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{
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{
"id": "mp-707509",
"created_at": "2022-09-04T14:47:25.922846Z",
"structure_string": "Cu4 H24 Se8 N4 Cl4 O24\n1.0\n7.424937 0.000000 0.000000\n0.000000 9.064819 0.000000\n0.000000 0.000000 12.277478\nCu H Se N Cl O\n4 24 8 4 4 24\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.389326 0.946404 0.074592 H\n0.110674 0.446404 0.425408 H\n0.610674 0.053596 0.574592 H\n0.889326 0.553596 0.925408 H\n0.610674 0.053596 0.925408 H\n0.889326 0.553596 0.574592 H\n0.389326 0.946404 0.425408 H\n0.110674 0.446404 0.074592 H\n0.312473 0.718697 0.250000 H\n0.187527 0.218697 0.250000 H\n0.687527 0.281303 0.750000 H\n0.812473 0.781303 0.750000 H\n0.178464 0.572171 0.250000 H\n0.321536 0.072171 0.250000 H\n0.821536 0.427829 0.750000 H\n0.678464 0.927829 0.750000 H\n0.120011 0.726918 0.319234 H\n0.379989 0.226918 0.180766 H\n0.879989 0.273082 0.819234 H\n0.620011 0.773082 0.680766 H\n0.879989 0.273082 0.680766 H\n0.620011 0.773082 0.819234 H\n0.120011 0.726918 0.180766 H\n0.379989 0.226918 0.319234 H\n0.657414 0.808425 0.076330 Se\n0.842586 0.308425 0.423670 Se\n0.342586 0.191575 0.576330 Se\n0.157414 0.691575 0.923670 Se\n0.342586 0.191575 0.923670 Se\n0.157414 0.691575 0.576330 Se\n0.657414 0.808425 0.423670 Se\n0.842586 0.308425 0.076330 Se\n0.180149 0.685916 0.250000 N\n0.319851 0.185916 0.250000 N\n0.819851 0.314084 0.750000 N\n0.680149 0.814084 0.750000 N\n0.549352 0.520408 0.250000 Cl\n0.950648 0.020408 0.250000 Cl\n0.450648 0.479592 0.750000 Cl\n0.049352 0.979592 0.750000 Cl\n0.559222 0.709318 0.971405 O\n0.940778 0.209318 0.528595 O\n0.440778 0.290682 0.471405 O\n0.059222 0.790682 0.028595 O\n0.440778 0.290682 0.028595 O\n0.059222 0.790682 0.471405 O\n0.559222 0.709318 0.528595 O\n0.940778 0.209318 0.971405 O\n0.737860 0.956569 0.000693 O\n0.762140 0.456569 0.499307 O\n0.262140 0.043431 0.500693 O\n0.237860 0.543431 0.999307 O\n0.262140 0.043431 0.999307 O\n0.237860 0.543431 0.500693 O\n0.737860 0.956569 0.499307 O\n0.762140 0.456569 0.000693 O\n0.461935 0.893015 0.133615 O\n0.038065 0.393015 0.366385 O\n0.538065 0.106985 0.633615 O\n0.961935 0.606985 0.866385 O\n0.538065 0.106985 0.866385 O\n0.961935 0.606985 0.633615 O\n0.461935 0.893015 0.366385 O\n0.038065 0.393015 0.133615 O\n",
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],
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"formula_full": "Cu4 H24 Se8 N4 Cl4 O24",
"formula_reduced": "CuH6Se2NClO6",
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"updated_at": "2021-11-28T01:38:12.281000Z",
"spacegroup": 62
},
{
"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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},
{
"id": "mp-849790",
"created_at": "2022-09-04T14:47:29.848741Z",
