\n0.635708 0.005266 0.339733 P\n0.005266 0.635708 0.839733 P\n0.364292 0.994734 0.660267 P\n0.959074 0.829454 0.379189 P\n0.170546 0.040926 0.120811 P\n0.040926 0.170546 0.620811 P\n0.829454 0.959074 0.879189 P\n0.028925 0.305172 0.954588 P\n0.694828 0.971075 0.545412 P\n0.971075 0.694828 0.045412 P\n0.305172 0.028925 0.454588 P\n0.099429 0.135547 0.012030 O\n0.864453 0.900571 0.487970 O\n0.900571 0.864453 0.987970 O\n0.135547 0.099429 0.512030 O\n0.942863 0.423556 0.046845 O\n0.576444 0.057137 0.453155 O\n0.057137 0.576444 0.953155 O\n0.423556 0.942863 0.546845 O\n0.026444 0.217124 0.186513 O\n0.782876 0.973556 0.313487 O\n0.973556 0.782876 0.813487 O\n0.217124 0.026444 0.686513 O\n0.829726 0.527595 0.221249 O\n0.472405 0.170274 0.278751 O\n0.170274 0.472405 0.778751 O\n0.527595 0.829726 0.721249 O\n0.174827 0.263100 0.167881 O\n0.736900 0.825173 0.332119 O\n0.825173 0.736900 0.832119 O\n0.263100 0.174827 0.667881 O\n0.098799 0.633976 0.367948 O\n0.366024 0.901201 0.132052 O\n0.901201 0.366024 0.632052 O\n0.633976 0.098799 0.867948 O\n0.025079 0.881868 0.352261 O\n0.118132 0.974921 0.147739 O\n0.974921 0.118132 0.647739 O\n0.881868 0.025079 0.852261 O\n0.128595 0.576165 0.105929 O\n0.423835 0.871405 0.394071 O\n0.871405 0.423835 0.894071 O\n0.576165 0.128595 0.605929 O\n0.808600 0.773210 0.097373 O\n0.226790 0.191400 0.402627 O\n0.191400 0.226790 0.902627 O\n0.773210 0.808600 0.597373 O\n0.930523 0.534860 0.495003 O\n0.465140 0.069477 0.004997 O\n0.069477 0.465140 0.504997 O\n0.534860 0.930523 0.995003 O\n0.476777 0.465840 0.351866 O\n0.534160 0.523223 0.148134 O\n0.523223 0.534160 0.648134 O\n0.465840 0.476777 0.851866 O\n0.529583 0.594148 0.378524 O\n0.405852 0.470417 0.121476 O\n0.470417 0.405852 0.621476 O\n0.594148 0.529583 0.878524 O\n0.281277 0.631427 0.140821 O\n0.368573 0.718723 0.359179 O\n0.718723 0.368573 0.859179 O\n0.631427 0.281277 0.640821 O\n0.625382 0.378054 0.124334 O\n0.621946 0.374618 0.375666 O\n0.374618 0.621946 0.875666 O\n0.378054 0.625382 0.624334 O\n",
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"formula_full": "Ba4 Zn2 P12 O56",
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{
"id": "mp-1180598",
"created_at": "2022-09-04T14:42:14.713873Z",
"structure_string": "Mg4 Te4 Br24 O24\n1.0\n10.983467 0.000000 0.000000\n-0.231066 11.054601 0.000000\n-0.040660 -0.174493 11.144681\nMg Te Br O\n4 4 24 24\ndirect\n0.000139 0.000759 0.501893 Mg\n0.995222 0.497603 0.999436 Mg\n0.495589 0.992551 0.985711 Mg\n0.500036 0.498361 0.499190 Mg\n0.490852 0.505666 0.986025 Te\n0.503812 0.999657 0.503958 Te\n0.999265 0.497564 0.497315 Te\n0.995703 0.001405 0.997824 Te\n0.525701 0.731140 0.147202 Br\n0.474365 0.219532 0.353410 Br\n0.974619 0.274359 0.650113 Br\n0.024775 0.773723 0.855442 Br\n0.142764 