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{
"id": "mp-1222111",
"created_at": "2022-09-04T14:47:17.740885Z",
"structure_string": "Mg4 Co4 Si4 O16\n1.0\n4.816366 0.000000 0.000000\n0.000000 6.091477 0.000000\n0.000000 0.000000 10.296332\nMg Co Si O\n4 4 4 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.498825 0.750000 0.775131 Co\n0.001175 0.750000 0.275131 Co\n0.501175 0.250000 0.224869 Co\n0.998825 0.250000 0.724869 Co\n0.927041 0.750000 0.594083 Si\n0.572959 0.750000 0.094083 Si\n0.072959 0.250000 0.405917 Si\n0.427041 0.250000 0.905917 Si\n0.265697 0.750000 0.590664 O\n0.234303 0.750000 0.090664 O\n0.734303 0.250000 0.409336 O\n0.765697 0.250000 0.909336 O\n0.723190 0.750000 0.946855 O\n0.776810 0.750000 0.446855 O\n0.276810 0.250000 0.053145 O\n0.223190 0.250000 0.553145 O\n0.776217 0.967287 0.661617 O\n0.723783 0.532713 0.161617 O\n0.223783 0.467287 0.338383 O\n0.276217 0.032713 0.838383 O\n0.223783 0.032713 0.338383 O\n0.276217 0.467287 0.838383 O\n0.776217 0.532713 0.661617 O\n0.723783 0.967287 0.161617 O\n",
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},
{
"id": "mp-540433",
"created_at": "2022-09-04T14:43:13.608823Z",
"structure_string": "Li2 Fe3 P4 O14\n1.0\n5.612479 0.000000 0.000000\n2.590544 6.410796 0.000000\n1.035551 1.624680 7.166849\nLi Fe P O\n2 3 4 14\ndirect\n0.628180 0.014496 0.688881 Li\n0.371820 0.985504 0.311119 Li\n0.190441 0.517633 0.309649 Fe\n0.000000 0.000000 0.000000 Fe\n0.809559 0.482367 0.690351 Fe\n0.801244 0.260017 0.346904 P\n0.198756 0.739983 0.653096 P\n0.650631 0.682816 0.069636 P\n0.349369 0.317184 0.930364 P\n0.739159 0.430407 0.146208 O\n0.065403 0.648028 0.544497 O\n0.367359 0.773312 0.142985 O\n0.319527 0.288579 0.141602 O\n0.548371 0.248266 0.447646 O\n0.632641 0.226688 0.857015 O\n0.451629 0.751734 0.552354 O\n0.680473 0.711421 0.858398 O\n0.019937 0.939628 0.717826 O\n0.172830 0.232731 0.854453 O\n0.980063 0.060372 0.282174 O\n0.827170 0.767269 0.145547 O\n0.934597 0.351972 0.455503 O\n0.260841 0.569593 0.853792 O\n",
"nsites": 23,
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],
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"volume_molar": 6.751775712206461,
"formula_full": "Li2 Fe3 P4 O14",
"formula_reduced": "Li2Fe3(P2O7)2",
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"updated_at": "2021-11-28T01:36:05.944000Z",
"spacegroup": 2
},
{
"id": "mp-756504",
"created_at": "2022-09-04T14:47:00.839074Z",
"structure_string": "Li1 Mn3 Cr1 O8\n1.0\n5.133798 -2.916815 0.000000\n5.133798 2.916815 0.000000\n3.476583 0.000000 4.772532\nLi Mn Cr O\n1 3 1 8\ndirect\n0.123034 0.123034 0.123034 Li\n0.997169 0.500898 0.500898 Mn\n0.500898 0.997169 0.500898 Mn\n0.500898 0.500898 0.997169 Mn\n0.500735 0.500735 0.500735 Cr\n0.735130 0.735130 0.735130 O\n0.740330 0.740330 0.295297 O\n0.295297 0.740330 0.740330 O\n0.740330 0.295297 0.740330 O\n0.709134 0.259430 0.259430 O\n0.259430 0.709134 0.259430 O\n0.259430 0.259430 0.709134 O\n0.263185 0.263185 0.263185 O\n",
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],
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"formula_full": "Li1 Mn3 Cr1 O8",
"formula_reduced": "LiMn3CrO8",
"formula_anonymous": "ABC3D8",
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"spacegroup": 160
},
{
"id": "mp-1213511",