"structure_string": "Si4 H84 C24 N8 O4 F20\n1.0\n13.616020 0.000000 0.000000\n0.000000 7.958504 0.000000\n0.000000 1.286997 11.070634\nSi H C N O F\n4 84 24 8 4 20\ndirect\n0.429471 0.685150 0.808253 Si\n0.070529 0.685150 0.308253 Si\n0.929471 0.314850 0.691747 Si\n0.570529 0.314850 0.191747 Si\n0.601440 0.975198 0.630294 H\n0.544536 0.926116 0.849126 H\n0.209539 0.894220 0.894369 H\n0.948051 0.901046 0.822014 H\n0.482508 0.843638 0.982240 H\n0.898560 0.975198 0.130294 H\n0.818823 0.926853 0.517746 H\n0.382937 0.892323 0.510515 H\n0.955464 0.926116 0.349126 H\n0.290461 0.894220 0.394369 H\n0.715222 0.831360 0.820813 H\n0.551949 0.901046 0.322014 H\n0.950700 0.770563 0.964731 H\n0.017492 0.843638 0.482240 H\n0.681177 0.926853 0.017746 H\n0.101658 0.771900 0.769510 H\n0.892111 0.794167 0.624134 H\n0.117063 0.892323 0.010515 H\n0.242080 0.762585 0.672445 H\n0.784778 0.831360 0.320813 H\n0.549300 0.770563 0.464731 H\n0.162195 0.737069 0.574290 H\n0.775212 0.720754 0.580487 H\n0.937819 0.674206 0.826788 H\n0.398342 0.771900 0.269510 H\n0.607889 0.794167 0.124134 H\n0.257920 0.762585 0.172445 H\n0.649451 0.652039 0.776576 H\n0.594870 0.595363 0.982900 H\n0.745721 0.619939 0.885725 H\n0.337805 0.737069 0.074290 H\n0.724788 0.720754 0.080487 H\n0.562181 0.674206 0.326788 H\n0.194453 0.587628 0.901076 H\n0.850549 0.652039 0.276576 H\n0.905130 0.595363 0.482900 H\n0.754279 0.619939 0.385725 H\n0.398156 0.587057 0.515885 H\n0.305547 0.587628 0.401076 H\n0.075510 0.496244 0.877743 H\n0.575510 0.503756 0.622257 H\n0.101844 0.587057 0.015885 H\n0.898156 0.412943 0.984115 H\n0.424490 0.496244 0.377743 H\n0.924490 0.503756 0.122257 H\n0.694453 0.412372 0.598924 H\n0.601844 0.412943 0.484115 H\n0.245721 0.380061 0.614275 H\n0.094870 0.404637 0.517100 H\n0.149451 0.347961 0.723424 H\n0.805547 0.412372 0.098924 H\n0.437819 0.325794 0.673212 H\n0.275212 0.279246 0.919513 H\n0.662195 0.262931 0.925710 H\n0.254279 0.380061 0.114275 H\n0.405130 0.404637 0.017100 H\n0.350549 0.347961 0.223424 H\n0.742080 0.237415 0.827555 H\n0.392111 0.205833 0.875866 H\n0.601658 0.228100 0.730490 H\n0.062181 0.325794 0.173212 H\n0.224788 0.279246 0.419513 H\n0.837805 0.262931 0.425710 H\n0.450700 0.229437 0.535269 H\n0.215222 0.168640 0.679187 H\n0.757920 0.237415 0.327555 H\n0.882937 0.107677 0.989485 H\n0.107889 0.205833 0.375866 H\n0.898342 0.228100 0.230490 H\n0.318823 0.073147 0.982254 H\n0.982508 0.156362 0.517760 H\n0.049300 0.229437 0.035269 H\n0.448051 0.098954 0.677986 H\n0.284778 0.168640 0.179187 H\n0.709539 0.105780 0.605631 H\n0.044536 0.073884 0.650874 H\n0.617063 0.107677 0.489485 H\n0.181177 0.073147 0.482254 H\n0.101440 0.024802 0.869706 H\n0.517492 0.156362 0.017760 H\n0.051949 0.098954 0.177986 H\n0.790461 0.105780 0.105631 H\n0.455464 0.073884 0.150874 H\n0.398560 0.024802 0.369706 H\n0.130855 0.904566 0.912925 C\n0.369145 0.904566 0.412925 C\n0.520855 0.808343 0.902393 C\n0.970842 0.778470 0.868913 C\n0.839615 0.796504 0.549846 C\n0.979145 0.808343 0.402393 C\n0.686437 0.704671 0.850694 C\n0.529158 0.778470 0.368913 C\n0.660385 0.796504 0.049846 C\n0.813563 0.704671 0.350694 C\n0.115358 0.595135 0.918360 C\n0.384642 0.595135 0.418360 C\n0.615358 0.404865 0.581640 C\n0.884642 0.404865 0.081640 C\n0.186437 0.295329 0.649306 C\n0.339615 0.203496 0.950154 C\n0.470842 0.221530 0.631087 C\n0.313563 0.295329 0.149306 C\n0.020855 0.191657 0.597607 C\n0.160385 0.203496 0.450154 C\n0.029158 0.221530 0.131087 C\n0.479145 0.191657 0.097607 C\n0.630855 0.095434 0.587075 C\n0.869145 0.095434 0.087075 C\n0.079784 0.763209 0.861177 N\n0.613426 0.718624 0.948697 N\n0.420216 0.763209 0.361177 N\n0.886574 0.718624 0.448697 N\n0.113426 0.281376 0.551303 N\n0.579784 0.236791 0.638823 