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{
"id": "mp-1224806",
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"structure_string": "K10 Al2 Cr8 Mo20 O80\n1.0\n0.001930 5.766410 -0.000760\n15.633902 0.000291 37.271785\n7.797633 2.886375 -4.373822\nK Al Cr Mo O\n10 2 8 20 80\ndirect\n0.962881 0.150014 0.700001 K\n0.162827 0.350001 0.299715 K\n0.362826 0.549982 0.899734 K\n0.562935 0.750002 0.499985 K\n0.762898 0.949998 0.100021 K\n0.237065 0.049998 0.900015 K\n0.437174 0.250018 0.500266 K\n0.637173 0.449999 0.100285 K\n0.837119 0.649986 0.699999 K\n0.037102 0.850002 0.299979 K\n0.300011 0.300000 0.900000 Al\n0.499989 0.500000 0.500000 Al\n0.499906 0.000039 0.500077 Cr\n0.699806 0.200081 0.099877 Cr\n0.900000 0.400000 0.700000 Cr\n0.100194 0.599919 0.300123 Cr\n0.300094 0.799961 0.899923 Cr\n0.100030 0.100010 0.299998 Cr\n0.699970 0.699990 0.100002 Cr\n0.900000 0.900000 0.700000 Cr\n0.568036 0.146914 0.407128 Mo\n0.768551 0.346245 0.006647 Mo\n0.968535 0.546234 0.606656 Mo\n0.168005 0.746903 0.207165 Mo\n0.368035 0.946909 0.807123 Mo\n0.275097 0.153101 0.992849 Mo\n0.473523 0.352733 0.595837 Mo\n0.673603 0.552722 0.195818 Mo\n0.875184 0.753085 0.792844 Mo\n0.075152 0.953096 0.392833 Mo\n0.631995 0.053097 0.192835 Mo\n0.831465 0.253766 0.793344 Mo\n0.031449 0.453755 0.393353 Mo\n0.231964 0.653086 0.992872 Mo\n0.431965 0.853091 0.592877 Mo\n0.924816 0.046915 0.607156 Mo\n0.126397 0.247278 0.204182 Mo\n0.326477 0.447267 0.804163 Mo\n0.524903 0.646899 0.407151 Mo\n0.724848 0.846904 0.007167 Mo\n0.660790 0.163870 0.230525 O\n0.859953 0.363794 0.831681 O\n0.060000 0.563761 0.431706 O\n0.260870 0.763822 0.030547 O\n0.460836 0.963852 0.630550 O\n0.191396 0.136167 0.169437 O\n0.388833 0.334838 0.771309 O\n0.588839 0.534835 0.371311 O\n0.791377 0.736159 0.969446 O\n0.991403 0.936164 0.569433 O\n0.539130 0.036178 0.369453 O\n0.740000 0.236239 0.968294 O\n0.940047 0.436206 0.568319 O\n0.139210 0.636130 0.169475 O\n0.339164 0.836148 0.769450 O\n0.008623 0.063841 0.430554 O\n0.211161 0.265165 0.028689 O\n0.411167 0.465162 0.628691 O\n0.608604 0.663833 0.230563 O\n0.808597 0.863836 0.830567 O\n0.443844 0.178583 0.553125 O\n0.645577 0.378156 0.152105 O\n0.845608 0.578157 0.752112 O\n0.043868 0.778584 0.353139 O\n0.243866 0.978585 0.953133 O\n0.297051 0.121417 0.846878 O\n0.496881 0.321545 0.447725 O\n0.696895 0.521541 0.047716 O\n0.897046 0.721413 0.646874 O\n0.097062 0.921415 0.246867 O\n0.756132 0.021416 0.046861 O\n0.954392 0.221843 0.647888 O\n0.154423 0.421844 0.247895 O\n0.356156 0.621417 0.846875 O\n0.556134 0.821415 0.446867 O\n0.902954 0.078587 0.753126 O\n0.103105 0.278459 0.352284 O\n0.303119 0.478455 0.952275 O\n0.502949 0.678583 0.553122 O\n0.702938 0.878585 0.153133 O\n0.830505 0.128950 0.445691 O\n0.037832 0.327998 0.038649 O\n0.237838 0.527993 0.638640 O\n0.430516 0.728942 0.245680 O\n0.630510 0.928947 0.845679 O\n0.576217 0.171058 0.954367 O\n0.774503 0.370933 0.555160 O\n0.974533 0.570932 0.155125 O\n0.176277 0.771045 0.754264 O\n0.376215 0.971069 0.354385 