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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=33",
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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-1101042",
"created_at": "2022-09-04T15:34:25.700915Z",
"updated_at": "2022-09-04T15:34:25.700948Z",
"structure_string": "Er12 Si12 H12 O48\n1.0\n-0.000131 12.844682 -0.000001\n-0.000001 -0.000002 15.536601\n4.324905 -0.000045 -0.000000\nEr H O Si\n12 12 48 12\ndirect\n0.433762 0.598115 0.146662 Er\n0.433762 0.901885 0.146662 Er\n0.889226 0.250000 0.210265 Er\n0.389217 0.250000 0.289750 Er\n0.933753 0.901888 0.353347 Er\n0.933753 0.598112 0.353349 Er\n0.066247 0.098112 0.646652 Er\n0.066247 0.401888 0.646652 Er\n0.610784 0.750000 0.710249 Er\n0.110775 0.750000 0.789734 Er\n0.566237 0.098115 0.853338 Er\n0.566237 0.401885 0.853338 Er\n0.247901 0.086559 0.128676 H\n0.247902 0.413441 0.128676 H\n0.786710 0.750000 0.180067 H\n0.286704 0.750000 0.319905 H\n0.747895 0.413433 0.371314 H\n0.747895 0.086567 0.371316 H\n0.252105 0.586567 0.628685 H\n0.252105 0.913433 0.628685 H\n0.713296 0.250000 0.680097 H\n0.213290 0.250000 0.819932 H\n0.752100 0.586560 0.871323 H\n0.752100 0.913441 0.871323 H\n0.234225 0.250000 0.052092 O\n0.366963 0.750000 0.095567 O\n0.772607 0.570834 0.104904 O\n0.772607 0.929166 0.104905 O\n0.807764 0.117887 0.124009 O\n0.807764 0.382113 0.124009 O\n0.050950 0.335826 0.151524 O\n0.050950 0.164174 0.151526 O\n0.587171 0.668001 0.157189 O\n0.587171 0.831999 0.157189 O\n0.576596 0.507854 0.220020 O\n0.576596 0.992145 0.220020 O\n0.076599 0.507859 0.279981 O\n0.076599 0.992141 0.279981 O\n0.087162 0.668003 0.342820 O\n0.087163 0.831997 0.342820 O\n0.550947 0.164177 0.348498 O\n0.550947 0.335823 0.348498 O\n0.307762 0.382118 0.376015 O\n0.307762 0.117882 0.376018 O\n0.272613 0.570835 0.395076 O\n0.272613 0.929165 0.395076 O\n0.866971 0.750000 0.404394 O\n0.734235 0.250000 0.447949 O\n0.265766 0.750000 0.552050 O\n0.133029 0.250000 0.595606 O\n0.727387 0.070835 0.604923 O\n0.727387 0.429165 0.604923 O\n0.692237 0.617881 0.623984 O\n0.692237 0.882118 0.623984 O\n0.449054 0.664177 0.651501 O\n0.449054 0.835823 0.651501 O\n0.912838 0.331997 0.657180 O\n0.912838 0.168003 0.657182 O\n0.923400 0.007859 0.720018 O\n0.923400 0.492141 0.720021 O\n0.423404 0.007855 0.779981 O\n0.423404 0.492145 0.779981 O\n0.412829 0.168001 0.842810 O\n0.412829 0.331999 0.842810 O\n0.949049 0.664174 0.848478 O\n0.949049 0.835826 0.848478 O\n0.192236 0.882114 0.875991 O\n0.192236 0.617887 0.875993 O\n0.227393 0.070834 0.895095 O\n0.227393 0.429165 0.895095 O\n0.633037 0.250000 0.904434 O\n0.765775 0.750000 0.947910 O\n0.159111 0.912938 0.218306 Si\n0.159111 0.587061 0.218308 Si\n0.120822 0.250000 0.222140 Si\n0.620828 0.250000 0.277900 Si\n0.659101 0.587049 0.281682 Si\n0.659101 0.912952 0.281682 Si\n0.340899 0.087049 0.718317 Si\n0.340899 0.412952 0.718317 Si\n0.379172 0.750000 0.722099 Si\n0.879178 0.750000 0.777859 Si\n0.840888 0.087062 0.781693 Si\n0.840888 0.412939 0.781694 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Er",
"H",
"O",
"Si"
],
"chemical_system": "Er-H-O-Si",
"density": 6.010796856524208,
"density_atomic": 0.09732476067061277,
"volume": 863.0897155174183,
"volume_molar": 6.187675899231249,
"formula_full": "Er12 Si12 H12 O48",
