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{
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{
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{
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"structure_string": "Sr5 Fe1 Mo4 O15\n1.0\n2.881064 8.601403 0.000000\n-2.881064 8.601403 0.000000\n0.000000 1.906247 6.740726\nSr Fe Mo O\n5 1 4 15\ndirect\n0.808203 0.808203 0.285151 Sr\n0.594188 0.594188 0.091541 Sr\n0.191797 0.191797 0.714849 Sr\n0.405812 0.405812 0.908459 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Fe\n0.599552 0.599552 0.599566 Mo\n0.198566 0.198566 0.201822 Mo\n0.801434 0.801434 0.798178 Mo\n0.400448 0.400448 0.400434 Mo\n0.198778 0.701863 0.203275 O\n0.000000 0.500000 0.000000 O\n0.604713 0.097585 0.601053 O\n0.801222 0.298137 0.796725 O\n0.395287 0.902415 0.398947 O\n0.303277 0.303277 0.303626 O\n0.098153 0.098153 0.095928 O\n0.696723 0.696723 0.696374 O\n0.901847 0.901847 0.904072 O\n0.500000 0.500000 0.500000 O\n0.097585 0.604713 0.601053 O\n0.902415 0.395287 0.398947 O\n0.500000 0.000000 0.000000 O\n0.701863 0.198778 0.203275 O\n0.298137 0.801222 0.796725 O\n",
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{
"id": "mp-1213587",
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"structure_string": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58\n1.0\n7.142158 7.824797 0.000000\n-7.142158 7.824797 0.000000\n0.000000 6.048685 13.214019\nK Ba Na Ti Mn Si W O\n4 2 4 8 1 16 8 58\ndirect\n0.410209 0.410209 0.182328 K\n0.589791 0.589791 0.817672 K\n0.912590 0.912590 0.692761 K\n0.087410 0.087410 0.307239 K\n0.603983 0.603983 0.329762 Ba\n0.396017 0.396017 0.670238 Ba\n0.478017 0.971086 0.385294 Na\n0.521983 0.028914 0.614706 Na\n0.028914 0.521983 0.614706 Na\n0.971086 0.478017 0.385294 Na\n0.727215 0.272785 0.500000 Ti\n0.272785 0.727215 0.500000 Ti\n0.765420 0.234580 0.000000 Ti\n0.234580 0.765420 0.000000 Ti\n0.737764 0.264235 0.257179 Ti\n0.262236 0.735765 0.742821 Ti\n0.735765 0.262236 0.742821 Ti\n0.264235 0.737764 0.257179 Ti\n0.000000 0.000000 0.000000 Mn\n0.263107 0.043296 0.061115 Si\n0.736893 0.956704 0.938885 Si\n0.956704 0.736893 0.938885 Si\n0.043296 0.263107 0.061115 Si\n0.520051 0.735113 0.063378 Si\n0.479949 0.264887 0.936622 Si\n0.264887 0.479949 0.936622 Si\n0.735113 0.520051 0.063378 Si\n0.764624 0.985605 0.440281 Si\n0.235375 0.014395 0.559719 Si\n0.014395 0.235376 0.559719 Si\n0.985605 0.764625 0.440281 Si\n0.458072 0.243322 0.439552 Si\n0.541928 0.756678 0.560448 Si\n0.756678 0.541928 0.560448 Si\n0.243322 0.458072 0.439552 Si\n0.751611 0.966907 0.214968 W\n0.248389 0.033093 0.785032 W\n0.033093 0.248389 0.785032 W\n0.966907 0.751611 0.214968 W\n0.495518 0.050749 0.164541 W\n0.504482 0.949251 0.835459 W\n0.949251 0.504482 0.835459 W\n0.050749 0.495518 0.164541 W\n0.613450 0.866057 0.028872 O\n0.386550 0.133943 0.971128 O\n0.133943 0.386550 0.971128 O\n0.866057 0.613450 0.028872 O\n0.320017 0.767163 0.353619 O\n0.679983 0.232837 0.646381 O\n0.232837 0.679983 0.646381 O\n0.767163 0.320017 0.353619 O\n0.151028 0.151028 0.099831 O\n0.848972 0.848972 0.900169 O\n0.612141 0.612141 0.030714 O\n0.387859 0.387859 0.969286 O\n0.639336 0.639336 0.605925 O\n0.360664 0.360664 0.394075 O\n0.445157 0.684498 0.184047 O\n0.554843 0.315502 0.815953 O\n0.315502 0.554843 0.815953 O\n0.684498 0.445157 0.184047 O\n0.789682 0.039906 0.997855 O\n0.210318 0.960094 0.002145 O\n0.960094 0.210318 0.002145 O\n0.039906 0.789682 0.997855 O\n0.633671 0.887483 0.482540 O\n0.366329 0.112517 0.517460 O\n0.112517 0.366329 0.517460 O\n0.887483 0.633671 0.482540 O\n0.731291 0.082646 0.510517 O\n0.268709 0.917354 0.489483 O\n0.917354 0.268709 0.489483 O\n0.082646 0.731291 0.510517 O\n0.581350 0.229426 0.004693 O\n0.418650 0.770574 0.995307 O\n0.770574 0.418650 0.995307 O\n0.229426 