O\n0.369484 0.071058 0.154320 O\n0.562162 0.272007 0.761360 O\n0.762168 0.472002 0.361351 O\n0.969495 0.671050 0.954309 O\n0.169490 0.871053 0.554321 O\n0.623723 0.028955 0.645736 O\n0.825467 0.229068 0.244875 O\n0.025497 0.429067 0.844840 O\n0.223783 0.628942 0.445633 O\n0.423785 0.828931 0.045615 O\n0.332283 0.116501 0.411674 O\n0.527732 0.316552 0.007547 O\n0.727716 0.516548 0.607538 O\n0.932265 0.716496 0.211644 O\n0.132288 0.916498 0.811654 O\n0.043878 0.183514 0.988357 O\n0.244631 0.383333 0.588966 O\n0.444735 0.583321 0.188945 O\n0.644037 0.783495 0.788289 O\n0.843925 0.983510 0.388367 O\n0.867735 0.083504 0.188356 O\n0.072284 0.283452 0.792462 O\n0.272268 0.483448 0.392453 O\n0.467717 0.683499 0.988326 O\n0.667712 0.883502 0.588346 O\n0.155963 0.016505 0.611711 O\n0.355265 0.216679 0.211055 O\n0.555369 0.416667 0.811034 O\n0.756122 0.616486 0.411643 O\n0.956075 0.816490 0.011633 O\n",
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"elements": [
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"Cr",
"Mo",
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],
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"density": 3.2566886831843984,
"density_atomic": 0.05797196152785774,
"volume": 2069.966184296445,
"volume_molar": 10.388023108561079,
"formula_full": "K10 Al2 Cr8 Mo20 O80",
"formula_reduced": "K5AlCr4(MoO4)10",
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"energy": -971.4470998,
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"updated_at": "2021-11-28T01:38:04.073000Z",
"spacegroup": 2
},
{
"id": "mp-698350",
"created_at": "2022-09-04T14:39:23.024098Z",
"structure_string": "Na12 Al4 H40 C24 O68\n1.0\n6.283330 8.690610 0.000000\n-6.283330 8.690610 0.000000\n0.000000 2.575955 15.148310\nNa Al H C O\n12 4 40 24 68\ndirect\n0.492675 0.507325 0.750000 Na\n0.507325 0.492675 0.250000 Na\n0.769090 0.230910 0.750000 Na\n0.230910 0.769090 0.250000 Na\n0.160367 0.928129 0.999232 Na\n0.071871 0.839633 0.500768 Na\n0.839633 0.071871 0.000768 Na\n0.928129 0.160367 0.499232 Na\n0.492515 0.741905 0.987294 Na\n0.258095 0.507485 0.512706 Na\n0.507485 0.258095 0.012706 Na\n0.741905 0.492515 0.487294 Na\n0.321875 0.062737 0.769232 Al\n0.937263 0.678125 0.730768 Al\n0.678125 0.937263 0.230768 Al\n0.062737 0.321875 0.269232 Al\n0.728152 0.357792 0.944157 H\n0.642208 0.271848 0.555843 H\n0.271848 0.642208 0.055843 H\n0.357792 0.728152 0.444157 H\n0.721037 0.350364 0.049207 H\n0.649636 0.278963 0.450793 H\n0.278963 0.649636 0.950793 H\n0.350364 0.721037 0.549207 H\n0.992562 0.188669 0.093597 H\n0.811331 0.007438 0.406403 H\n0.007438 0.811331 0.906403 H\n0.188669 0.992562 0.593597 H\n0.024089 0.228506 0.994774 H\n0.771494 0.975911 0.505226 H\n0.975911 0.771494 0.005226 H\n0.228506 0.024089 0.494774 H\n0.344799 0.983796 0.083794 H\n0.016204 0.655201 0.416206 H\n0.655201 0.016204 0.916206 H\n0.983796 0.344799 0.583794 H\n0.381649 0.042597 0.988248 H\n0.957403 0.618351 0.511752 H\n0.618351 0.957403 0.011752 H\n0.042597 0.381649 0.488248 H\n0.212948 0.325322 