"formula_reduced": "ErSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.88770003509988,
"spacegroup": 62
},
{
"id": "oqmd-1102925",
"created_at": "2022-09-04T15:34:48.934077Z",
"updated_at": "2022-09-04T15:34:48.934092Z",
"structure_string": "Dy12 Si12 H12 O48\n1.0\n9.455146 0.000000 0.000000\n-4.727573 8.188397 0.000000\n0.000000 0.000000 13.322689\nDy H O Si\n12 12 48 12\ndirect\n0.738067 0.261932 0.166667 Dy\n0.284554 0.284554 0.166667 Dy\n0.715447 0.715447 0.166667 Dy\n0.261932 0.738068 0.166667 Dy\n0.284554 0.000000 0.500000 Dy\n0.715446 0.000000 0.500000 Dy\n0.738068 0.476136 0.500000 Dy\n0.261933 0.523866 0.500000 Dy\n0.523865 0.261932 0.833333 Dy\n0.000000 0.284554 0.833333 Dy\n0.000000 0.715447 0.833333 Dy\n0.476135 0.738068 0.833333 Dy\n0.500000 0.000000 0.000000 H\n0.500001 0.500000 0.005380 H\n0.000000 0.000000 0.166667 H\n0.500001 0.500000 0.327954 H\n0.000000 0.500000 0.333334 H\n0.500000 0.000000 0.338712 H\n0.000000 0.000000 0.500000 H\n0.500000 0.000000 0.661288 H\n0.500001 0.500000 0.666666 H\n0.000000 0.500000 0.672046 H\n0.000000 0.000000 0.833333 H\n0.000000 0.500000 0.994620 H\n0.357399 0.382749 0.007823 O\n0.642601 0.617253 0.007823 O\n0.705370 0.139163 0.028529 O\n0.294631 0.860838 0.028529 O\n0.170843 0.047164 0.098490 O\n0.829156 0.952835 0.098490 O\n0.751825 0.484639 0.116738 O\n0.248174 0.515361 0.116738 O\n0.515361 0.248174 0.216595 O\n0.484639 0.751826 0.216595 O\n0.047166 0.170844 0.234844 O\n0.952834 0.829155 0.234844 O\n0.860837 0.294632 0.304804 O\n0.139163 0.705369 0.304804 O\n0.382749 0.357400 0.325511 O\n0.617252 0.642601 0.325511 O\n0.382748 0.025348 0.341156 O\n0.617252 0.974651 0.341156 O\n0.139163 0.433794 0.361862 O\n0.860838 0.566207 0.361862 O\n0.952835 0.123679 0.431823 O\n0.047165 0.876322 0.431823 O\n0.515361 0.267187 0.450072 O\n0.484639 0.732814 0.450072 O\n0.751826 0.267187 0.549928 O\n0.248175 0.732814 0.549928 O\n0.170845 0.123679 0.568177 O\n0.829156 0.876322 0.568177 O\n0.294632 0.433794 0.638138 O\n0.705369 0.566207 0.638138 O\n0.642601 0.025348 0.658844 O\n0.357400 0.974651 0.658844 O\n0.974651 0.357400 0.674489 O\n0.025348 0.642601 0.674489 O\n0.433794 0.294632 0.695196 O\n0.566206 0.705369 0.695196 O\n0.123679 0.170844 0.765156 O\n0.876321 0.829155 0.765156 O\n0.732813 0.248174 0.783405 O\n0.267187 0.751826 0.783405 O\n0.732814 0.484639 0.883262 O\n0.267186 0.515361 0.883262 O\n0.876321 0.047164 0.901510 O\n0.123679 0.952835 0.901510 O\n0.433794 0.139163 0.971471 O\n0.566206 0.860838 0.971471 O\n0.025350 0.382749 0.992177 O\n0.974652 0.617253 0.992177 O\n0.243557 0.000000 0.000000 Si\n0.756442 0.000000 0.000000 Si\n0.229423 0.458846 0.000000 Si\n0.770577 0.541155 0.000000 Si\n0.458845 0.229423 0.333334 Si\n0.000000 0.243558 0.333334 Si\n0.000000 0.756442 0.333334 Si\n0.541155 0.770577 0.333334 Si\n0.770577 0.229423 0.666666 Si\n0.243558 0.243558 0.666666 Si\n0.756443 0.756442 0.666666 Si\n0.229422 0.770577 0.666666 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"chemical_system": "Dy-H-O-Si",
"density": 4.937611874455666,
"density_atomic": 0.08143671865628262,
"volume": 1031.475744430914,
"volume_molar": 7.3948715755818455,
"formula_full": "Dy12 Si12 H12 O48",
"formula_reduced": "DySiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.53422845129036,
"spacegroup": 181