0.581350 0.004693 O\n0.527340 0.288581 0.509488 O\n0.472660 0.711419 0.490512 O\n0.711419 0.472660 0.490512 O\n0.288581 0.527340 0.509488 O\n0.697775 0.169572 0.150585 O\n0.302225 0.830428 0.849415 O\n0.830428 0.302225 0.849415 O\n0.169572 0.697775 0.150585 O\n0.554100 0.204688 0.341622 O\n0.445900 0.795312 0.658378 O\n0.795312 0.445900 0.658378 O\n0.204688 0.554100 0.341622 O\n0.791791 0.062819 0.319239 O\n0.208209 0.937181 0.680761 O\n0.937181 0.208209 0.680761 O\n0.062819 0.791791 0.319239 O\n0.313908 0.951834 0.157111 O\n0.686092 0.048166 0.842889 O\n0.048166 0.686092 0.842889 O\n0.951834 0.313908 0.157111 O\n0.953821 0.953821 0.157426 O\n0.046179 0.046179 0.842574 O\n0.896587 0.896587 0.457812 O\n0.103413 0.103413 0.542188 O\n",
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"formula_full": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58",
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{
"id": "mp-600181",
"created_at": "2022-09-04T14:43:54.137871Z",
"structure_string": "Lu2 H48 C8 N8 Cl14\n1.0\n7.726552 0.000000 0.000000\n0.000000 9.924359 0.000000\n0.000000 0.200653 13.218725\nLu H C N Cl\n2 48 8 8 14\ndirect\n0.999909 0.500000 0.500000 Lu\n0.009533 0.000000 0.000000 Lu\n0.508376 0.894083 0.054290 H\n0.139782 0.099236 0.720214 H\n0.118106 0.678827 0.874336 H\n0.118106 0.321173 0.125664 H\n0.127527 0.496670 0.887260 H\n0.651743 0.268992 0.299960 H\n0.373721 0.306504 0.453231 H\n0.821070 0.938859 0.405830 H\n0.556149 0.784353 0.530715 H\n0.130541 0.841907 0.408575 H\n0.127527 0.503330 0.112740 H\n0.403046 0.750736 0.038798 H\n0.514043 0.661672 0.200225 H\n0.635953 0.814908 0.210424 H\n0.829077 0.573481 0.918117 H\n0.839812 0.491123 0.809849 H\n0.130541 0.158093 0.591425 H\n0.514043 0.338328 0.799775 H\n0.508376 0.105917 0.945710 H\n0.860380 0.187244 0.673441 H\n0.857951 0.973112 0.282686 H\n0.556149 0.215647 0.469285 H\n0.445231 0.651369 0.723270 H\n0.616345 0.250666 0.963459 H\n0.445231 0.348631 0.276730 H\n0.857951 0.026888 0.717314 H\n0.839812 0.508877 0.190151 H\n0.860380 0.812756 0.326559 H\n0.821070 0.061141 0.594170 H\n0.116936 0.574948 0.764521 H\n0.116936 0.425052 0.235479 H\n0.635953 0.185092 0.789576 H\n0.139782 0.900764 0.279786 H\n0.458603 0.171104 0.303683 H\n0.832559 0.659217 0.809790 H\n0.403046 0.249264 0.961202 H\n0.564284 0.383784 0.448029 H\n0.829077 0.426519 0.081883 H\n0.832559 0.340783 0.190210 H\n0.404907 0.181096 0.783130 H\n0.373721 0.693496 0.546769 H\n0.616345 0.749334 0.036541 H\n0.404907 0.818904 0.216870 H\n0.651743 0.731008 0.700040 H\n0.121024 0.979181 0.620780 H\n0.564284 0.616216 0.551971 H\n0.458603 0.828896 0.696317 H\n0.121024 0.020819 0.379220 H\n0.086430 0.919315 0.354905 C\n0.513839 0.269703 0.319270 C\n0.076696 0.582250 0.843372 C\n0.076696 0.417750 0.156628 C\n0.086430 0.080685 0.645095 C\n0.515803 0.229790 0.816802 C\n0.515803 0.770210 0.183198 C\n0.513839 0.730297 0.680730 C\n0.500255 0.703838 0.570944 N\n0.895441 0.088993 0.657169 N\n0.500255 0.296162 0.429056 N\n0.511026 0.207325 0.928627 N\n0.895441 0.911007 0.342831 N\n0.884058 0.575928 0.845903 N\n0.884058 0.424072 0.154097 N\n0.511026 0.792675 0.071373 N\n0.751401 0.417099 0.624672 Cl\n0.613291 0.000000 0.500000 Cl\n0.978683 0.770324 0.094555 Cl\n0.239876 0.587549 0.382783 Cl\n0.978683 0.229676 0.905445 Cl\n0.239876 0.412451 0.617217 Cl\n0.994981 0.272132 0.408015 Cl\n0.255702 0.083051 0.115269 Cl\n0.255702 0.916949 0.884731 Cl\n0.587967 0.500000 0.000000 Cl\n0.751401 0.582901 0.375328 Cl\n0.994981 0.727868 0.591985 Cl\n0.772064 0.912554 0.871823 Cl\n0.772064 0.087446 0.128177 Cl\n",
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{
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{
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{
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}