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"results": [
{
"id": "mp-722714",
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"structure_string": "Mg2 Cd2 H8 N8 O20\n1.0\n3.545565 5.786969 0.000000\n-3.545565 5.786969 0.000000\n0.000000 0.345030 12.224381\nMg Cd H N O\n2 2 8 8 20\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.013724 0.986276 0.750000 Cd\n0.986276 0.013724 0.250000 Cd\n0.774637 0.591151 0.938461 H\n0.408849 0.225363 0.561539 H\n0.225363 0.408849 0.061539 H\n0.591151 0.774637 0.438461 H\n0.770406 0.579442 0.067168 H\n0.420558 0.229594 0.432832 H\n0.229594 0.420558 0.932832 H\n0.579442 0.770406 0.567168 H\n0.732921 0.286057 0.579280 N\n0.713943 0.267079 0.920720 N\n0.267079 0.713943 0.420720 N\n0.286057 0.732921 0.079280 N\n0.132642 0.510567 0.728754 N\n0.489433 0.867358 0.771246 N\n0.867358 0.489433 0.271246 N\n0.510567 0.132642 0.228754 N\n0.684742 0.159911 0.639011 O\n0.840089 0.315258 0.860989 O\n0.315258 0.840089 0.360989 O\n0.159911 0.684742 0.139011 O\n0.924343 0.271729 0.598235 O\n0.728271 0.075657 0.901765 O\n0.075657 0.728271 0.401765 O\n0.271729 0.924343 0.098235 O\n0.146551 0.606928 0.813285 O\n0.393072 0.853449 0.686715 O\n0.853449 0.393072 0.186715 O\n0.606928 0.146551 0.313285 O\n0.049774 0.642048 0.647296 O\n0.357952 0.950226 0.852704 O\n0.950226 0.357952 0.352704 O\n0.642048 0.049774 0.147296 O\n0.746002 0.681769 0.004210 O\n0.318231 0.253998 0.495790 O\n0.253998 0.318231 0.995790 O\n0.681769 0.746002 0.504210 O\n",
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{
"id": "mp-849365",
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"structure_string": "Y4 Nb8 N4 O20\n1.0\n14.991301 0.000000 0.000000\n0.000000 5.270825 0.000000\n0.000000 0.032308 5.957137\nY Nb N O\n4 8 4 20\ndirect\n0.251781 0.735483 0.705447 Y\n0.251906 0.254928 0.298108 Y\n0.748094 0.254928 0.798108 Y\n0.748219 0.735483 0.205447 Y\n0.423909 0.254399 0.815667 Nb\n0.417481 0.775873 0.183268 Nb\n0.582519 0.775873 0.683268 Nb\n0.576091 0.254399 0.315667 Nb\n0.913114 0.726918 0.688368 Nb\n0.917954 0.226255 0.316947 Nb\n0.082046 0.226255 0.816947 Nb\n0.086886 0.726918 0.188368 Nb\n0.493390 0.092641 0.118644 N\n0.506610 0.092641 0.618644 N\n0.832095 0.607463 0.889977 N\n0.167905 0.607463 0.389977 N\n0.334468 0.897861 0.391378 O\n0.333683 0.390765 0.616491 O\n0.347750 0.960923 0.914898 O\n0.347682 0.474838 0.083266 O\n0.494756 0.590284 0.865777 O\n0.505244 0.590284 0.365777 O\n0.652318 0.474838 0.583266 O\n0.652250 0.960923 0.414898 O\n0.665532 0.897861 0.891378 O\n0.666317 0.390765 0.116491 O\n0.832131 0.103439 0.118904 O\n0.849230 0.044363 0.585168 O\n0.852475 0.539308 0.412042 O\n0.994265 0.403319 0.631803 O\n0.995334 0.920940 0.363847 O\n0.004666 0.920940 0.863847 O\n0.005735 0.403319 0.131803 O\n0.147525 0.539308 0.912042 O\n0.150770 0.044363 0.085168 O\n0.167869 0.103439 0.618904 O\n",
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"spacegroup": 7
},
{
"id": "mp-1182596",
