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{
"id": "mp-1260",
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"structure_string": "Sr1 Pd5\n1.0\n2.730295 -4.729010 0.000000\n2.730295 4.729010 0.000000\n0.000000 0.000000 4.464369\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n",
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{
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},
{
"id": "mp-1187190",
"created_at": "2022-09-04T14:46:42.110093Z",
"structure_string": "Sr1 Pd1 O3\n1.0\n4.039472 0.000000 0.000000\n0.000000 4.039472 0.000000\n0.000000 0.000000 4.039472\nSr Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"formula_full": "Sr1 Pd1 O3",
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"updated_at": "2021-11-28T01:37:48.440000Z",
"spacegroup": 221
},
{
"id": "mp-1201697",
"created_at": "2022-09-04T14:41:52.679109Z",
"structure_string": "Sr4 P4 H40 S12 O20\n1.0\n8.476207 0.000000 0.000000\n-0.295427 9.291872 0.000000\n-2.328362 -0.453624 12.700956\nSr P H S O\n4 4 40 12 20\ndirect\n0.004672 0.503244 0.323257 Sr\n0.995328 0.496756 0.676743 Sr\n0.481970 0.993314 0.818073 Sr\n0.518030 0.006686 0.181927 Sr\n0.106647 0.425984 0.011194 P\n0.893353 0.574016 0.988806 P\n0.454236 0.113995 0.498463 P\n0.545764 0.886005 0.501537 P\n0.664483 0.638855 0.343949 H\n0.335517 0.361145 0.656051 H\n0.717459 0.535350 0.434762 H\n0.282541 0.464650 0.565238 H\n0.891849 0.160084 0.267444 H\n0.108151 0.839916 0.732556 H\n0.938300 0.241935 0.169635 H\n0.061700 0.758065 0.830365 H\n0.636166 0.597176 0.596106 H\n0.363834 0.402824 0.403894 H\n0.636692 0.426704 0.587508 H\n0.363308 0.573296 0.412492 H\n0.149194 0.816821 0.305684 H\n0.850806 0.183179 0.694316 H\n0.045761 0.774383 0.194995 H\n0.954239 0.225617 0.805005 H\n0.025081 0.261579 0.492584 H\n0.974919 0.738421 0.507416 H\n0.837350 0.284481 0.466189 H\n0.162650 0.715519 0.533811 H\n0.610234 0.326976 0.115221 H\n0.389766 0.673024 0.884779 H\n0.436930 0.328666 0.142433 H\n0.563070 0.671334 0.857567 H\n0.523374 0.709643 0.067146 H\n0.476626 0.290357 0.932854 H\n0.630990 0.318469 0.885040 H\n0.369010 0.681531 0.114960 H\n0.833712 0.881880 0.849377 H\n0.166288 0.118120 0.150623 H\n0.780905 0.915698 0.728827 H\n0.219095 0.084302 0.271173 H\n0.885721 0.910569 0.277745 H\n0.114279 0.089431 0.722255 H\n0.796514 0.972105 0.365236 H\n0.203486 0.027895 0.634764 H\n0.743457 0.083362 0.017393 H\n0.256543 0.916638 0.982607 H\n0.772103 0.918185 0.027276 H\n0.227897 0.081815 0.972724 H\n0.768855 0.542675 0.106039 S\n0.231145 0.457325 0.893961 S\n0.235746 0.478923 0.156549 S\n0.764254 0.521077 0.843451 S\n0.009089 0.219177 0.000916 S\n0.990911 0.780823 0.999084 S\n0.453405 0.779876 0.613343 S\n0.546595 0.220124 0.386657 S\n0.211229 0.084857 0.465748 S\n0.788771 0.915143 0.534252 S\n0.540001 0.207375 0.644339 S\n0.459999 0.792625 0.355661 S\n0.738520 0.561318 0.365121 O\n0.261480 0.438682 0.634879 O\n0.928682 0.254289 0.244627 O\n0.071318 0.745711 0.755373 O\n0.300558 0.484523 0.423190 O\n0.699442 0.515477 0.576810 O\n0.043116 0.776416 0.271263 O\n0.956884 0.223584 0.728737 O\n0.057126 0.663764 0.512433 O\n0.942874 0.336236 0.487567 O\n0.520169 0.263443 0.126036 O\n0.479831 0.736557 0.873964 O\n0.557996 0.240953 0.901620 O\n0.442004 0.759047 0.098380 O\n0.769290 0.946044 0.800556 O\n0.230710 0.053956 0.199444 O\n0.192132 0.016174 0.709682 O\n0.807868 0.983826 0.290318 O\n0.310170 0.008178 0.970704 O\n0.689830 0.991822 0.029296 O\n",
