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{
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"results": [
{
"id": "mp-1248182",
"created_at": "2022-09-04T14:44:53.809238Z",
"structure_string": "Na4 Al11 Si13 Ag7 O48\n1.0\n12.818442 -0.012871 0.107656\n-0.012992 12.416575 0.017041\n0.114474 0.016001 11.794401\nNa Al Si Ag O\n4 11 13 7 48\ndirect\n0.587151 0.000277 0.534678 Na\n0.593474 0.396906 0.918189 Na\n0.598013 0.602626 0.086874 Na\n0.778352 0.791032 0.807225 Na\n0.376343 0.195094 0.997465 Al\n0.379314 0.001138 0.795834 Al\n0.380172 0.803361 0.999781 Al\n0.607856 0.999338 0.224004 Al\n0.611890 0.187938 0.009214 Al\n0.617420 0.000456 0.792406 Al\n0.618380 0.815957 0.005275 Al\n0.823663 0.001480 0.369036 Al\n0.817033 0.377333 0.004544 Al\n0.820282 0.624320 0.995934 Al\n0.839498 0.995858 0.643338 Al\n0.990505 0.182198 0.365511 Si\n0.999759 0.376421 0.193768 Si\n0.006719 0.373541 0.812188 Si\n0.992612 0.821247 0.362001 Si\n0.006808 0.625853 0.807671 Si\n0.998469 0.816768 0.633097 Si\n0.165504 0.004158 0.357540 Si\n0.177138 0.369079 0.001898 Si\n0.179592 0.625457 0.997905 Si\n0.173375 0.000271 0.623855 Si\n0.370970 0.999144 0.190756 Si\n0.999100 0.181747 0.635596 Si\n0.002970 0.623189 0.190327 Si\n0.215265 0.812405 0.805823 Ag\n0.216766 0.196740 0.800725 Ag\n0.211365 0.796916 0.196150 Ag\n0.802350 0.173988 0.840722 Ag\n0.795087 0.179997 0.169413 Ag\n0.803423 0.824517 0.163300 Ag\n0.758481 0.003971 0.007423 Ag\n0.983492 0.206442 0.501827 O\n0.012617 0.297948 0.698954 O\n0.020602 0.499452 0.772716 O\n0.019982 0.699495 0.693157 O\n0.108368 0.112770 0.653822 O\n0.111567 0.650374 0.116236 O\n0.106449 0.660703 0.888662 O\n0.102797 0.891761 0.656794 O\n0.093192 0.108785 0.335982 O\n0.100532 0.351464 0.111925 O\n0.109798 0.337997 0.886029 O\n0.099795 0.891278 0.329528 O\n0.198617 0.998271 0.489125 O\n0.205680 0.497948 0.990429 O\n0.276562 0.995722 0.695369 O\n0.281987 0.699090 0.999984 O\n0.268029 0.004883 0.278952 O\n0.278349 0.296453 0.005247 O\n0.368523 0.101977 0.108805 O\n0.356345 0.122086 0.870983 O\n0.352154 0.883166 0.123256 O\n0.360214 0.881985 0.878497 O\n0.475779 0.992843 0.266209 O\n0.497789 0.262491 0.996261 O\n0.502398 0.741303 0.012118 O\n0.498850 0.999914 0.723198 O\n0.633354 0.113618 0.134566 O\n0.638833 0.112454 0.884106 O\n0.638951 0.888982 0.132226 O\n0.646846 0.890868 0.883287 O\n0.709879 0.995929 0.681141 O\n0.723162 0.721334 0.006349 O\n0.690412 0.999438 0.342604 O\n0.717219 0.282593 0.999887 O\n0.750964 0.501776 0.997901 O\n0.869302 0.998375 0.503031 O\n0.905135 0.114228 0.698051 O\n0.902194 0.642275 0.113488 O\n0.895463 0.648891 0.869962 O\n0.898325 0.872850 0.693638 O\n0.887842 0.122055 0.314853 O\n0.891623 0.358033 0.127235 O\n0.899306 0.355796 0.883150 O\n0.891745 0.883462 0.311208 O\n0.004577 0.299134 0.304711 O\n0.008839 0.500959 0.239244 O\n0.006080 0.705632 0.297594 O\n0.989090 0.794399 0.497236 O\n",
"nsites": 83,
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"elements": [
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"density": 2.0142800727790346,
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"volume": 1877.0518506198825,
"volume_molar": 13.619121034037862,
"formula_full": "Na4 Al11 Si13 Ag7 O48",
"formula_reduced": "Na4Al11Si13Ag7O48",
"formula_anonymous": "A4B7C11D13E48",
"energy": -606.08068439,
