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{
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{
"id": "mp-1199704",
"created_at": "2022-09-04T14:48:04.628841Z",
"structure_string": "Na4 Pr4 P8 H16 C4 O28\n1.0\n0.001736 0.000000 6.768181\n6.889403 0.000000 -0.102923\n0.000000 15.955218 0.000000\nNa Pr P H C O\n4 4 8 16 4 28\ndirect\n0.146482 0.715378 0.489665 Na\n0.353518 0.284622 0.989665 Na\n0.853518 0.284622 0.510335 Na\n0.646482 0.715378 0.010335 Na\n0.595384 0.839244 0.605149 Pr\n0.904616 0.160756 0.105149 Pr\n0.404616 0.160756 0.394851 Pr\n0.095384 0.839244 0.894851 Pr\n0.645368 0.670122 0.419028 P\n0.854632 0.329878 0.919028 P\n0.354632 0.329878 0.580972 P\n0.145368 0.670122 0.080972 P\n0.098092 0.002915 0.660606 P\n0.401908 0.997085 0.160606 P\n0.901908 0.997085 0.339394 P\n0.598092 0.002915 0.839394 P\n0.934597 0.695858 0.713373 H\n0.565403 0.304142 0.213373 H\n0.065403 0.304142 0.286627 H\n0.434597 0.695858 0.786627 H\n0.898038 0.517361 0.652193 H\n0.601962 0.482639 0.152193 H\n0.101962 0.482639 0.347807 H\n0.398038 0.517361 0.847807 H\n0.864542 0.654370 0.299800 H\n0.635458 0.345629 0.799800 H\n0.135458 0.345629 0.700200 H\n0.364542 0.654370 0.200200 H\n0.653754 0.792555 0.279269 H\n0.846246 0.207445 0.779269 H\n0.346246 0.207445 0.720731 H\n0.153754 0.792555 0.220731 H\n0.769472 0.767072 0.326202 C\n0.730528 0.232928 0.826202 C\n0.230528 0.232928 0.673798 C\n0.269472 0.767072 0.173798 C\n0.235492 0.872320 0.609635 O\n0.264508 0.127680 0.109635 O\n0.764508 0.127680 0.390365 O\n0.735492 0.872320 0.890365 O\n0.901654 0.040233 0.614048 O\n0.598346 0.959767 0.114048 O\n0.098346 0.959767 0.385952 O\n0.401654 0.040233 0.885952 O\n0.491421 0.822563 0.449524 O\n0.008579 0.177437 0.949524 O\n0.508579 0.177437 0.550476 O\n0.991421 0.822563 0.050476 O\n0.798624 0.646314 0.490774 O\n0.701376 0.353686 0.990774 O\n0.201376 0.353686 0.509226 O\n0.298624 0.646314 0.009226 O\n0.545212 0.480602 0.393035 O\n0.954788 0.519398 0.893035 O\n0.454788 0.519398 0.606965 O\n0.045212 0.480602 0.106965 O\n0.831123 0.615631 0.685023 O\n0.668877 0.384369 0.185023 O\n0.168877 0.384369 0.314977 O\n0.331123 0.615631 0.814977 O\n0.056256 0.916224 0.748577 O\n0.443744 0.083776 0.248577 O\n0.943744 0.083776 0.251423 O\n0.556256 0.916224 0.751423 O\n",
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"spacegroup": 14
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{
"id": "mp-1215627",
"created_at": "2022-09-04T14:48:04.359251Z",
"structure_string": "Zr4 V2 Re6\n1.0\n2.663285 -4.612946 0.000000\n2.663285 4.612946 0.000000\n0.000000 0.000000 8.544549\nZr V Re\n4 2 6\ndirect\n0.333333 0.666667 0.437164 Zr\n0.666667 0.333333 0.562836 Zr\n0.666667 0.333333 0.937164 Zr\n0.333333 0.666667 0.062836 Zr\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.831509 0.168491 0.250000 Re\n0.831509 0.663017 0.250000 Re\n0.336983 0.168491 0.250000 Re\n0.168491 0.831509 0.750000 Re\n0.168491 0.336983 0.750000 Re\n0.663017 0.831509 0.750000 Re\n",
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{
"id": "mp-1225488",
"created_at": "2022-09-04T14:48:04.359759Z",