0.999158 H\n0.674678 0.787052 0.500842 H\n0.787052 0.674678 0.000842 H\n0.325322 0.212948 0.499158 H\n0.253028 0.264069 0.093800 H\n0.735931 0.746972 0.406200 H\n0.746972 0.735931 0.906200 H\n0.264069 0.253028 0.593800 H\n0.002723 0.436811 0.894922 H\n0.563189 0.997277 0.605078 H\n0.997277 0.563189 0.105078 H\n0.436811 0.002723 0.394922 H\n0.128966 0.315919 0.878987 H\n0.684081 0.871034 0.621013 H\n0.871034 0.684081 0.121013 H\n0.315919 0.128966 0.378987 H\n0.444975 0.230436 0.812167 C\n0.769564 0.555025 0.687833 C\n0.555025 0.769564 0.187833 C\n0.230436 0.444975 0.312167 C\n0.500472 0.199612 0.716138 C\n0.800388 0.499528 0.783862 C\n0.499528 0.800388 0.283862 C\n0.199612 0.500472 0.216138 C\n0.385638 0.822334 0.704809 C\n0.177666 0.614362 0.795191 C\n0.614362 0.177666 0.295191 C\n0.822334 0.385638 0.204809 C\n0.453079 0.801295 0.791051 C\n0.198705 0.546921 0.708949 C\n0.546921 0.198705 0.208949 C\n0.801295 0.453079 0.291051 C\n0.073014 0.209044 0.731492 C\n0.790956 0.926986 0.768508 C\n0.926986 0.790956 0.268508 C\n0.209044 0.073014 0.231492 C\n0.054968 0.117827 0.816362 C\n0.882173 0.945032 0.683638 C\n0.945032 0.882173 0.183638 C\n0.117827 0.054968 0.316362 C\n0.354223 0.174938 0.843932 O\n0.825062 0.645777 0.656068 O\n0.645777 0.825062 0.156068 O\n0.174938 0.354223 0.343932 O\n0.458966 0.110886 0.689825 O\n0.889114 0.541034 0.810175 O\n0.541034 0.889114 0.310175 O\n0.110886 0.458966 0.189825 O\n0.489210 0.299149 0.850838 O\n0.700851 0.510790 0.649162 O\n0.510790 0.700851 0.149162 O\n0.299149 0.489210 0.350838 O\n0.578071 0.255802 0.673313 O\n0.744198 0.421929 0.826687 O\n0.421929 0.744198 0.326687 O\n0.255802 0.578071 0.173313 O\n0.312497 0.943431 0.688472 O\n0.056569 0.687503 0.811528 O\n0.687503 0.056569 0.311528 O\n0.943431 0.312497 0.188472 O\n0.431144 0.909932 0.827300 O\n0.090068 0.568856 0.672700 O\n0.568856 0.090068 0.172700 O\n0.909932 0.431144 0.327300 O\n0.402248 0.728997 0.660296 O\n0.271003 0.597752 0.839704 O\n0.597752 0.271003 0.339704 O\n0.728997 0.402248 0.160296 O\n0.517691 0.690246 0.821210 O\n0.309754 0.482309 0.678790 O\n0.482309 0.309754 0.178790 O\n0.690246 0.517691 0.321210 O\n0.195415 0.201528 0.707406 O\n0.798472 0.804585 0.792594 O\n0.804585 0.798472 0.292594 O\n0.201528 0.195415 0.207406 O\n0.166843 0.046558 0.845016 O\n0.953442 0.833157 0.654984 O\n0.833157 0.953442 0.154984 O\n0.046558 0.166843 0.345016 O\n0.976042 0.280237 0.694300 O\n0.719763 0.023958 0.805700 O\n0.023958 0.719763 0.305700 O\n0.280237 0.976043 0.194300 O\n0.942993 0.119322 0.850256 O\n0.880678 0.057007 0.649744 O\n0.057007 0.880678 0.149744 O\n0.119322 0.942993 0.350256 O\n0.704103 0.309296 0.000074 O\n0.690704 0.295897 0.499926 O\n0.295897 0.690704 0.999926 O\n0.309296 0.704103 0.500074 O\n0.019230 0.151099 0.036629 O\n0.848901 0.980770 0.463371 O\n0.980770 0.848901 0.963371 O\n0.151099 0.019230 0.536629 O\n0.370713 0.961890 0.021882 O\n0.038110 0.629287 0.478118 O\n0.629287 0.038110 0.978118 O\n0.961890 0.370713 0.521882 O\n0.288899 0.282999 0.032967 O\n0.717001 0.711101 0.467033 O\n0.711101 0.717001 0.967033 O\n0.282999 0.288899 0.532967 O\n0.071493 0.366022 0.925143 O\n0.633978 0.928507 0.574857 O\n0.928507 0.633978 0.074857 O\n0.366022 0.071493 0.425143 O\n",