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"structure_string": "Co2 H64 C16 S8 N4 O20\n1.0\n10.714773 0.000000 0.000000\n0.000000 10.220953 0.000000\n0.000000 6.750884 9.813502\nCo H C S N O\n2 64 16 8 4 20\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.662689 0.085141 0.294811 H\n0.837311 0.085141 0.794811 H\n0.337311 0.914859 0.705189 H\n0.162689 0.914859 0.205189 H\n0.532777 0.178696 0.239385 H\n0.967223 0.178696 0.739385 H\n0.467223 0.821304 0.760615 H\n0.032777 0.821304 0.260615 H\n0.536686 0.814914 0.411860 H\n0.963314 0.814914 0.911860 H\n0.463314 0.185086 0.588140 H\n0.036686 0.185086 0.088140 H\n0.398629 0.890144 0.368532 H\n0.101371 0.890144 0.868532 H\n0.601371 0.109856 0.631468 H\n0.898629 0.109856 0.131468 H\n0.498121 0.583451 0.733279 H\n0.001879 0.583451 0.233279 H\n0.501879 0.416549 0.266721 H\n0.998121 0.416549 0.766721 H\n0.407960 0.436017 0.730415 H\n0.092040 0.436017 0.230415 H\n0.592040 0.563983 0.269585 H\n0.907960 0.563983 0.769585 H\n0.428230 0.418360 0.888321 H\n0.071770 0.418360 0.388321 H\n0.571770 0.581640 0.111679 H\n0.928230 0.581640 0.611679 H\n0.637854 0.117855 0.918139 H\n0.862146 0.117855 0.418139 H\n0.362146 0.882145 0.081861 H\n0.137854 0.882145 0.581861 H\n0.502608 0.154944 0.986366 H\n0.997392 0.154944 0.486366 H\n0.497392 0.845056 0.013634 H\n0.002608 0.845056 0.513634 H\n0.490720 0.173794 0.827716 H\n0.009280 0.173794 0.327716 H\n0.509280 0.826206 0.172284 H\n0.990720 0.826206 0.672284 H\n0.582772 0.403539 0.622865 H\n0.917228 0.403539 0.122865 H\n0.417228 0.596461 0.377135 H\n0.082772 0.596461 0.877135 H\n0.675224 0.540945 0.635693 H\n0.824776 0.540945 0.135693 H\n0.324776 0.459055 0.364307 H\n0.175224 0.459055 0.864307 H\n0.731444 0.341231 0.708192 H\n0.768556 0.341231 0.208192 H\n0.268556 0.658769 0.291808 H\n0.231444 0.658769 0.791808 H\n0.755846 0.308862 0.929104 H\n0.744154 0.308862 0.429104 H\n0.244154 0.691138 0.070896 H\n0.255846 0.691138 0.570896 H\n0.697702 0.509656 0.848595 H\n0.802298 0.509656 0.348595 H\n0.302298 0.490344 0.151405 H\n0.197702 0.490344 0.651405 H\n0.623448 0.347763 0.999055 H\n0.876552 0.347763 0.499055 H\n0.376552 0.652237 0.000945 H\n0.123448 0.652237 0.500945 H\n0.471068 0.458023 0.790307 C\n0.028932 0.458023 0.290307 C\n0.528932 0.541977 0.209693 C\n0.971068 0.541977 0.709693 C\n0.552384 0.188298 0.893300 C\n0.947616 0.188298 0.393300 C\n0.447616 0.811702 0.106700 C\n0.052384 0.811702 0.606700 C\n0.649167 0.415842 0.686299 C\n0.850833 0.415842 0.186299 C\n0.350833 0.584158 0.313701 C\n0.149167 0.584158 0.813701 C\n0.673190 0.383415 0.905472 C\n0.826810 0.383415 0.405472 C\n0.326810 0.616585 0.094528 C\n0.173190 0.616585 0.594528 C\n0.700595 0.850521 0.611645 S\n0.799405 0.850521 0.111645 S\n0.299405 0.149479 0.388355 S\n0.200595 0.149479 0.888355 S\n0.712701 0.842163 0.786325 S\n0.787299 0.842163 0.286325 S\n0.287299 0.157837 0.213675 S\n0.212701 0.157837 0.713675 S\n0.586574 0.360766 0.818860 N\n0.913426 0.360766 0.318860 N\n0.413426 0.639234 0.181140 N\n0.086574 0.639234 0.681140 N\n0.828237 0.755687 0.858908 O\n0.671763 0.755687 0.358908 O\n0.171763 0.244313 0.141092 O\n0.328237 0.244313 0.641092 O\n0.598276 0.143468 0.310563 O\n0.901724 0.143468 0.810563 O\n0.401724 0.856532 0.689437 O\n0.098276 0.856532 0.189437 O\n0.460865 0.839371 0.444496 O\n0.039135 0.839371 0.944496 O\n0.539135 0.160629 0.555504 O\n0.960865 0.160629 0.055504 O\n0.717718 0.010078 0.748221 O\n0.782282 0.010078 0.248221 O\n0.282282 0.989922 0.251779 O\n0.217718 0.989922 0.751779 O\n0.599041 0.761434 0.868696 O\n0.900959 0.761434 0.368696 O\n0.400959 0.238566 0.131304 O\n0.099041 0.238566 0.631304 O\n",