"structure_string": "Er2 Th2 Re8\n1.0\n2.696772 -4.670947 0.000000\n2.696772 4.670947 0.000000\n0.000000 0.000000 9.158130\nEr Th Re\n2 2 8\ndirect\n0.666667 0.333333 0.437996 Er\n0.333333 0.666667 0.562004 Er\n0.333333 0.666667 0.939290 Th\n0.666667 0.333333 0.060710 Th\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.659682 0.829841 0.259328 Re\n0.170159 0.829841 0.259328 Re\n0.170159 0.340318 0.259328 Re\n0.340318 0.170159 0.740672 Re\n0.829841 0.170159 0.740672 Re\n0.829841 0.659682 0.740672 Re\n",
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{
"id": "mp-1197837",
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"structure_string": "Al4 H72 C24 N8 Cl12\n1.0\n10.287076 0.000000 0.000000\n0.000000 10.917928 0.000000\n0.000000 0.000000 13.968760\nAl H C N Cl\n4 72 24 8 12\ndirect\n0.703058 0.250000 0.476037 Al\n0.203058 0.250000 0.023963 Al\n0.296942 0.750000 0.523963 Al\n0.796942 0.750000 0.976037 Al\n0.492592 0.250000 0.223254 H\n0.992592 0.250000 0.276746 H\n0.507408 0.750000 0.776746 H\n0.007408 0.750000 0.723254 H\n0.636206 0.168092 0.257463 H\n0.136206 0.331908 0.242537 H\n0.363794 0.668092 0.742537 H\n0.863794 0.831908 0.757463 H\n0.363794 0.831908 0.742537 H\n0.863794 0.668092 0.757463 H\n0.636206 0.331908 0.257463 H\n0.136206 0.168092 0.242537 H\n0.507255 0.056507 0.374510 H\n0.007255 0.443493 0.125490 H\n0.492745 0.556507 0.625490 H\n0.992745 0.943493 0.874510 H\n0.492745 0.943493 0.625490 H\n0.992745 0.556507 0.874510 H\n0.507255 0.443493 0.374510 H\n0.007255 0.056507 0.125490 H\n0.409320 0.138024 0.458275 H\n0.909320 0.361976 0.041725 H\n0.590680 0.638024 0.541725 H\n0.090680 0.861976 0.958275 H\n0.590680 0.861976 0.541725 H\n0.090680 0.638024 0.958275 H\n0.409320 0.361976 0.458275 H\n0.909320 0.138024 0.041725 H\n0.369646 0.141416 0.333576 H\n0.869646 0.358584 0.166424 H\n0.630354 0.641416 0.666424 H\n0.130354 0.858584 0.833576 H\n0.630354 0.858584 0.666424 H\n0.130354 0.641416 0.833576 H\n0.369646 0.358584 0.333576 H\n0.869646 0.141416 0.166424 H\n0.080648 0.250000 0.588274 H\n0.580648 0.250000 0.911726 H\n0.919352 0.750000 0.411726 H\n0.419352 0.750000 0.088274 H\n0.010067 0.167888 0.490366 H\n0.510067 0.332112 0.009634 H\n0.989933 0.667888 0.509634 H\n0.489933 0.832112 0.990366 H\n0.989933 0.832112 0.509634 H\n0.489933 0.667888 0.990366 H\n0.010067 0.332112 0.490366 H\n0.510067 0.167888 0.009634 H\n0.875200 0.443091 0.602724 H\n0.375200 0.056909 0.897276 H\n0.124800 0.943091 0.397276 H\n0.624800 0.556909 0.102724 H\n0.124800 0.556909 0.397276 H\n0.624800 0.943091 0.102724 H\n0.875200 0.056909 0.602724 H\n0.375200 0.443091 0.897276 H\n0.952492 0.358953 0.696979 H\n0.452492 0.141047 0.803021 H\n0.047508 0.858953 0.303021 H\n0.547508 0.641047 0.196979 H\n0.047508 0.641047 0.303021 H\n0.547508 0.858953 0.196979 H\n0.952492 0.141047 0.696979 H\n0.452492 0.358953 0.803021 H\n0.779041 0.361806 0.688251 H\n0.279041 0.138194 0.811749 H\n0.220959 0.861806 0.311749 H\n0.720959 0.638194 0.188251 H\n0.220959 0.638194 0.311749 H\n0.720959 0.861806 0.188251 H\n0.779041 0.138194 0.688251 H\n0.279041 0.361806 0.811749 H\n0.449708 0.139521 0.385853 C\n0.949708 0.360479 0.114147 C\n0.550292 0.639521 0.614147 C\n0.050292 0.860479 0.885853 C\n0.550292 0.860479 0.614147 C\n0.050292 0.639521 0.885853 C\n0.449708 0.360479 0.385853 C\n0.949708 0.139521 0.114147 C\n0.577699 0.250000 0.271383 C\n0.077699 0.250000 0.228617 C\n0.422301 0.750000 0.728617 