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],
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"volume": 1654.3763389179944,
"volume_molar": 6.731680529038938,
"formula_full": "Na12 Al4 H40 C24 O68",
"formula_reduced": "Na3AlH10C6O17",
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"energy": -971.1018396,
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"updated_at": "2021-11-28T01:34:28.081000Z",
"spacegroup": 15
},
{
"id": "mp-779338",
"created_at": "2022-09-04T14:41:34.666679Z",
"structure_string": "Mn16 P24 O84\n1.0\n21.789302 0.000000 0.000000\n0.000000 7.553203 0.000000\n0.000000 7.390837 9.608721\nMn P O\n16 24 84\ndirect\n0.758640 0.328822 0.711827 Mn\n0.502166 0.777635 0.264032 Mn\n0.254032 0.282916 0.777647 Mn\n0.993475 0.809696 0.246968 Mn\n0.493475 0.190304 0.253032 Mn\n0.754032 0.717084 0.722353 Mn\n0.002166 0.222365 0.235968 Mn\n0.258640 0.671178 0.788173 Mn\n0.741360 0.328822 0.211827 Mn\n0.997834 0.777635 0.764032 Mn\n0.245968 0.282916 0.277647 Mn\n0.506525 0.809696 0.746968 Mn\n0.006525 0.190304 0.753032 Mn\n0.745968 0.717084 0.222353 Mn\n0.497834 0.222365 0.735968 Mn\n0.241360 0.671178 0.288173 Mn\n0.685414 0.239142 0.995101 P\n0.888213 0.401625 0.832804 P\n0.857502 0.087572 0.159508 P\n0.699513 0.797461 0.443963 P\n0.547183 0.290510 0.964759 P\n0.561311 0.723047 0.527693 P\n0.061311 0.276953 0.972307 P\n0.047183 0.709490 0.535241 P\n0.199513 0.202539 0.056037 P\n0.357502 0.912428 0.340492 P\n0.388213 0.598375 0.667196 P\n0.185414 0.760858 0.504899 P\n0.814586 0.239142 0.495101 P\n0.611787 0.401625 0.332804 P\n0.642498 0.087572 0.659508 P\n0.800487 0.797461 0.943963 P\n0.952817 0.290510 0.464759 P\n0.938689 0.723047 0.027693 P\n0.438689 0.276953 0.472307 P\n0.452817 0.709490 0.035241 P\n0.300487 0.202539 0.556037 P\n0.142498 0.912428 0.840492 P\n0.111787 0.598375 0.167196 P\n0.314586 0.760858 0.004899 P\n0.043782 0.465593 0.595953 O\n0.707848 0.686952 0.375040 O\n0.925743 0.278778 0.794238 O\n0.554750 0.476609 0.604317 O\n0.825331 0.875791 0.203754 O\n0.705251 0.996927 0.073848 O\n0.048651 0.184100 0.893579 O\n0.319149 0.759120 0.323473 O\n0.419085 0.398593 0.687876 O\n0.186969 0.663667 0.427856 O\n0.218842 0.965061 0.132844 O\n0.508782 0.223652 0.890808 O\n0.615215 0.230213 0.955226 O\n0.870988 0.227741 0.994976 O\n0.826425 0.478358 0.750087 O\n0.129576 0.208184 0.023839 O\n0.419241 0.972719 0.262522 O\n0.716879 0.396017 0.850931 O\n0.733315 0.654607 0.586771 O\n0.028941 0.863331 0.377483 O\n0.022390 0.146195 0.108939 O\n0.522390 0.853805 0.391061 O\n0.528941 0.136669 0.122517 O\n0.233315 0.345393 0.913229 O\n0.216879 0.603983 0.649069 O\n0.919241 0.027281 0.237478 O\n0.629576 0.791816 0.476161 O\n0.326425 0.521642 0.749913 O\n0.370988 0.772259 0.505024 O\n0.115215 0.769787 0.544774 O\n0.008782 0.776348 0.609192 O\n0.718842 0.034939 