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{
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{
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"formula_full": "Li2 Mn2 P4 H10 O18",
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{
"id": "mp-555182",
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"structure_string": "Na8 Be8 Si12 O36\n1.0\n6.880164 0.000000 0.000000\n0.000000 9.509876 0.000000\n0.000000 0.000000 11.866271\nNa Be Si O\n8 8 12 36\ndirect\n0.848043 0.967254 0.346968 Na\n0.348043 0.032746 0.153032 Na\n0.151957 0.032746 0.653032 Na\n0.848043 0.532746 0.346968 Na\n0.651957 0.532746 0.846968 Na\n0.151957 0.467254 0.653032 Na\n0.651957 0.967254 0.846968 Na\n0.348043 0.467254 0.153032 Na\n0.594363 0.059644 0.569517 Be\n0.094363 0.559644 0.930483 Be\n0.405637 0.940356 0.430483 Be\n0.405637 0.559644 0.430483 Be\n0.594363 0.440356 0.569517 Be\n0.905637 0.440356 0.069517 Be\n0.905637 0.059644 0.069517 Be\n0.094363 0.940356 0.930483 Be\n0.474907 0.250000 0.754039 Si\n0.399562 0.750000 0.996721 Si\n0.328668 0.250000 0.437672 Si\n0.899562 0.250000 0.503279 Si\n0.025093 0.250000 0.254039 Si\n0.671332 0.750000 0.562328 Si\n0.600438 0.250000 0.003279 Si\n0.525093 0.750000 0.245961 Si\n0.171332 0.250000 0.937672 Si\n0.974907 0.750000 0.745961 Si\n0.100438 0.750000 0.496721 Si\n0.828668 0.750000 0.062328 Si\n0.750552 0.750000 0.193436 O\n0.682960 0.396133 0.053216 O\n0.953472 0.608874 0.040385 O\n0.453472 0.391126 0.459615 O\n0.546528 0.608874 0.540385 O\n0.250552 0.250000 0.306564 O\n0.998552 0.896873 0.812614 O\n0.498552 0.396873 0.687386 O\n0.453472 0.108874 0.459615 O\n0.501448 0.896873 0.312614 O\n0.953472 0.891126 0.040385 O\n0.998552 0.603127 0.812614 O\n0.817040 0.103867 0.553216 O\n0.124041 0.750000 0.636419 O\n0.001448 0.396873 0.187386 O\n0.249448 0.250000 0.806564 O\n0.640243 0.750000 0.973879 O\n0.046528 0.108874 0.959615 O\n0.749448 0.750000 0.693436 O\n0.546528 0.891126 0.540385 O\n0.817040 0.396133 0.553216 O\n0.001448 0.103127 0.187386 O\n0.375959 0.750000 0.136419 O\n0.359757 0.250000 0.026121 O\n0.317040 0.603867 0.946784 O\n0.498552 0.103127 0.687386 O\n0.859757 0.750000 0.473879 O\n0.875959 0.250000 0.363581 O\n0.501448 0.603127 0.312614 O\n0.182960 0.603867 0.446784 O\n0.182960 0.896133 0.446784 O\n0.682960 0.103867 0.053216 O\n0.624041 0.250000 0.863581 O\n0.046528 0.391126 0.959615 O\n0.140243 0.250000 0.526121 O\n0.317040 0.896133 0.946784 O\n",
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"spacegroup": 62
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{
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"structure_string": "Pr3 Hf1\n1.0\n-2.525389 2.525389 4.976718\n2.525389 -2.525389 4.976718\n2.525389 2.525389 -4.976718\nPr Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Hf\n",
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{
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"created_at": "2022-09-04T14:46:56.324882Z",
"structure_string": "Cu4 S2 O10\n1.0\n3.208136 4.747296 0.000000\n-3.208136 4.747296 0.000000\n0.000000 4.343962 6.549237\nCu S O\n4 2 10\ndirect\n0.080140 0.080140 0.781112 Cu\n0.919860 0.919860 0.218888 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.595946 0.595946 0.685986 S\n0.404054 0.404054 0.314014 S\n0.708647 0.325408 0.245206 O\n0.674592 0.291353 0.754794 O\n0.291353 0.674592 0.754794 O\n0.325408 0.708647 0.245206 O\n0.149430 0.149430 0.982299 O\n0.850570 0.850570 0.017701 O\n0.299936 0.299936 0.230205 O\n0.700064 0.700064 0.769795 O\n0.694527 0.694527 0.460137 O\n0.305473 0.305473 0.539863 O\n",
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{
"id": "mp-1203902",