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"elements": [
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"H",
"S",
"O"
],
"chemical_system": "H-O-P-S-Sr",
"density": 2.024303860759524,
"density_atomic": 0.07997399712544472,
"volume": 1000.3251416146487,
"volume_molar": 7.530123510712936,
"formula_full": "Sr4 P4 H40 S12 O20",
"formula_reduced": "SrPH10S3O5",
"formula_anonymous": "ABC3D5E10",
"energy": -416.40750582,
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"updated_at": "2021-11-28T01:35:38.192000Z",
"spacegroup": 2
},
{
"id": "mp-24171",
"created_at": "2022-09-04T14:40:13.771754Z",
"structure_string": "Sr4 P4 H12 O16\n1.0\n7.157886 0.000000 0.000000\n0.000000 7.688412 0.000000\n0.000000 2.611258 7.815690\nSr P H O\n4 4 12 16\ndirect\n0.359685 0.626466 0.654025 Sr\n0.859685 0.373534 0.845975 Sr\n0.640315 0.373534 0.345975 Sr\n0.140315 0.626466 0.154025 Sr\n0.348823 0.272144 0.005013 P\n0.848823 0.727856 0.494987 P\n0.651177 0.727856 0.994987 P\n0.151177 0.272144 0.505013 P\n0.260944 0.111213 0.995689 H\n0.760944 0.888787 0.504311 H\n0.739056 0.888787 0.004311 H\n0.239056 0.111213 0.495689 H\n0.394003 0.995838 0.298444 H\n0.894003 0.004162 0.201556 H\n0.605997 0.004162 0.701556 H\n0.105997 0.995838 0.798444 H\n0.547000 0.191894 0.727669 H\n0.047000 0.808106 0.772331 H\n0.453000 0.808106 0.272331 H\n0.953000 0.191894 0.227669 H\n0.200392 0.427440 0.957665 O\n0.116267 0.859986 0.850909 O\n0.883733 0.140014 0.149091 O\n0.383733 0.859986 0.350909 O\n0.996624 0.320585 0.366194 O\n0.496624 0.679415 0.133806 O\n0.003376 0.679415 0.633806 O\n0.503376 0.320585 0.866194 O\n0.077828 0.227746 0.688262 O\n0.577828 0.772254 0.811738 O\n0.922172 0.772254 0.311738 O\n0.422172 0.227746 0.188262 O\n0.799608 0.572560 0.042335 O\n0.299608 0.427440 0.457665 O\n0.616267 0.140014 0.649091 O\n0.700392 0.572560 0.542335 O\n",
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"elements": [
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"density": 2.8663804549709337,
"density_atomic": 0.08369774364556981,
"volume": 430.1191218779708,
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"formula_full": "Sr4 P4 H12 O16",
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"spacegroup": 14
},
{
"id": "mp-1203131",
"created_at": "2022-09-04T14:40:35.577824Z",
"structure_string": "Sr8 P8 H56 C8 O48\n1.0\n8.221516 0.000000 0.000000\n0.000000 9.358570 0.000000\n0.000000 0.000000 20.574438\nSr P H C O\n8 8 56 8 48\ndirect\n0.239434 0.337908 0.233441 Sr\n0.739434 0.162092 0.766559 Sr\n0.760566 0.837908 0.266559 Sr\n0.260566 0.662092 0.733441 Sr\n0.760566 0.662092 0.766559 Sr\n0.260566 0.837908 0.233441 Sr\n0.239434 0.162092 0.733441 Sr\n0.739434 0.337908 0.266559 Sr\n0.093764 0.577901 0.329493 P\n0.593764 0.922099 0.670507 P\n0.906236 0.077901 0.170507 P\n0.406236 0.422099 0.829493 P\n0.906236 0.422099 0.670507 P\n0.406236 0.077901 0.329493 P\n0.093764 0.922099 0.829493 P\n0.593764 0.577901 0.170507 P\n0.542065 0.303577 0.408341 H\n0.042065 0.196423 0.591659 H\n0.457935 0.803577 0.091659 H\n0.957935 0.696423 0.908341 H\n0.457935 0.696423 0.591659 H\n0.957935 0.803577 0.408341 H\n0.542065 0.196423 0.908341 H\n0.042065 0.303577 0.091659 H\n0.956677 0.155195 0.487822 H\n0.456677 0.344805 0.512178 H\n0.043323 0.655195 0.012178 