"created_at": "2022-09-04T14:47:26.583394Z",
"structure_string": "K20 U4 Cr12 H12 N4 O68\n1.0\n6.095500 0.000000 0.000000\n0.000000 12.263116 0.000000\n0.000000 0.000000 27.671298\nK U Cr H N O\n20 4 12 12 4 68\ndirect\n0.508307 0.004259 0.326772 K\n0.991693 0.995741 0.826772 K\n0.491693 0.504259 0.173228 K\n0.008307 0.495741 0.673228 K\n0.038727 0.819132 0.459587 K\n0.461273 0.180868 0.959587 K\n0.961273 0.319132 0.040413 K\n0.538727 0.680868 0.540413 K\n0.203459 0.314876 0.539740 K\n0.296541 0.685124 0.039740 K\n0.796541 0.814876 0.960260 K\n0.703459 0.185124 0.460260 K\n0.513357 0.173198 0.124386 K\n0.986643 0.826802 0.624386 K\n0.486643 0.673198 0.375614 K\n0.013357 0.326802 0.875614 K\n0.476397 0.353780 0.337554 K\n0.023603 0.646220 0.837554 K\n0.523603 0.853780 0.162446 K\n0.976397 0.146220 0.662446 K\n0.033148 0.010317 0.212014 U\n0.466852 0.989683 0.712014 U\n0.966852 0.510317 0.287986 U\n0.533148 0.489683 0.787986 U\n0.059312 0.313649 0.182042 Cr\n0.440688 0.686351 0.682042 Cr\n0.940688 0.813649 0.317958 Cr\n0.559312 0.186351 0.817958 Cr\n0.089938 0.010238 0.075469 Cr\n0.410062 0.989762 0.575469 Cr\n0.910062 0.510238 0.424531 Cr\n0.589938 0.489762 0.924531 Cr\n0.008070 0.697224 0.167736 Cr\n0.491930 0.302776 0.667736 Cr\n0.991930 0.197224 0.332264 Cr\n0.508070 0.802776 0.832264 Cr\n0.415064 0.382037 0.440271 H\n0.084936 0.617963 0.940271 H\n0.584936 0.882037 0.059729 H\n0.915064 0.117963 0.559729 H\n0.513150 0.206321 0.260083 H\n0.986850 0.793679 0.760083 H\n0.486850 0.706321 0.239917 H\n0.013150 0.293679 0.739917 H\n0.178639 0.141832 0.460407 H\n0.321361 0.858168 0.960407 H\n0.821361 0.641832 0.039593 H\n0.678639 0.358168 0.539593 H\n0.457565 0.414122 0.051490 N\n0.042435 0.585878 0.551490 N\n0.542435 0.914122 0.448510 N\n0.957565 0.085878 0.948510 N\n0.230843 0.682088 0.133919 O\n0.269157 0.317912 0.633919 O\n0.769157 0.182088 0.366081 O\n0.730843 0.817912 0.866081 O\n0.478053 0.111687 0.553324 O\n0.021947 0.888313 0.053324 O\n0.521947 0.611687 0.946676 O\n0.978053 0.388313 0.446676 O\n0.195183 0.025896 0.735889 O\n0.304817 0.974104 0.235889 O\n0.804817 0.525896 0.764111 O\n0.695183 0.474104 0.264111 O\n0.462954 0.312648 0.041416 O\n0.037046 0.687352 0.541416 O\n0.537046 0.812648 0.458584 O\n0.962954 0.187352 0.958584 O\n0.290306 0.064052 0.043594 O\n0.209694 0.935948 0.543594 O\n0.709694 0.564052 0.456406 O\n0.790306 0.435948 0.956406 O\n0.185130 0.999316 0.134858 O\n0.314870 0.000684 0.634858 O\n0.814870 0.499316 0.365142 O\n0.685130 0.500684 0.865142 O\n0.216359 0.164710 0.361788 O\n0.283641 0.835290 0.861788 O\n0.783641 0.664710 0.138212 O\n0.716359 0.335290 0.638212 O\n0.118840 0.594892 0.424896 O\n0.381160 0.405108 0.924896 O\n0.881160 0.094892 0.075104 O\n0.618840 0.905108 0.575104 O\n0.149695 0.185873 0.195852 O\n0.350305 0.814127 0.695852 O\n0.850305 0.685873 0.304148 O\n0.649695 0.314127 0.804148 O\n0.131679 0.402496 0.226011 O\n0.368321 0.597504 0.726011 O\n0.868321 0.902496 0.273989 O\n0.631679 0.097504 0.773989 O\n0.034672 0.618572 0.217022 O\n0.465328 0.381428 0.717022 O\n0.965328 0.118572 0.282978 O\n0.534672 0.881428 0.782978 O\n0.295537 0.470785 0.038166 O\n0.204463 0.529215 0.538166 O\n0.704463 0.970785 0.461834 O\n0.795537 0.029215 0.961834 O\n0.794381 0.314597 0.173575 O\n0.705619 0.685403 0.673575 O\n0.205619 0.814597 0.326425 O\n0.294381 