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"formula_full": "Co2 H64 C16 S8 N4 O20",
"formula_reduced": "CoH32C8S4(NO5)2",
"formula_anonymous": "AB2C4D8E10F32",
"energy": -618.18277045,
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},
{
"id": "mp-1207019",
"created_at": "2022-09-04T14:48:10.042534Z",
"structure_string": "Br1 O1\n1.0\n2.726092 -1.853757 0.000000\n2.726092 1.853757 0.000000\n1.465527 0.000000 2.953002\nBr O\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1221132",
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"structure_string": "Pr3 Gd3 Mn23\n1.0\n7.430053 -4.359998 0.000000\n7.430053 4.359998 0.000000\n4.871581 0.000000 7.105136\nPr Gd Mn\n3 3 23\ndirect\n0.703042 0.299824 0.703042 Pr\n0.299824 0.703042 0.703042 Pr\n0.703042 0.703042 0.299824 Pr\n0.292233 0.708035 0.292233 Gd\n0.708035 0.292233 0.292233 Gd\n0.292233 0.292233 0.708035 Gd\n0.120756 0.120756 0.120756 Mn\n0.122581 0.122581 0.632330 Mn\n0.632330 0.122581 0.122581 Mn\n0.122581 0.632330 0.122581 Mn\n0.879769 0.879769 0.879769 Mn\n0.879552 0.879552 0.362147 Mn\n0.362147 0.879552 0.879552 Mn\n0.879552 0.362147 0.879552 Mn\n0.001701 0.001701 0.001701 Mn\n0.321006 0.321006 0.321006 Mn\n0.319456 0.319456 0.032133 Mn\n0.032133 0.319456 0.319456 Mn\n0.319456 0.032133 0.319456 Mn\n0.685560 0.685560 0.685560 Mn\n0.675754 0.675754 0.970924 Mn\n0.970924 0.675754 0.675754 Mn\n0.675754 0.970924 0.675754 Mn\n0.999382 0.497241 0.999382 Mn\n0.497241 0.999382 0.999382 Mn\n0.999382 0.999382 0.497241 Mn\n0.498179 0.008217 0.498179 Mn\n0.008217 0.498179 0.498179 Mn\n0.498179 0.498179 0.008217 Mn\n",
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{
"id": "mp-1026381",
"created_at": "2022-09-04T14:48:09.785101Z",
"structure_string": "K1 Na1 Mg14\n1.0\n6.681349 -0.000000 0.000000\n-3.340675 5.786217 -0.000000\n-0.000000 0.000000 10.405849\nK Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 K\n0.166667 0.333333 0.625000 Na\n0.171222 0.835610 0.125000 Mg\n0.168592 0.834295 0.625000 Mg\n0.664390 0.328778 0.125000 Mg\n0.665705 0.331408 0.625000 Mg\n0.664390 0.835610 0.125000 Mg\n0.665705 0.834295 0.625000 Mg\n0.339749 0.160251 0.381660 Mg\n0.339749 0.160251 0.868340 Mg\n0.339749 0.679498 0.381660 Mg\n0.339749 0.679498 0.868340 Mg\n0.820502 0.160251 0.381660 Mg\n0.820502 0.160251 0.868340 Mg\n0.833333 0.666667 0.373216 Mg\n0.833333 0.666667 0.876784 Mg\n",
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{
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"structure_string": "Ag1 Sb1 Se1 S1\n1.0\n3.953368 0.000000 0.000000\n0.000000 3.953368 0.000000\n0.000000 0.000000 5.781907\nAg Sb Se S\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 S\n",
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{
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