},
{
"id": "oqmd-1102946",
"created_at": "2022-09-04T15:34:50.641475Z",
"updated_at": "2022-09-04T15:34:50.641501Z",
"structure_string": "Pr12 Si12 H12 O48\n1.0\n9.509038 0.000000 0.000000\n-4.754519 8.235068 0.000000\n0.000000 0.000000 13.632170\nH O Pr Si\n12 48 12 12\ndirect\n0.499999 0.000000 0.000000 H\n0.000000 0.500001 0.001103 H\n0.000000 0.000000 0.166667 H\n0.499999 0.000000 0.332231 H\n0.000000 0.500001 0.333334 H\n0.500000 0.500001 0.334436 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500001 0.665565 H\n0.500000 0.500001 0.666666 H\n0.499999 0.000000 0.667769 H\n0.000000 0.000000 0.833333 H\n0.500000 0.500001 0.998897 H\n0.029031 0.385194 0.000552 O\n0.970970 0.614806 0.000552 O\n0.710315 0.143956 0.015091 O\n0.289684 0.856044 0.015091 O\n0.166069 0.034662 0.099513 O\n0.833930 0.965339 0.099513 O\n0.736173 0.473094 0.112688 O\n0.263827 0.526905 0.112688 O\n0.526905 0.263827 0.220646 O\n0.473095 0.736174 0.220646 O\n0.034662 0.166070 0.233820 O\n0.965340 0.833931 0.233820 O\n0.856044 0.289686 0.318242 O\n0.143956 0.710315 0.318242 O\n0.385194 0.029031 0.332782 O\n0.614806 0.970969 0.332782 O\n0.385193 0.356163 0.333885 O\n0.614806 0.643837 0.333885 O\n0.143956 0.433641 0.348424 O\n0.856044 0.566358 0.348424 O\n0.965338 0.131408 0.432847 O\n0.034661 0.868591 0.432847 O\n0.526905 0.263079 0.446021 O\n0.473095 0.736922 0.446021 O\n0.736174 0.263079 0.553979 O\n0.263827 0.736922 0.553979 O\n0.166069 0.131408 0.567153 O\n0.833930 0.868591 0.567153 O\n0.289685 0.433641 0.651576 O\n0.710315 0.566358 0.651576 O\n0.970970 0.356163 0.666115 O\n0.029031 0.643837 0.666115 O\n0.643837 0.029031 0.667218 O\n0.356164 0.970969 0.667218 O\n0.433641 0.289686 0.681758 O\n0.566359 0.710315 0.681758 O\n0.131408 0.166070 0.766180 O\n0.868592 0.833931 0.766180 O\n0.736921 0.263827 0.779354 O\n0.263078 0.736174 0.779354 O\n0.736920 0.473094 0.887312 O\n0.263078 0.526905 0.887312 O\n0.868591 0.034662 0.900486 O\n0.131408 0.965339 0.900486 O\n0.433641 0.143956 0.984909 O\n0.566360 0.856044 0.984909 O\n0.356164 0.385194 0.999448 O\n0.643837 0.614806 0.999448 O\n0.748477 0.251521 0.166667 Pr\n0.288607 0.288606 0.166667 Pr\n0.711394 0.711393 0.166667 Pr\n0.251521 0.748478 0.166667 Pr\n0.288606 0.000000 0.500000 Pr\n0.711394 0.000000 0.500000 Pr\n0.748477 0.496956 0.500000 Pr\n0.251522 0.503044 0.500000 Pr\n0.503042 0.251521 0.833333 Pr\n0.000000 0.288606 0.833333 Pr\n0.000000 0.711393 0.833333 Pr\n0.496957 0.748478 0.833333 Pr\n0.242754 0.000000 0.000000 Si\n0.757245 0.000000 0.000000 Si\n0.233430 0.466861 0.000000 Si\n0.766569 0.533139 0.000000 Si\n0.466860 0.233430 0.333334 Si\n0.000000 0.242756 0.333334 Si\n0.000000 0.757244 0.333334 Si\n0.533140 0.766570 0.333334 Si\n0.766570 0.233430 0.666666 Si\n0.242756 0.242756 0.666666 Si\n0.757245 0.757244 0.666666 Si\n0.233431 0.766570 0.666666 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"O",
"Pr",
"Si"
],
"chemical_system": "H-O-Pr-Si",
"density": 4.36792330078388,
"density_atomic": 0.0786883647455726,
"volume": 1067.5021684794417,
"volume_molar": 7.653152762129087,
"formula_full": "Pr12 Si12 H12 O48",
"formula_reduced": "PrSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.45033810486179,
"spacegroup": 181
},
{
"id": "oqmd-1102876",
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