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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=34",
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"results": [
{
"id": "oqmd-25860",
"created_at": "2022-09-04T15:52:19.808628Z",
"updated_at": "2022-09-04T15:52:19.808655Z",
"structure_string": "Rb4 Li4 H48 Se12 N16\n1.0\n9.692960 -2.950297 0.000000\n9.692960 2.950297 0.000000\n-7.785186 0.000000 18.471924\nH Li N Rb Se\n48 4 16 4 12\ndirect\n0.242769 0.239274 0.003625 H\n0.598904 0.624373 0.008043 H\n0.163272 0.924710 0.042295 H\n0.462206 0.463945 0.068718 H\n0.394890 0.361869 0.069602 H\n0.927205 0.636573 0.072328 H\n0.261955 0.007564 0.074248 H\n0.657608 0.927075 0.075082 H\n0.983820 0.201411 0.077701 H\n0.884216 0.150836 0.147151 H\n0.162139 0.875061 0.163833 H\n0.934172 0.993563 0.186097 H\n0.006437 0.065828 0.313903 H\n0.124939 0.837860 0.336167 H\n0.849164 0.115784 0.352849 H\n0.798589 0.016180 0.422299 H\n0.072924 0.342392 0.424918 H\n0.992436 0.738045 0.425752 H\n0.363427 0.072795 0.427672 H\n0.638130 0.605110 0.430398 H\n0.536055 0.537794 0.431282 H\n0.075290 0.836728 0.457705 H\n0.375627 0.401096 0.491957 H\n0.760726 0.757231 0.496375 H\n0.239274 0.242769 0.503625 H\n0.624373 0.598904 0.508043 H\n0.924710 0.163272 0.542295 H\n0.463944 0.462206 0.568718 H\n0.361870 0.394890 0.569602 H\n0.636574 0.927205 0.572328 H\n0.007564 0.261955 0.574248 H\n0.927076 0.657608 0.575082 H\n0.201411 0.983820 0.577701 H\n0.150835 0.884216 0.647151 H\n0.875061 0.162140 0.663833 H\n0.993563 0.934172 0.686097 H\n0.065828 0.006437 0.813903 H\n0.837860 0.124939 0.836167 H\n0.115784 0.849164 0.852849 H\n0.016180 0.798589 0.922299 H\n0.342392 0.072924 0.924918 H\n0.738045 0.992436 0.925752 H\n0.072795 0.363426 0.927672 H\n0.605110 0.638131 0.930398 H\n0.537794 0.536056 0.931282 H\n0.836728 0.075290 0.957705 H\n0.401095 0.375627 0.991957 H\n0.757231 0.760726 0.996375 H\n0.992793 0.808259 0.048852 Li\n0.191741 0.007207 0.451148 Li\n0.808259 0.992793 0.548852 Li\n0.007207 0.191741 0.951148 Li\n0.352435 0.464885 0.042843 N\n0.117554 0.061980 0.044375 N\n0.808205 0.787400 0.048723 N\n0.988195 0.980592 0.147092 N\n0.019408 0.011806 0.352908 N\n0.212600 0.191795 0.451277 N\n0.938019 0.882445 0.455624 N\n0.535115 0.647565 0.457156 N\n0.464885 0.352435 0.542843 N\n0.061980 0.117554 0.544375 N\n0.787400 0.808205 0.548723 N\n0.980592 0.988195 0.647092 N\n0.011805 0.019408 0.852908 N\n0.191795 0.212600 0.951277 N\n0.882446 0.938020 0.955625 N\n0.647565 0.535115 0.957156 N\n0.830866 0.794571 0.239730 Rb\n0.205429 0.169134 0.260270 Rb\n0.794571 0.830866 0.739730 Rb\n0.169134 0.205429 0.760270 Rb\n0.293579 0.267100 0.141752 Se\n0.634289 0.580617 0.156213 Se\n0.423940 0.386941 0.230141 Se\n0.613059 0.576059 0.269859 Se\n0.419384 0.365711 0.343788 Se\n0.732900 0.706421 0.358248 Se\n0.267100 0.293579 0.641752 Se\n0.580616 0.634289 0.656213 Se\n0.386941 0.423940 0.730141 Se\n0.576060 0.613059 0.769860 Se\n0.365711 0.419384 0.843788 Se\n0.706421 0.732900 0.858248 Se\n",
"nsites": 84,
"nelements": 5,
"elements": [
"H",
"Li",
"N",
"Rb",
"Se"
],
"chemical_system": "H-Li-N-Rb-Se",
"density": 2.4985299203514626,
"density_atomic": 0.0795087634367697,
"volume": 1056.4873149712862,
"volume_molar": 7.574184907037549,
"formula_full": "Rb4 Li4 H48 Se12 N16",