0.532799 0.725590 Br\n0.356964 0.466299 0.223859 Br\n0.664424 0.947640 0.306873 Br\n0.843142 0.028115 0.772680 Br\n0.728699 0.156868 0.536205 Br\n0.221561 0.353228 0.461412 Br\n0.267903 0.651904 0.973140 Br\n0.770109 0.851326 0.030501 Br\n0.410510 0.343757 0.841520 Br\n0.529842 0.774622 0.644508 Br\n0.029392 0.725519 0.351314 Br\n0.963868 0.225409 0.140215 Br\n0.846060 0.467822 0.267764 Br\n0.654813 0.534449 0.770918 Br\n0.359755 0.048759 0.722275 Br\n0.144701 0.974618 0.229257 Br\n0.272006 0.855079 0.471404 Br\n0.779519 0.645766 0.530214 Br\n0.712139 0.334136 0.013862 Br\n0.228639 0.144120 0.974825 Br\n0.436215 0.653498 0.593744 O\n0.625331 0.109414 0.918473 O\n0.059219 0.343830 0.090252 O\n0.937310 0.842438 0.404997 O\n0.594102 0.439662 0.657213 O\n0.899648 0.560500 0.151688 O\n0.090405 0.065774 0.347258 O\n0.396665 0.943712 0.833697 O\n0.657253 0.593394 0.440397 O\n0.153730 0.906764 0.563208 O\n0.355192 0.096085 0.057329 O\n0.835877 0.396714 0.936209 O\n0.564564 0.342176 0.406475 O\n0.442507 0.855731 0.095732 O\n0.933570 0.653297 0.907538 O\n0.065620 0.157178 0.596437 O\n0.410586 0.559823 0.342722 O\n0.088912 0.441196 0.841651 O\n0.906734 0.939970 0.657210 O\n0.648492 0.053847 0.195153 O\n0.340835 0.403738 0.555944 O\n0.843239 0.096925 0.445163 O\n0.655081 0.897175 0.931825 O\n0.152027 0.592603 0.063837 O\n",
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"spacegroup": 1
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{
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"created_at": "2022-09-04T14:39:47.628295Z",
"structure_string": "K8 U4 I20\n1.0\n9.308618 0.000000 0.000000\n0.000000 9.872965 0.000000\n0.000000 0.000000 14.724481\nK U I\n8 4 20\ndirect\n0.563367 0.005218 0.328350 K\n0.936633 0.005218 0.828350 K\n0.436633 0.994782 0.671650 K\n0.063367 0.994782 0.171650 K\n0.063367 0.505218 0.171650 K\n0.436633 0.505218 0.671650 K\n0.563367 0.494782 0.328350 K\n0.936633 0.494782 0.828350 K\n0.574510 0.750000 0.003628 U\n0.074510 0.250000 0.496372 U\n0.425490 0.250000 0.996372 U\n0.925490 0.750000 0.503628 U\n0.167049 0.955783 0.426017 I\n0.158812 0.250000 0.705461 I\n0.841188 0.750000 0.294539 I\n0.832951 0.044217 0.573983 I\n0.667049 0.455783 0.073983 I\n0.572590 0.750000 0.505655 I\n0.667049 0.044217 0.073983 I\n0.927410 0.750000 0.005655 I\n0.879614 0.250000 0.317737 I\n0.167049 0.544217 0.426017 I\n0.379614 0.750000 0.182263 I\n0.341188 0.250000 0.205461 I\n0.332951 0.955783 0.926017 I\n0.427410 0.250000 0.494345 I\n0.120386 0.750000 0.682263 I\n0.332951 0.544217 0.926017 I\n0.620386 0.250000 0.817737 I\n0.658812 0.750000 0.794539 I\n0.832951 0.455783 0.573983 I\n0.072590 0.250000 0.994345 I\n",
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{
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"created_at": "2022-09-04T14:48:21.740242Z",