H\n0.543323 0.844805 0.987822 H\n0.043323 0.844805 0.512178 H\n0.543323 0.655195 0.487822 H\n0.956677 0.344805 0.987822 H\n0.456677 0.155195 0.012178 H\n0.890991 0.192623 0.416414 H\n0.390991 0.307377 0.583586 H\n0.109009 0.692623 0.083586 H\n0.609009 0.807377 0.916414 H\n0.109009 0.807377 0.583586 H\n0.609009 0.692623 0.416414 H\n0.890991 0.307377 0.916414 H\n0.390991 0.192623 0.083586 H\n0.595634 0.447774 0.443906 H\n0.095634 0.052226 0.556094 H\n0.404366 0.947774 0.056094 H\n0.904366 0.552226 0.943906 H\n0.404366 0.552226 0.556094 H\n0.904366 0.947774 0.443906 H\n0.595634 0.052226 0.943906 H\n0.095634 0.447774 0.056094 H\n0.228860 0.448133 0.414586 H\n0.728860 0.051867 0.585414 H\n0.771140 0.948133 0.085414 H\n0.271140 0.551867 0.914586 H\n0.771140 0.551867 0.585414 H\n0.271140 0.948133 0.414586 H\n0.228860 0.051867 0.914586 H\n0.728860 0.448133 0.085414 H\n0.222029 0.633969 0.433883 H\n0.722029 0.866031 0.566117 H\n0.777971 0.133969 0.066117 H\n0.277971 0.366031 0.933883 H\n0.777971 0.366031 0.566117 H\n0.277971 0.133969 0.433883 H\n0.222029 0.866031 0.933883 H\n0.722029 0.633969 0.066117 H\n0.041893 0.527708 0.440214 H\n0.541893 0.972292 0.559786 H\n0.958107 0.027708 0.059786 H\n0.458107 0.472292 0.940214 H\n0.958107 0.472292 0.559786 H\n0.458107 0.027708 0.440214 H\n0.041893 0.972292 0.940214 H\n0.541893 0.527708 0.059786 H\n0.154009 0.545039 0.412337 C\n0.654009 0.954961 0.587663 C\n0.845991 0.045039 0.087663 C\n0.345991 0.454961 0.912337 C\n0.845991 0.454961 0.587663 C\n0.345991 0.045039 0.412337 C\n0.154009 0.954961 0.912337 C\n0.654009 0.545039 0.087663 C\n0.351844 0.090499 0.188240 O\n0.851844 0.409501 0.811760 O\n0.648156 0.590499 0.311760 O\n0.148156 0.909501 0.688240 O\n0.648156 0.909501 0.811760 O\n0.148156 0.590499 0.188240 O\n0.351844 0.409501 0.688240 O\n0.851844 0.090499 0.311760 O\n0.005005 0.442784 0.305115 O\n0.505005 0.057216 0.694885 O\n0.994995 0.942784 0.194885 O\n0.494995 0.557216 0.805115 O\n0.994995 0.557216 0.694885 O\n0.494995 0.942784 0.305115 O\n0.005005 0.057216 0.805115 O\n0.505005 0.442784 0.194885 O\n0.999495 0.719799 0.324475 O\n0.499495 0.780201 0.675525 O\n0.000505 0.219799 0.175525 O\n0.500505 0.280201 0.824475 O\n0.000505 0.280201 0.675525 O\n0.500505 0.219799 0.324475 O\n0.999495 0.780201 0.824475 O\n0.499495 0.719799 0.175525 O\n0.257848 0.591621 0.289665 O\n0.757848 0.908379 0.710335 O\n0.742152 0.091621 0.210335 O\n0.242152 0.408379 0.789665 O\n0.742152 0.408379 0.710335 O\n0.242152 0.091621 0.289665 O\n0.257848 0.908379 0.789665 O\n0.757848 0.591621 0.210335 O\n0.584095 0.341747 0.449425 O\n0.084095 0.158253 0.550575 O\n0.415905 0.841747 0.050575 O\n0.915905 0.658253 0.949425 O\n0.415905 0.658253 0.550575 O\n0.915905 0.841747 0.449425 O\n0.584095 0.158253 0.949425 O\n0.084095 0.341747 0.050575 O\n0.881138 0.124779 0.451864 O\n0.381138 0.375221 0.548136 O\n0.118862 0.624779 0.048136 O\n0.618862 0.875221 0.951864 O\n0.118862 0.875221 0.548136 O\n0.618862 0.624779 0.451864 O\n0.881138 0.375221 0.951864 O\n0.381138 0.124779 0.048136 O\n",
"nsites": 128,
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"volume": 1583.0308576151274,
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"formula_full": "Sr8 P8 H56 C8 O48",
"formula_reduced": "SrPH7CO6",
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},
{
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}