N\n0.386574 0.281376 0.051303 N\n0.920216 0.236791 0.138823 N\n0.177278 0.803018 0.641630 O\n0.322722 0.803018 0.141630 O\n0.677278 0.196982 0.858370 O\n0.822722 0.196982 0.358370 O\n0.360430 0.868373 0.782316 F\n0.139570 0.868373 0.282316 F\n0.495124 0.738016 0.675401 F\n0.358328 0.623146 0.941171 F\n0.004876 0.738016 0.175401 F\n0.343394 0.584810 0.727329 F\n0.141672 0.623146 0.441171 F\n0.493325 0.496622 0.837123 F\n0.156606 0.584810 0.227329 F\n0.993325 0.503378 0.662877 F\n0.006675 0.496622 0.337123 F\n0.843394 0.415190 0.772671 F\n0.506675 0.503378 0.162877 F\n0.858328 0.376854 0.558829 F\n0.656606 0.415190 0.272671 F\n0.995124 0.261984 0.824599 F\n0.641672 0.376854 0.058829 F\n0.504876 0.261984 0.324599 F\n0.860430 0.131627 0.717684 F\n0.639570 0.131627 0.217684 F\n",
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},
{
"id": "mp-1236434",
"created_at": "2022-09-04T14:47:28.981384Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.037972 4.317452 -0.000371\n-4.029744 -4.309507 0.001493\n-2.020243 2.156811 8.876700\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.455293 0.965575 0.167885 Sr\n0.877047 0.534023 0.167629 Sr\n0.089477 0.520360 0.789404 Sr\n0.620834 0.979663 0.790020 Sr\n0.120269 0.249970 0.260420 Li\n0.501056 0.484979 0.969158 Mn\n0.030061 0.015005 0.968861 Mn\n0.502475 0.249360 0.497768 Cu\n0.502018 0.749422 0.497204 Cu\n0.984081 0.251618 0.525885 Cu\n0.175278 0.014825 0.666857 S\n0.657448 0.486414 0.667313 S\n0.325587 0.495309 0.371169 S\n0.803987 0.003570 0.369848 S\n0.219950 0.249909 0.060146 O\n0.753841 0.750067 0.992291 O\n0.757983 0.250011 0.984045 O\n0.258730 0.749919 0.982668 O\n",
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"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
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},
{
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"updated_at": "2021-11-28T01:38:09.498000Z",
"spacegroup": 61
},
{
"id": "mp-1196779",
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"structure_string": "La4 H56 Pt2 N8 Cl12 O52\n1.0\n7.024345 0.000000 0.000000\n0.000000 16.685635 0.000000\n-0.828598 0.000000 13.524882\nLa H Pt N Cl O\n4 56 2 8 12 52\ndirect\n0.502442 0.190650 0.649185 La\n0.497558 0.690650 0.850815 La\n0.497558 0.809350 0.350815 La\n0.502442 0.309350 0.149185 La\n0.289061 0.338943 0.935113 H\n0.710939 0.838943 0.564887 H\n0.710939 0.661057 0.064887 H\n0.289061 0.161057 0.435113 H\n0.193929 0.259404 0.975814 H\n0.806071 0.759404 0.524186 H\n0.806071 0.740596 0.024186 H\n0.193929 0.240596 0.475814 H\n0.901111 0.099123 0.701082 H\n0.098889 0.599123 0.798918 H\n0.098889 0.900877 0.298918 H\n0.901111 0.400877 0.201082 H\n0.759795 0.066639 0.779079 H\n0.240205 0.566639 0.720921 H\n0.240205 0.933361 0.220921 H\n0.759795 0.433361 0.279079 H\n0.115150 0.281019 0.681928 H\n0.884850 0.781019 0.818072 H\n0.884850 0.718981 0.318072 H\n0.115150 0.218981 0.181928 H\n0.274564 0.334945 0.735755 H\n0.725436 0.834945 0.764245 H\n0.725436 0.665055 0.264245 H\n0.274564 0.165055 0.235755 H\n0.484274 0.155757 0.885256 H\n0.515726 0.655757 0.614744 H\n0.515726 0.844243 0.114744 H\n0.484274 0.344243 0.385256 H\n0.320592 0.101972 0.836128 H\n0.679408 0.601972 0.663872 H\n0.679408 0.898028 0.163872 H\n0.320592 0.398028 0.336128 