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"updated_at": "2021-11-28T01:36:49.165000Z",
"spacegroup": 1
},
{
"id": "mp-1519950",
"created_at": "2022-09-04T14:44:55.589557Z",
"structure_string": "K1 La1 Pr1 Sb1 O6\n1.0\n0.000000 -4.291730 -4.291730\n4.291730 -0.000000 -4.291730\n4.291730 -4.291730 0.000000\nK La Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731776 0.268224 0.268224 O\n0.268224 0.731776 0.731776 O\n0.731776 0.268224 0.731776 O\n0.268224 0.731776 0.268224 O\n0.731776 0.731776 0.268224 O\n0.268224 0.268224 0.731776 O\n",
"nsites": 10,
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"elements": [
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"Pr",
"Sb",
"O"
],
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"density": 5.636733219063761,
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"formula_full": "K1 La1 Pr1 Sb1 O6",
"formula_reduced": "KLaPrSbO6",
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"updated_at": "2021-11-28T01:36:40.994000Z",
"spacegroup": 216
},
{
"id": "mp-764019",
"created_at": "2022-09-04T14:44:53.529259Z",
"structure_string": "Li8 Ti4 Ni4 O16\n1.0\n3.032140 3.004985 -4.120253\n-2.954032 -2.915370 -4.291961\n-5.833987 5.898495 0.008300\nLi Ti Ni O\n8 4 4 16\ndirect\n0.250000 0.749995 0.750000 Li\n0.750000 0.249995 0.250000 Li\n0.250001 0.249980 0.749995 Li\n0.750001 0.749980 0.249995 Li\n0.000001 0.999997 0.499995 Li\n0.499999 0.499997 0.999997 Li\n0.500006 0.999999 0.499996 Li\n0.000007 0.499999 0.999998 Li\n0.999992 0.500001 0.500006 Ti\n0.499991 0.000001 0.999998 Ti\n0.499991 0.499996 0.500004 Ti\n0.999992 0.999996 0.999996 Ti\n0.250003 0.749999 0.250001 Ni\n0.249999 0.250001 0.249999 Ni\n0.750003 0.249999 0.750001 Ni\n0.749999 0.750001 0.750000 Ni\n0.992880 0.500180 0.735228 O\n0.492882 0.000180 0.235221 O\n0.992899 0.000135 0.764772 O\n0.492901 0.500135 0.264780 O\n0.007102 0.999861 0.235218 O\n0.507104 0.499861 0.735225 O\n0.007122 0.499820 0.264780 O\n0.507124 0.999821 0.764774 O\n0.750245 0.727809 0.497746 O\n0.250245 0.227807 0.997739 O\n0.749760 0.272175 0.497790 O\n0.249760 0.772177 0.997782 O\n0.250243 0.727820 0.502218 O\n0.750244 0.227822 0.002211 O\n0.249759 0.272190 0.502260 O\n0.749758 0.772188 0.002253 O\n",
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"volume": 293.8757680848756,
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"formula_full": "Li8 Ti4 Ni4 O16",
"formula_reduced": "Li2TiNiO4",
"formula_anonymous": "ABC2D4",
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{
"id": "mp-15951",
"created_at": "2022-09-04T14:44:54.752299Z",
"structure_string": "Be3 F6\n1.0\n2.404019 -4.163883 0.000000\n2.404019 4.163883 0.000000\n0.000000 0.000000 5.262467\nBe F\n3 6\ndirect\n0.471623 0.000000 0.333333 Be\n0.000000 0.471623 0.666667 Be\n0.528377 0.528377 0.000000 Be\n0.416450 0.264261 0.210832 F\n0.735739 0.152189 0.544165 F\n0.847811 0.583550 0.877499 F\n0.152189 0.735739 0.455835 F\n0.583550 0.847811 0.122501 F\n0.264261 0.416450 0.789168 F\n",
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"spacegroup": 152
},
{
"id": "mp-626287",
"created_at": "2022-09-04T14:44:52.909086Z",