0.367156 O\n0.686969 0.336333 0.072144 O\n0.919085 0.601407 0.812124 O\n0.819149 0.240880 0.176527 O\n0.548651 0.815900 0.606421 O\n0.205251 0.003073 0.426152 O\n0.325331 0.124209 0.296246 O\n0.054750 0.523391 0.895683 O\n0.425743 0.721222 0.705762 O\n0.207848 0.313048 0.124960 O\n0.543782 0.534407 0.904047 O\n0.456218 0.465593 0.095953 O\n0.792152 0.686952 0.875040 O\n0.574257 0.278778 0.294238 O\n0.945250 0.476609 0.104317 O\n0.674669 0.875791 0.703754 O\n0.794749 0.996927 0.573848 O\n0.451349 0.184100 0.393579 O\n0.180851 0.759120 0.823473 O\n0.080915 0.398593 0.187876 O\n0.313031 0.663667 0.927856 O\n0.281158 0.965061 0.632844 O\n0.991218 0.223652 0.390808 O\n0.884785 0.230213 0.455226 O\n0.629012 0.227741 0.494976 O\n0.673575 0.478358 0.250087 O\n0.370424 0.208184 0.523839 O\n0.080759 0.972719 0.762522 O\n0.783121 0.396017 0.350931 O\n0.766685 0.654607 0.086771 O\n0.471059 0.863331 0.877483 O\n0.477610 0.146195 0.608939 O\n0.977610 0.853805 0.891061 O\n0.971059 0.136669 0.622517 O\n0.266685 0.345393 0.413229 O\n0.283121 0.603983 0.149069 O\n0.580759 0.027281 0.737478 O\n0.870424 0.791816 0.976161 O\n0.173575 0.521642 0.249913 O\n0.129012 0.772259 0.005024 O\n0.384785 0.769787 0.044774 O\n0.491218 0.776348 0.109192 O\n0.781158 0.034939 0.867156 O\n0.813031 0.336333 0.572144 O\n0.580915 0.601407 0.312124 O\n0.680851 0.240880 0.676527 O\n0.951349 0.815900 0.106421 O\n0.294749 0.003073 0.926152 O\n0.174669 0.124209 0.796246 O\n0.445250 0.523391 0.395683 O\n0.074257 0.721222 0.205762 O\n0.292152 0.313048 0.624960 O\n0.956218 0.534407 0.404047 O\n",
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"elements": [
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"formula_full": "Mn16 P24 O84",
"formula_reduced": "Mn4(P2O7)3",
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O\n0.016665 0.142596 0.526584 O\n0.292038 0.989755 0.916861 O\n0.207962 0.989755 0.416861 O\n0.707962 0.010245 0.083139 O\n0.792038 0.010245 0.583139 O\n0.654648 0.007840 0.874650 O\n0.845352 0.007840 0.374650 O\n0.345352 0.992160 0.125350 O\n0.154648 0.992160 0.625350 O\n0.758814 0.583111 0.104599 O\n0.741186 0.583111 0.604599 O\n0.241186 0.416889 0.895401 O\n0.258814 0.416889 0.395401 O\n0.516244 0.456519 0.161554 O\n0.983756 0.456519 0.661554 O\n0.483756 0.543481 0.838446 O\n0.016244 0.543481 0.338446 O\n0.437960 0.592708 0.171449 O\n0.062040 0.592708 0.671449 O\n0.562040 0.407292 0.828551 O\n0.937960 0.407292 0.328551 O\n0.918506 0.662724 0.181386 O\n0.581494 0.662724 0.681386 O\n0.081494 0.337276 0.818614 O\n0.418506 0.337276 0.318614 O\n0.750603 0.827624 0.137407 O\n0.749397 0.827624 0.637407 O\n0.249397 0.172376 0.862593 O\n0.250603 0.172376 0.362593 O\n0.091938 0.774220 0.228501 O\n0.408062 0.774220 0.728501 O\n0.908062 0.225780 0.771499 O\n0.591938 0.225780 0.271499 O\n0.908675 0.799763 0.017809 O\n0.591325 0.799763 0.517809 O\n0.091325 0.200237 0.982191 O\n0.408675 0.200237 0.482191 O\n0.267467 0.748384 0.103744 O\n0.232533 0.748384 0.603744 O\n0.732533 0.251616 0.896256 O\n0.767467 0.251616 0.396256 O\n0.102532 0.906422 0.065300 O\n0.397468 0.906422 0.565300 O\n0.897468 0.093578 0.934700 O\n0.602532 0.093578 0.434700 O\n",