0.185403 0.826425 O\n0.613573 0.456805 0.075044 O\n0.886427 0.543195 0.575044 O\n0.386427 0.956805 0.424956 O\n0.113573 0.043195 0.924956 O\n0.185133 0.350415 0.132093 O\n0.314867 0.649585 0.632093 O\n0.814867 0.850415 0.367907 O\n0.685133 0.149585 0.867907 O\n0.240496 0.539686 0.312656 O\n0.259504 0.460314 0.812656 O\n0.759504 0.039686 0.187344 O\n0.740496 0.960314 0.687344 O\n0.014690 0.329263 0.315767 O\n0.485310 0.670737 0.815767 O\n0.985310 0.829263 0.184233 O\n0.514690 0.170737 0.684233 O\n",
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"formula_full": "K20 U4 Cr12 H12 N4 O68",
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},
{
"id": "mp-1201554",
"created_at": "2022-09-04T14:42:51.992184Z",
"structure_string": "Ba2 Yb12 Si14 O48\n1.0\n27.906554 0.000000 0.000000\n0.000000 5.665680 0.000000\n0.000000 2.011753 6.753790\nBa Yb Si O\n2 12 14 48\ndirect\n0.750000 0.712949 0.911559 Ba\n0.250000 0.287051 0.088441 Ba\n0.687406 0.111973 0.240601 Yb\n0.187406 0.888027 0.759399 Yb\n0.312594 0.888027 0.759399 Yb\n0.812594 0.111973 0.240601 Yb\n0.600722 0.782901 0.591720 Yb\n0.100722 0.217099 0.408280 Yb\n0.399278 0.217099 0.408280 Yb\n0.899278 0.782901 0.591720 Yb\n0.542379 0.181602 0.818231 Yb\n0.042379 0.818398 0.181769 Yb\n0.457621 0.818398 0.181769 Yb\n0.957621 0.181602 0.818231 Yb\n0.473615 0.722073 0.701856 Si\n0.973615 0.277927 0.298144 Si\n0.526385 0.277927 0.298144 Si\n0.026385 0.722073 0.701856 Si\n0.610983 0.680485 0.113503 Si\n0.110983 0.319515 0.886497 Si\n0.389017 0.319515 0.886497 Si\n0.889017 0.680485 0.113503 Si\n0.669740 0.251621 0.696854 Si\n0.169740 0.748379 0.303146 Si\n0.330260 0.748379 0.303146 Si\n0.830260 0.251621 0.696854 Si\n0.750000 0.546434 0.423605 Si\n0.250000 0.453566 0.576395 Si\n0.450512 0.879617 0.491445 O\n0.950512 0.120383 0.508555 O\n0.549488 0.120383 0.508555 O\n0.049488 0.879617 0.491445 O\n0.524650 0.593921 0.674884 O\n0.024650 0.406079 0.325116 O\n0.475350 0.406079 0.325116 O\n0.975350 0.593921 0.674884 O\n0.434985 0.497994 0.795576 O\n0.934985 0.502006 0.204424 O\n0.565015 0.502006 0.204424 O\n0.065015 0.497994 0.795576 O\n0.480985 0.885503 0.855720 O\n0.980985 0.114497 0.144280 O\n0.519015 0.114497 0.144280 O\n0.019015 0.885503 0.855720 O\n0.658992 0.520338 0.095532 O\n0.158992 0.479662 0.904468 O\n0.341008 0.479662 0.904468 O\n0.841008 0.520338 0.095532 O\n0.593968 0.848531 0.897608 O\n0.093968 0.151469 0.102392 O\n0.406032 0.151469 0.102392 O\n0.906032 0.848531 0.897608 O\n0.624912 0.835951 0.267038 O\n0.124912 0.164049 0.732962 O\n0.375088 0.164049 0.732962 O\n0.875088 0.835951 0.267038 O\n0.697168 0.128733 0.908196 O\n0.197168 0.871267 0.091804 O\n0.302832 0.871267 0.091804 O\n0.802832 0.128733 0.908196 O\n0.618015 0.367856 0.731794 O\n0.118015 0.632144 0.268206 O\n0.381985 0.632144 0.268206 O\n0.881985 0.367856 0.731794 O\n0.665603 0.059242 0.565461 O\n0.165603 0.940758 0.434539 O\n0.334397 0.940758 0.434539 O\n0.834397 0.059242 0.565461 O\n0.703436 0.497038 0.579156 O\n0.203436 0.502962 0.420844 O\n0.296564 0.502962 0.420844 O\n0.796564 0.497038 0.579156 O\n0.750000 0.360258 0.285271 O\n0.250000 0.639742 0.714729 O\n0.750000 0.830673 0.290254 O\n0.250000 0.169327 0.709746 O\n",
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{
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