"structure_string": "Sr2 H32 O20\n1.0\n4.708193 4.465946 0.000000\n-4.708193 4.465946 0.000000\n0.000000 0.218061 11.715578\nSr H O\n2 32 20\ndirect\n0.973356 0.997285 0.743078 Sr\n0.997285 0.973356 0.243078 Sr\n0.417910 0.925590 0.639406 H\n0.269971 0.838170 0.545401 H\n0.620101 0.265979 0.649603 H\n0.701438 0.148307 0.540882 H\n0.071653 0.395237 0.587692 H\n0.287616 0.402990 0.651793 H\n0.957869 0.625268 0.641004 H\n0.686560 0.590086 0.652623 H\n0.395237 0.071653 0.087692 H\n0.402990 0.287616 0.151793 H\n0.590086 0.686560 0.152623 H\n0.625268 0.957869 0.141004 H\n0.265979 0.620101 0.149603 H\n0.148307 0.701438 0.040882 H\n0.925590 0.417910 0.139406 H\n0.838170 0.269971 0.045401 H\n0.615380 0.052513 0.374741 H\n0.625371 0.292913 0.344910 H\n0.365203 0.734500 0.358412 H\n0.321122 0.979466 0.388253 H\n0.692542 0.636397 0.355139 H\n0.819287 0.705358 0.469028 H\n0.083359 0.345931 0.401637 H\n0.302527 0.368602 0.338080 H\n0.636397 0.692542 0.855139 H\n0.705358 0.819287 0.969028 H\n0.345931 0.083359 0.901637 H\n0.368602 0.302527 0.838080 H\n0.979466 0.321122 0.888253 H\n0.734500 0.365203 0.858412 H\n0.052513 0.615380 0.874741 H\n0.292913 0.625371 0.844910 H\n0.534730 0.473491 0.680610 O\n0.473491 0.534730 0.180610 O\n0.478762 0.522890 0.307424 O\n0.522890 0.478762 0.807424 O\n0.277570 0.866171 0.628370 O\n0.681240 0.129468 0.624012 O\n0.137385 0.351666 0.657504 O\n0.833881 0.695814 0.620482 O\n0.351666 0.137385 0.157504 O\n0.695814 0.833881 0.120482 O\n0.129468 0.681240 0.124012 O\n0.866171 0.277570 0.128370 O\n0.703988 0.178227 0.378823 O\n0.269650 0.835753 0.394952 O\n0.815336 0.720777 0.384119 O\n0.186005 0.262341 0.365152 O\n0.720777 0.815336 0.884119 O\n0.262341 0.186005 0.865152 O\n0.835753 0.269650 0.894952 O\n0.178227 0.703988 0.878823 O\n",
"nsites": 54,
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],
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"volume": 492.6760380226566,
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"formula_full": "Sr2 H32 O20",
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{
"id": "mp-768088",
"created_at": "2022-09-04T14:44:54.376463Z",
"structure_string": "Mn4 Si8 O22\n1.0\n7.154552 0.000000 0.000000\n-2.557770 7.149983 0.000000\n-1.941255 -1.788666 8.034961\nMn Si O\n4 8 22\ndirect\n0.135943 0.369658 0.611226 Mn\n0.639783 0.374951 0.610671 Mn\n0.360217 0.625049 0.389329 Mn\n0.864057 0.630342 0.388774 Mn\n0.765964 0.618851 0.975491 Si\n0.048369 0.790521 0.779623 Si\n0.480111 0.786060 0.785081 Si\n0.222951 0.019043 0.394845 Si\n0.777049 0.980957 0.605155 Si\n0.519889 0.213940 0.214919 Si\n0.951631 0.209479 0.220377 Si\n0.234036 0.381149 0.024509 Si\n0.195855 0.421767 0.840110 O\n0.610805 0.738595 0.945123 O\n0.676055 0.418880 0.836562 O\n0.982847 0.759177 0.947107 O\n0.293681 0.841168 0.821846 O\n0.620465 0.966007 0.721335 O\n0.393255 0.597530 0.625041 O\n0.341322 0.204109 0.554501 O\n0.844692 0.197217 0.567668 O\n0.993351 0.962820 0.706461 O\n0.913370 0.594059 0.625729 O\n0.086630 0.405941 0.374271 O\n0.006649 0.037180 0.293539 O\n0.155308 0.802783 0.432332 O\n0.658678 0.795891 0.445499 O\n0.606745 0.402470 0.374959 O\n0.379535 0.033993 0.278665 O\n0.706319 0.158832 0.178154 O\n0.017153 0.240823 0.052893 O\n0.323945 0.581120 0.163438 O\n0.389195 0.261405 0.054877 O\n0.804145 0.578233 0.159890 O\n",
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"formula_full": "Mn4 Si8 O22",
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{
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