H\n0.760358 0.098535 0.488266 H\n0.239642 0.598535 0.011734 H\n0.239642 0.901465 0.511734 H\n0.760358 0.401465 0.988266 H\n0.691124 0.179374 0.441844 H\n0.308876 0.679374 0.058156 H\n0.308876 0.820626 0.558156 H\n0.691124 0.320626 0.941844 H\n0.687718 0.349809 0.555182 H\n0.312282 0.849809 0.944818 H\n0.312282 0.650191 0.444818 H\n0.687718 0.150191 0.055182 H\n0.471117 0.369463 0.562703 H\n0.528883 0.869463 0.937297 H\n0.528883 0.630537 0.437297 H\n0.471117 0.130537 0.062703 H\n0.408069 0.446337 0.854368 H\n0.591931 0.946337 0.645632 H\n0.591931 0.553663 0.145632 H\n0.408069 0.053663 0.354368 H\n0.187514 0.440070 0.837467 H\n0.812486 0.940070 0.662533 H\n0.812486 0.559930 0.162533 H\n0.187514 0.059930 0.337467 H\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.219306 0.455670 0.121657 N\n0.780694 0.955670 0.378343 N\n0.780694 0.544330 0.878343 N\n0.219306 0.044330 0.621657 N\n0.821071 0.283854 0.774787 N\n0.178929 0.783854 0.725213 N\n0.178929 0.716146 0.225213 N\n0.821071 0.216146 0.274787 N\n0.988412 0.362832 0.459735 Cl\n0.011588 0.862832 0.040265 Cl\n0.011588 0.637168 0.540265 Cl\n0.988412 0.137168 0.959735 Cl\n0.298645 0.485754 0.585903 Cl\n0.701355 0.985754 0.914097 Cl\n0.701355 0.514246 0.414097 Cl\n0.298645 0.014246 0.085903 Cl\n0.152805 0.525244 0.353925 Cl\n0.847195 0.025244 0.146075 Cl\n0.847195 0.474756 0.646075 Cl\n0.152805 0.974756 0.853925 Cl\n0.287164 0.301449 0.992509 O\n0.712836 0.801449 0.507491 O\n0.712836 0.698551 0.007491 O\n0.287164 0.198551 0.492509 O\n0.765131 0.091369 0.713356 O\n0.234869 0.591369 0.786644 O\n0.234869 0.908631 0.286644 O\n0.765131 0.408631 0.213356 O\n0.253986 0.291800 0.686246 O\n0.746014 0.791800 0.813754 O\n0.746014 0.708200 0.313754 O\n0.253986 0.208200 0.186246 O\n0.418876 0.141416 0.821821 O\n0.581124 0.641416 0.678179 O\n0.581124 0.858584 0.178179 O\n0.418876 0.358584 0.321821 O\n0.694419 0.148487 0.503739 O\n0.305581 0.648487 0.996261 O\n0.305581 0.851513 0.496261 O\n0.694419 0.351513 0.003739 O\n0.559901 0.325663 0.548909 O\n0.440099 0.825663 0.951091 O\n0.440099 0.674337 0.451091 O\n0.559901 0.174337 0.048909 O\n0.154421 0.392420 0.160421 O\n0.845579 0.892420 0.339579 O\n0.845579 0.607580 0.839579 O\n0.154421 0.107580 0.660421 O\n0.399852 0.457630 0.109772 O\n0.600148 0.957630 0.390228 O\n0.600148 0.542370 0.890228 O\n0.399852 0.042370 0.609772 O\n0.114897 0.513096 0.095798 O\n0.885103 0.013096 0.404202 O\n0.885103 0.486904 0.904202 O\n0.114897 0.986904 0.595798 O\n0.856791 0.258700 0.688456 O\n0.143209 0.758700 0.811544 O\n0.143209 0.741300 0.311544 O\n0.856791 0.241300 0.188456 O\n0.648565 0.276227 0.800814 O\n0.351435 0.776227 0.699186 O\n0.351435 0.723773 0.199186 O\n0.648565 0.223773 0.300814 O\n0.945378 0.313951 0.831666 O\n0.054622 0.813951 0.668334 O\n0.054622 0.686049 0.168334 O\n0.945378 0.186049 0.331666 O\n0.303769 0.407637 0.842453 O\n0.696231 0.907637 0.657547 O\n0.696231 0.592363 0.157547 O\n0.303769 0.092363 0.342453 O\n",
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],
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"formula_full": "La4 H56 Pt2 N8 Cl12 O52",
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{
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{
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}