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"structure_string": "Co2 As4 S12 N12 F36\n1.0\n9.554814 0.000000 0.000000\n0.000000 9.687661 0.000000\n0.000000 9.562799 13.652442\nCo As S N F\n2 4 12 12 36\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.551133 0.256826 0.746478 As\n0.948867 0.256826 0.246478 As\n0.448867 0.743174 0.253522 As\n0.051133 0.743174 0.753522 As\n0.305065 0.662214 0.536202 S\n0.194935 0.662214 0.036202 S\n0.694935 0.337786 0.463798 S\n0.805065 0.337786 0.963798 S\n0.804046 0.768749 0.537143 S\n0.695954 0.768749 0.037143 S\n0.195954 0.231251 0.462857 S\n0.304046 0.231251 0.962857 S\n0.465992 0.819913 0.750967 S\n0.034008 0.819913 0.250967 S\n0.534008 0.180087 0.249033 S\n0.965992 0.180087 0.749033 S\n0.388087 0.794294 0.526712 N\n0.111913 0.794294 0.026712 N\n0.611913 0.205706 0.473288 N\n0.888087 0.205706 0.973288 N\n0.479088 0.903557 0.646995 N\n0.020912 0.903557 0.146995 N\n0.520912 0.096443 0.353005 N\n0.979088 0.096443 0.853005 N\n0.683753 0.865669 0.528397 N\n0.816247 0.865669 0.028397 N\n0.316247 0.134331 0.471603 N\n0.183753 0.134331 0.971603 N\n0.405497 0.130365 0.763378 F\n0.094503 0.130365 0.263378 F\n0.594503 0.869635 0.236622 F\n0.905497 0.869635 0.736622 F\n0.572659 0.143483 0.875583 F\n0.927341 0.143483 0.375583 F\n0.427341 0.856517 0.124417 F\n0.072659 0.856517 0.624417 F\n0.700763 0.380744 0.729812 F\n0.799237 0.380744 0.229812 F\n0.299237 0.619256 0.270188 F\n0.200763 0.619256 0.770188 F\n0.532528 0.372238 0.617010 F\n0.967472 0.372238 0.117010 F\n0.467472 0.627762 0.382990 F\n0.032528 0.627762 0.882990 F\n0.663469 0.110960 0.745273 F\n0.836531 0.110960 0.245273 F\n0.336531 0.889040 0.254727 F\n0.163469 0.889040 0.754727 F\n0.439905 0.402303 0.747648 F\n0.060095 0.402303 0.247648 F\n0.560095 0.597697 0.252352 F\n0.939905 0.597697 0.752352 F\n0.153890 0.725350 0.473908 F\n0.346110 0.725350 0.973908 F\n0.846110 0.274650 0.526092 F\n0.653890 0.274650 0.026092 F\n0.799098 0.694604 0.468373 F\n0.700902 0.694604 0.968373 F\n0.200902 0.305396 0.531627 F\n0.299098 0.305396 0.031627 F\n0.545456 0.632561 0.818254 F\n0.954544 0.632561 0.318254 F\n0.454544 0.367439 0.181746 F\n0.045456 0.367439 0.681746 F\n",
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{
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{
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"structure_string": "Na20 Zn8 O18\n1.0\n5.445838 6.856481 0.000000\n-5.445838 6.856481 0.000000\n0.000000 2.414346 8.402692\nNa Zn O\n20 8 18\ndirect\n0.999873 0.000127 0.000000 Na\n0.948302 0.643805 0.631814 Na\n0.914796 0.328118 0.708328 Na\n0.801436 0.750781 0.361007 Na\n0.699676 0.300324 0.000000 Na\n0.609532 0.940702 0.625426 Na\n0.617777 0.630725 0.938401 Na\n0.772237 0.227763 0.500000 Na\n0.768440 0.485069 0.225474 Na\n0.671882 0.085204 0.291672 Na\n0.514931 0.231560 0.774526 Na\n0.507649 0.771492 0.227647 Na\n0.347199 0.779700 0.789093 Na\n0.228508 0.492351 0.772353 Na\n0.237156 0.762844 0.500000 Na\n0.369275 0.382223 0.061599 Na\n0.356195 0.051698 0.368186 Na\n0.220300 0.652801 0.210907 Na\n0.249219 0.198564 0.638993 Na\n0.059298 0.390468 0.374574 Na\n0.963839 0.973227 0.668630 Zn\n0.963831 0.663890 0.969634 Zn\n0.671479 0.968031 0.968566 Zn\n0.589581 0.577110 0.595477 Zn\n0.422890 0.410419 0.404523 Zn\n0.336110 0.036169 0.030366 Zn\n0.031969 0.328521 0.031434 Zn\n0.026773 0.036161 0.331370 Zn\n0.882515 0.491670 0.893825 O\n0.873037 0.912165 0.494664 O\n0.800155 0.490551 0.491901 O\n0.890222 0.200332 0.192807 O\n0.799668 0.109778 0.807193 O\n0.790717 0.790933 0.102331 O\n0.500654 0.898187 0.890932 O\n0.498727 0.793990 0.496187 O\n0.486291 0.497473 0.805222 O\n0.502527 0.513709 0.194778 O\n0.509449 0.199845 0.508099 O\n0.508330 0.117485 0.106175 O\n0.209067 0.209283 0.897669 O\n0.221271 0.910244 0.222301 O\n0.089756 0.778729 0.777699 O\n0.206010 0.501273 0.503813 O\n0.087835 0.126963 0.505336 O\n0.101813 0.499346 0.109068 O\n",
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{
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{
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"formula_full": "Ca2 H12 C4 O14",
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{
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{
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}