"formula_reduced": "RbLiH12Se3N4",
"formula_anonymous": "ABC3D4E12",
"formation_energy": -0.5009546761944819,
"spacegroup": 15
},
{
"id": "oqmd-689055",
"created_at": "2022-09-04T15:52:19.717589Z",
"updated_at": "2022-09-04T15:52:19.717617Z",
"structure_string": "H48 C16 S8 Br4 N4 O4\n1.0\n9.646792 0.000000 0.000000\n0.000000 7.752956 0.000000\n0.000000 0.000000 11.545773\nBr C H N O S\n4 16 48 4 4 8\ndirect\n0.228643 0.250000 0.131215 Br\n0.728642 0.250000 0.368785 Br\n0.271358 0.750000 0.631215 Br\n0.771357 0.750000 0.868785 Br\n0.862908 0.073088 0.089958 C\n0.862908 0.426912 0.089958 C\n0.517530 0.574592 0.148246 C\n0.517530 0.925408 0.148246 C\n0.017529 0.574592 0.351755 C\n0.017529 0.925408 0.351755 C\n0.362907 0.073088 0.410043 C\n0.362907 0.426912 0.410043 C\n0.637093 0.573088 0.589957 C\n0.637093 0.926912 0.589957 C\n0.982471 0.074592 0.648245 C\n0.982471 0.425408 0.648245 C\n0.482470 0.074592 0.851754 C\n0.482470 0.425408 0.851754 C\n0.137092 0.573088 0.910042 C\n0.137092 0.926912 0.910042 C\n0.838978 0.544155 0.039980 H\n0.838978 0.955846 0.039980 H\n0.586110 0.590938 0.073303 H\n0.586110 0.909062 0.073303 H\n0.973899 0.083913 0.110847 H\n0.973899 0.416088 0.110847 H\n0.456151 0.044502 0.142147 H\n0.456151 0.455499 0.142147 H\n0.799380 0.086455 0.168737 H\n0.799380 0.413545 0.168737 H\n0.575307 0.579099 0.230128 H\n0.575307 0.920902 0.230128 H\n0.075307 0.579099 0.269873 H\n0.075307 0.920902 0.269873 H\n0.299379 0.086455 0.331263 H\n0.299379 0.413545 0.331263 H\n0.956150 0.044502 0.357853 H\n0.956150 0.455499 0.357853 H\n0.473898 0.083913 0.389154 H\n0.473898 0.416088 0.389154 H\n0.086109 0.590938 0.426697 H\n0.086109 0.909062 0.426697 H\n0.338978 0.544155 0.460020 H\n0.338978 0.955846 0.460020 H\n0.661022 0.044155 0.539979 H\n0.661022 0.455845 0.539979 H\n0.913890 0.090938 0.573302 H\n0.913890 0.409062 0.573302 H\n0.526101 0.583913 0.610846 H\n0.526101 0.916088 0.610846 H\n0.043850 0.544502 0.642147 H\n0.043850 0.955499 0.642147 H\n0.700620 0.586455 0.668737 H\n0.700620 0.913546 0.668737 H\n0.924693 0.079099 0.730127 H\n0.924693 0.420901 0.730127 H\n0.424692 0.079099 0.769872 H\n0.424692 0.420901 0.769872 H\n0.200620 0.586455 0.831263 H\n0.200620 0.913546 0.831263 H\n0.543849 0.544502 0.857852 H\n0.543849 0.955499 0.857852 H\n0.026101 0.583913 0.889153 H\n0.026101 0.916088 0.889153 H\n0.413890 0.090938 0.926697 H\n0.413890 0.409062 0.926697 H\n0.161021 0.044155 0.960020 H\n0.161021 0.455845 0.960020 H\n0.338465 0.750000 0.017029 N\n0.838464 0.750000 0.482972 N\n0.161536 0.250000 0.517028 N\n0.661535 0.250000 0.982971 N\n0.087767 0.750000 0.102857 O\n0.587766 0.750000 0.397144 O\n0.412233 0.250000 0.602856 O\n0.912233 0.250000 0.897143 O\n0.824440 0.250000 0.000147 S\n0.397586 0.750000 0.149999 S\n0.897585 0.750000 0.350001 S\n0.324440 0.250000 0.499852 S\n0.675559 0.750000 0.500148 S\n0.102414 0.250000 0.649999 S\n0.602414 0.250000 0.850000 S\n0.175560 0.750000 0.999853 S\n",
"nsites": 84,
"nelements": 6,
"elements": [
"Br",
"C",
"H",
"N",
"O",
"S"
],
"chemical_system": "Br-C-H-N-O-S",
"density": 1.8012843125955347,
"density_atomic": 0.0972760747147987,
"volume": 863.5216855354979,
"volume_molar": 6.190772785246696,
"formula_full": "H48 C16 S8 Br4 N4 O4",
"formula_reduced": "H12C4S2BrNO",
"formula_anonymous": "ABCD2E4F12",