"nsites": 172,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
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"O"
],
"chemical_system": "Al-C-H-O-S",
"density": 1.5992338253117473,
"density_atomic": 0.09851522457673505,
"volume": 1745.9230361498746,
"volume_molar": 6.112903651058787,
"formula_full": "Al4 H84 C12 S12 O60",
"formula_reduced": "AlH21C3(SO5)3",
"formula_anonymous": "AB3C3D15E21",
"energy": -969.87042112,
"energy_per_atom": -5.638781518139535,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.963000Z",
"spacegroup": 14
},
{
"id": "mp-1221694",
"created_at": "2022-09-04T14:48:16.532386Z",
"structure_string": "Na4 Sr24 H68 Pd8 O68\n1.0\n0.000000 -0.022112 -7.034946\n0.000000 -13.681591 -0.042642\n-19.760092 0.000000 0.000000\nNa Sr H Pd O\n4 24 68 8 68\ndirect\n0.247886 0.251906 0.999793 Na\n0.752114 0.248094 0.499793 Na\n0.752114 0.748094 0.000207 Na\n0.247886 0.751906 0.500207 Na\n0.064357 0.448887 0.913344 Sr\n0.562174 0.056790 0.583575 Sr\n0.935643 0.051113 0.413344 Sr\n0.437826 0.443210 0.083575 Sr\n0.935643 0.551113 0.086656 Sr\n0.437826 0.943210 0.416425 Sr\n0.064357 0.948887 0.586656 Sr\n0.562174 0.556790 0.916425 Sr\n0.448411 0.252196 0.714111 Sr\n0.948106 0.248858 0.785829 Sr\n0.551589 0.247804 0.214111 Sr\n0.051894 0.251142 0.285829 Sr\n0.551589 0.747804 0.285889 Sr\n0.051894 0.751142 0.214171 Sr\n0.448411 0.752196 0.785889 Sr\n0.948106 0.748858 0.714171 Sr\n0.082427 0.064099 0.914691 Sr\n0.582933 0.435649 0.585612 Sr\n0.917573 0.435901 0.414691 Sr\n0.417067 0.064351 0.085612 Sr\n0.917573 0.935901 0.085309 Sr\n0.417067 0.564351 0.414388 Sr\n0.082427 0.564099 0.585309 Sr\n0.582933 0.935649 0.914388 Sr\n0.325499 0.367159 0.834566 H\n0.824602 0.133059 0.665171 H\n0.674501 0.132841 0.334566 H\n0.175398 0.366941 0.165171 H\n0.674501 0.632841 0.165434 H\n0.175398 0.866941 0.334829 H\n0.325499 0.867159 0.665434 H\n0.824602 0.633059 0.834829 H\n0.363353 0.148849 0.822524 H\n0.863248 0.350538 0.677833 H\n0.636647 0.351151 0.322524 H\n0.136752 0.149462 0.177833 H\n0.636647 0.851151 0.177476 H\n0.136752 0.649462 0.322167 H\n0.363353 0.648849 0.677476 H\n0.863248 0.850538 0.822167 H\n0.374361 0.251093 0.571316 H\n0.869452 0.245697 0.926814 H\n0.625639 0.248907 0.071316 H\n0.130548 0.254303 0.426814 H\n0.625639 0.748907 0.428684 H\n0.130548 0.754303 0.073186 H\n0.374361 0.751093 0.928684 H\n0.869452 0.745697 0.573186 H\n0.522492 0.369403 0.944927 H\n0.024463 0.133102 0.556654 H\n0.477508 0.130597 0.444927 H\n0.975537 0.366898 0.056654 H\n0.477508 0.630597 0.055073 H\n0.975537 0.866898 0.443346 H\n0.522492 0.869403 0.555073 H\n0.024463 0.633102 0.943346 H\n0.020599 0.229624 0.633189 H\n0.520001 0.270985 0.867336 H\n0.979401 0.270376 0.133189 H\n0.479999 0.229015 0.367336 H\n0.979401 0.770376 0.366811 H\n0.479999 0.729015 0.132664 H\n0.020599 0.729624 0.866811 H\n0.520001 0.770985 0.632664 H\n0.184817 0.125641 