"structure_string": "Sr22 Nb10 O47\n1.0\n6.007927 0.000000 0.000000\n-2.768098 5.661357 0.000000\n-2.166484 -2.288097 39.786398\nSr Nb O\n22 10 47\ndirect\n0.555396 0.347000 0.028006 Sr\n0.443921 0.811795 0.058024 Sr\n0.383705 0.909240 0.157099 Sr\n0.227852 0.345044 0.193762 Sr\n0.204342 0.477623 0.304240 Sr\n0.078025 0.180776 0.092799 Sr\n0.834524 0.901080 0.406935 Sr\n0.928666 0.880204 0.318790 Sr\n0.823514 0.753070 0.229900 Sr\n0.559967 0.272800 0.447503 Sr\n0.529582 0.218224 0.361449 Sr\n0.743976 0.411853 0.541448 Sr\n0.257458 0.607483 0.473695 Sr\n0.387067 0.889196 0.649665 Sr\n0.073236 0.166570 0.600884 Sr\n0.202801 0.484014 0.798969 Sr\n0.905567 0.882202 0.818956 Sr\n0.957529 0.714068 0.715391 Sr\n0.920822 0.977241 0.909007 Sr\n0.725623 0.448979 0.949941 Sr\n0.563930 0.233514 0.859901 Sr\n0.340444 0.742791 0.964172 Sr\n0.929550 0.048515 0.006199 Nb\n0.666694 0.581797 0.131404 Nb\n0.430006 0.082609 0.258852 Nb\n0.174487 0.550060 0.384249 Nb\n0.892076 0.934136 0.497939 Nb\n0.715233 0.587807 0.629288 Nb\n0.479688 0.785171 0.563977 Nb\n0.498157 0.118471 0.760491 Nb\n0.360831 0.359783 0.694989 Nb\n0.223534 0.574868 0.879305 Nb\n0.805611 0.163808 0.049142 O\n0.168439 0.363505 0.996210 O\n0.170493 0.005090 0.042206 O\n0.634098 0.731793 0.012396 O\n0.510211 0.491114 0.086250 O\n0.589112 0.676818 0.177670 O\n0.716274 0.902781 0.121812 O\n0.980849 0.574590 0.137175 O\n0.392745 0.271351 0.143467 O\n0.254078 0.991392 0.211120 O\n0.478493 0.405103 0.246119 O\n0.377964 0.179510 0.302239 O\n0.738875 0.060211 0.260694 O\n0.105035 0.221282 0.355614 O\n0.156659 0.771316 0.268604 O\n0.925228 0.560658 0.347661 O\n0.218317 0.835944 0.410500 O\n0.454334 0.751397 0.351697 O\n0.440196 0.509380 0.411317 O\n0.875852 0.629414 0.481794 O\n0.887683 0.326832 0.409425 O\n0.669712 0.966569 0.465902 O\n0.905166 0.108476 0.539166 O\n0.197550 0.154412 0.481404 O\n0.516368 0.079930 0.581011 O\n0.167347 0.677335 0.542169 O\n0.890854 0.415118 0.627500 O\n0.570601 0.677847 0.521646 O\n0.380704 0.597660 0.604809 O\n0.582960 0.667920 0.680146 O\n0.791539 0.723980 0.584716 O\n0.970126 0.873760 0.648989 O\n0.078450 0.390375 0.701740 O\n0.415895 0.281861 0.647946 O\n0.352818 0.046110 0.708656 O\n0.449907 0.261664 0.798919 O\n0.568278 0.442455 0.738952 O\n0.793973 0.100450 0.771936 O\n0.152661 0.236458 0.855688 O\n0.221300 0.821578 0.767580 O\n0.974830 0.570991 0.841660 O\n0.253873 0.863304 0.902529 O\n0.506195 0.759274 0.847848 O\n0.477857 0.560330 0.913166 O\n0.995861 0.874189 0.967982 O\n0.662013 0.120855 0.981039 O\n0.923255 0.365526 0.905635 O\n",
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{
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{
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