"formation_energy": -0.2419983923988052,
"spacegroup": 62
},
{
"id": "oqmd-1102862",
"created_at": "2022-09-04T15:34:42.603717Z",
"updated_at": "2022-09-04T15:34:42.603747Z",
"structure_string": "Gd12 Si12 H12 O48\n1.0\n9.480409 0.000000 0.000000\n-4.740204 8.210275 0.000000\n0.000000 0.000000 13.385757\nGd H O Si\n12 12 48 12\ndirect\n0.739586 0.260415 0.166667 Gd\n0.284525 0.284525 0.166667 Gd\n0.715475 0.715475 0.166667 Gd\n0.260415 0.739585 0.166667 Gd\n0.284525 0.000000 0.500000 Gd\n0.715475 0.000000 0.500000 Gd\n0.739586 0.479172 0.500000 Gd\n0.260415 0.520829 0.500000 Gd\n0.520830 0.260415 0.833334 Gd\n0.000000 0.284525 0.833334 Gd\n0.000000 0.715475 0.833334 Gd\n0.479171 0.739585 0.833334 Gd\n0.500001 0.000000 0.000000 H\n0.500000 0.500000 0.004717 H\n0.000000 0.000000 0.166667 H\n0.500000 0.500000 0.328617 H\n0.000000 0.500000 0.333333 H\n0.500001 0.000000 0.338050 H\n0.000000 0.000000 0.500000 H\n0.500001 0.000000 0.661950 H\n0.500000 0.500000 0.666667 H\n0.000000 0.500000 0.671384 H\n0.000000 0.000000 0.833334 H\n0.000000 0.500000 0.995283 H\n0.357335 0.383745 0.006778 O\n0.642666 0.616256 0.006778 O\n0.706050 0.139684 0.026162 O\n0.293951 0.860316 0.026162 O\n0.169425 0.044084 0.098664 O\n0.830576 0.955918 0.098664 O\n0.750312 0.483828 0.116256 O\n0.249688 0.516173 0.116256 O\n0.516172 0.249688 0.217079 O\n0.483826 0.750311 0.217079 O\n0.044083 0.169424 0.234670 O\n0.955917 0.830575 0.234670 O\n0.860316 0.293950 0.307171 O\n0.139683 0.706049 0.307171 O\n0.383745 0.357335 0.326555 O\n0.616255 0.642665 0.326555 O\n0.383745 0.026411 0.340111 O\n0.616256 0.973590 0.340111 O\n0.139683 0.433633 0.359496 O\n0.860316 0.566366 0.359496 O\n0.955916 0.125342 0.431997 O\n0.044083 0.874659 0.431997 O\n0.516173 0.266484 0.449588 O\n0.483828 0.733516 0.449588 O\n0.750312 0.266484 0.550411 O\n0.249688 0.733516 0.550411 O\n0.169425 0.125342 0.568002 O\n0.830576 0.874659 0.568002 O\n0.293951 0.433633 0.640505 O\n0.706049 0.566366 0.640505 O\n0.642666 0.026411 0.659889 O\n0.357334 0.973590 0.659889 O\n0.973590 0.357335 0.673444 O\n0.026411 0.642665 0.673444 O\n0.433633 0.293950 0.692829 O\n0.566367 0.706049 0.692829 O\n0.125341 0.169424 0.765331 O\n0.874658 0.830575 0.765331 O\n0.733515 0.249688 0.782922 O\n0.266485 0.750311 0.782922 O\n0.733516 0.483828 0.883745 O\n0.266485 0.516173 0.883745 O\n0.874658 0.044084 0.901336 O\n0.125342 0.955918 0.901336 O\n0.433634 0.139684 0.973837 O\n0.566365 0.860316 0.973837 O\n0.026410 0.383745 0.993222 O\n0.973591 0.616256 0.993222 O\n0.243757 0.000000 0.000000 Si\n0.756243 0.000000 0.000000 Si\n0.229986 0.459971 0.000000 Si\n0.770015 0.540029 0.000000 Si\n0.459970 0.229985 0.333333 Si\n0.000000 0.243758 0.333333 Si\n0.000000 0.756243 0.333333 Si\n0.540029 0.770014 0.333333 Si\n0.770015 0.229985 0.666667 Si\n0.243758 0.243758 0.666667 Si\n0.756243 0.756243 0.666667 Si\n0.229985 0.770014 0.666667 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Gd",
"H",
"O",
"Si"
],
"chemical_system": "Gd-H-O-Si",
"density": 4.787785455703731,
"density_atomic": 0.08062162946604684,
"volume": 1041.9040219892347,
"volume_molar": 7.46963414146346,
"formula_full": "Gd12 Si12 H12 O48",
"formula_reduced": "GdSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.51663442176655,
"spacegroup": 181
},
{