0.664508 H\n0.683388 0.376331 0.836132 H\n0.815183 0.374359 0.164508 H\n0.316612 0.123669 0.336132 H\n0.815183 0.874359 0.335492 H\n0.316612 0.623669 0.163868 H\n0.184817 0.625641 0.835492 H\n0.683388 0.876331 0.663868 H\n0.494843 0.137940 0.929444 H\n0.995457 0.361665 0.570383 H\n0.505157 0.362060 0.429444 H\n0.004543 0.138335 0.070383 H\n0.505157 0.862060 0.070556 H\n0.004543 0.638335 0.429617 H\n0.494843 0.637940 0.570556 H\n0.995457 0.861665 0.929617 H\n0.188132 0.372173 0.655205 H\n0.688699 0.128032 0.844645 H\n0.811868 0.127827 0.155205 H\n0.311301 0.371968 0.344645 H\n0.811868 0.627827 0.344795 H\n0.311301 0.871968 0.155355 H\n0.188132 0.872173 0.844795 H\n0.688699 0.628032 0.655355 H\n0.230415 0.633746 0.011542 H\n0.769585 0.866254 0.511542 H\n0.769585 0.366254 0.988458 H\n0.230415 0.133746 0.488458 H\n0.258286 0.999226 0.753879 Pd\n0.758283 0.501400 0.746438 Pd\n0.741714 0.500774 0.253879 Pd\n0.241717 0.998600 0.246438 Pd\n0.741714 0.000774 0.246121 Pd\n0.241717 0.498600 0.253562 Pd\n0.258286 0.499226 0.746121 Pd\n0.758283 0.001400 0.753562 Pd\n0.241244 0.133622 0.800535 O\n0.741381 0.366690 0.700113 O\n0.758756 0.366378 0.300535 O\n0.258619 0.133310 0.200113 O\n0.758756 0.866378 0.199465 O\n0.258619 0.633310 0.299887 O\n0.241244 0.633622 0.699465 O\n0.741381 0.866690 0.799887 O\n0.270285 0.432555 0.652809 O\n0.771069 0.067329 0.847194 O\n0.729715 0.067445 0.152809 O\n0.228931 0.432671 0.347194 O\n0.729715 0.567445 0.347191 O\n0.228931 0.932671 0.152806 O\n0.270285 0.932555 0.847191 O\n0.771069 0.567329 0.652806 O\n0.507206 0.246547 0.584952 O\n0.002863 0.256607 0.916196 O\n0.492794 0.253453 0.084952 O\n0.997137 0.243393 0.416196 O\n0.492794 0.753453 0.415048 O\n0.997137 0.743393 0.083804 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O\n0.403836 0.263130 0.333054 O\n0.904276 0.735679 0.332614 O\n0.403836 0.763130 0.166946 O\n0.095724 0.764321 0.832614 O\n0.596164 0.736870 0.666946 O\n0.422395 0.092958 0.957310 O\n0.924162 0.407599 0.542509 O\n0.577605 0.407042 0.457310 O\n0.075838 0.092401 0.042509 O\n0.577605 0.907042 0.042690 O\n0.075838 0.592401 0.457491 O\n0.422395 0.592958 0.542690 O\n0.924162 0.907599 0.957491 O\n",
"nsites": 172,
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"elements": [
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],
"chemical_system": "H-Na-O-Pd-Sr",
"density": 3.6694013964604086,
"density_atomic": 0.09043704586732366,
"volume": 1901.875479793246,
"volume_molar": 6.6589313065741065,
"formula_full": "Na4 Sr24 H68 Pd8 O68",
"formula_reduced": "NaSr6H17Pd2O17",
"formula_anonymous": "AB2C6D17E17",
"energy": -969.43053964,
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"energy_uncorrected": -922.71453964,
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"total_magnetization": 2.27e-05,
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"updated_at": "2021-11-28T01:38:54.805000Z",
"spacegroup": 14
},
{
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{
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}