"id": "oqmd-1101066",
"created_at": "2022-09-04T15:34:26.343461Z",
"updated_at": "2022-09-04T15:34:26.343495Z",
"structure_string": "Pr12 Si12 H12 O48\n1.0\n0.000077 13.173103 0.000000\n-0.000003 0.000000 16.031686\n4.438284 0.000026 -0.000001\nH O Pr Si\n12 48 12 12\ndirect\n0.784055 0.750000 0.163426 H\n0.264303 0.414945 0.172707 H\n0.264303 0.085055 0.172709 H\n0.764307 0.085058 0.327282 H\n0.764308 0.414942 0.327283 H\n0.284055 0.750000 0.336599 H\n0.715945 0.250000 0.663402 H\n0.235693 0.585058 0.672718 H\n0.235693 0.914942 0.672718 H\n0.735697 0.585055 0.827292 H\n0.735697 0.914945 0.827292 H\n0.215945 0.250000 0.836577 H\n0.754445 0.565236 0.058909 O\n0.754445 0.934764 0.058909 O\n0.237718 0.249999 0.062664 O\n0.801367 0.117696 0.082552 O\n0.801367 0.382303 0.082554 O\n0.356393 0.750000 0.104026 O\n0.581714 0.664854 0.151533 O\n0.581714 0.835146 0.151533 O\n0.061563 0.166800 0.164563 O\n0.061563 0.333200 0.164563 O\n0.072287 0.507654 0.249526 O\n0.072287 0.992347 0.249526 O\n0.572285 0.507654 0.250459 O\n0.572285 0.992346 0.250459 O\n0.561566 0.166799 0.335429 O\n0.561566 0.333201 0.335429 O\n0.081718 0.664851 0.348454 O\n0.081717 0.835149 0.348454 O\n0.856393 0.750000 0.395988 O\n0.301372 0.117697 0.417454 O\n0.301372 0.382304 0.417454 O\n0.737713 0.250000 0.437310 O\n0.254443 0.565236 0.441097 O\n0.254443 0.934764 0.441097 O\n0.745557 0.065236 0.558901 O\n0.745557 0.434765 0.558902 O\n0.262287 0.750000 0.562689 O\n0.698628 0.617697 0.582545 O\n0.698628 0.882303 0.582547 O\n0.143607 0.250000 0.604013 O\n0.918282 0.335148 0.651545 O\n0.918283 0.164851 0.651547 O\n0.438434 0.833201 0.664572 O\n0.438434 0.666799 0.664574 O\n0.427715 0.007654 0.749539 O\n0.427716 0.492346 0.749542 O\n0.927712 0.007654 0.750472 O\n0.927712 0.492346 0.750475 O\n0.938436 0.666799 0.835438 O\n0.938436 0.833201 0.835438 O\n0.418286 0.335146 0.848467 O\n0.418286 0.164854 0.848470 O\n0.643607 0.250000 0.895973 O\n0.198633 0.617696 0.917446 O\n0.198633 0.882304 0.917446 O\n0.762282 0.750000 0.937336 O\n0.245555 0.065236 0.941089 O\n0.245555 0.434764 0.941090 O\n0.417037 0.906746 0.172506 Pr\n0.417036 0.593254 0.172508 Pr\n0.895329 0.249999 0.173121 Pr\n0.395328 0.250001 0.326858 Pr\n0.917041 0.906746 0.327497 Pr\n0.917042 0.593254 0.327499 Pr\n0.082958 0.406746 0.672500 Pr\n0.082959 0.093254 0.672502 Pr\n0.604672 0.749999 0.673142 Pr\n0.104672 0.750000 0.826879 Pr\n0.582964 0.406746 0.827490 Pr\n0.582964 0.093254 0.827492 Pr\n0.152556 0.585854 0.236600 Si\n0.152556 0.914146 0.236601 Si\n0.128769 0.250000 0.241357 Si\n0.628769 0.249999 0.258623 Si\n0.652559 0.914143 0.263393 Si\n0.652559 0.585856 0.263395 Si\n0.347441 0.085856 0.736608 Si\n0.347441 0.414144 0.736608 Si\n0.371231 0.750000 0.741378 Si\n0.871231 0.750000 0.758641 Si\n0.847444 0.085854 0.763400 Si\n0.847444 0.414146 0.763400 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
"H",
"O",
"Pr",
"Si"
],
"chemical_system": "H-O-Pr-Si",
"density": 4.97463699473437,
"density_atomic": 0.08961834340090799,
"volume": 937.3081091694107,
"volume_molar": 6.719763534413855,
"formula_full": "Pr12 Si12 H12 O48",
"formula_reduced": "PrSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.87904180783798,
"spacegroup": 62
},
{
"id": "oqmd-1101060",
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