C\n0.922301 0.750000 0.771383 C\n0.001217 0.250000 0.535236 C\n0.501217 0.250000 0.964764 C\n0.998783 0.750000 0.464764 C\n0.498783 0.750000 0.035236 C\n0.869653 0.360114 0.646982 C\n0.369653 0.139886 0.853018 C\n0.130347 0.860114 0.353018 C\n0.630347 0.639886 0.146982 C\n0.130347 0.639886 0.353018 C\n0.630347 0.860114 0.146982 C\n0.869653 0.139886 0.646982 C\n0.369653 0.360114 0.853018 C\n0.533030 0.250000 0.372565 N\n0.033030 0.250000 0.127435 N\n0.466970 0.750000 0.627435 N\n0.966970 0.750000 0.872565 N\n0.873712 0.250000 0.584535 N\n0.373712 0.250000 0.915465 N\n0.126288 0.750000 0.415465 N\n0.626288 0.750000 0.084535 N\n0.569177 0.250000 0.595980 Cl\n0.069177 0.250000 0.904020 Cl\n0.430823 0.750000 0.404020 Cl\n0.930823 0.750000 0.095980 Cl\n0.773079 0.421728 0.416601 Cl\n0.273079 0.078272 0.083399 Cl\n0.226921 0.921728 0.583399 Cl\n0.726921 0.578272 0.916601 Cl\n0.226921 0.578272 0.583399 Cl\n0.726921 0.921728 0.916601 Cl\n0.773079 0.078272 0.416601 Cl\n0.273079 0.421728 0.083399 Cl\n",
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{
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"structure_string": "K8 Sn6 Se16\n1.0\n4.230134 -14.119510 0.000000\n4.230134 14.119510 0.000000\n0.000000 0.000000 8.420202\nK Sn Se\n8 6 16\ndirect\n0.103142 0.896858 0.000000 K\n0.896858 0.103142 0.000000 K\n0.396858 0.603142 0.500000 K\n0.603142 0.396858 0.500000 K\n0.767002 0.232998 0.000000 K\n0.232998 0.767002 0.000000 K\n0.732998 0.267002 0.500000 K\n0.267002 0.732998 0.500000 K\n0.626408 0.373592 0.000000 Sn\n0.373592 0.626408 0.000000 Sn\n0.873592 0.126408 0.500000 Sn\n0.126408 0.873592 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.777737 0.899998 0.661492 Se\n0.899998 0.777737 0.338508 Se\n0.277737 0.399998 0.838508 Se\n0.100002 0.222263 0.338508 Se\n0.399998 0.277737 0.161492 Se\n0.600002 0.722263 0.161492 Se\n0.993304 0.647364 0.680307 Se\n0.006696 0.352636 0.680307 Se\n0.647364 0.993304 0.319693 Se\n0.352636 0.006696 0.319693 Se\n0.506696 0.852636 0.819693 Se\n0.493304 0.147364 0.819693 Se\n0.852636 0.506696 0.180307 Se\n0.147364 0.493304 0.180307 Se\n0.722263 0.600002 0.838508 Se\n0.222263 0.100002 0.661492 Se\n",
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{
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"structure_string": "Na24 Ce12 O36\n1.0\n5.189399 5.619753 0.000000\n-5.189399 5.619753 0.000000\n0.000000 2.969097 18.139448\nNa Ce O\n24 12 36\ndirect\n0.669299 0.825605 0.334347 Na\n0.671452 0.817639 0.995628 Na\n0.085822 0.914178 0.250000 Na\n0.660922 0.836863 0.665440 Na\n0.836863 0.660922 0.165440 Na\n0.490458 0.005606 0.168279 Na\n0.825605 0.669299 0.834347 Na\n0.583398 0.417955 0.418070 Na\n0.509542 0.994394 0.831721 Na\n0.817639 0.671452 0.495628 Na\n0.582045 0.416602 0.081930 Na\n0.500000 0.000000 0.500000 Na\n0.994394 0.509542 0.331721 Na\n0.000000 0.500000 0.000000 Na\n0.005606 0.490458 0.668279 Na\n0.417955 0.583398 0.918070 Na\n0.182361 0.328548 0.504372 Na\n0.416602 0.582045 0.581930 Na\n0.174395 0.330701 0.165653 Na\n0.163137 0.339078 0.834560 Na\n0.339078 0.163137 0.334560 Na\n0.914178 0.085822 0.750000 Na\n0.328548 0.182361 0.004372 Na\n0.330701 0.174395 0.665653 Na\n0.085460 0.916936 0.913870 Ce\n0.083064 0.914540 0.586130 Ce\n0.262072 0.739132 0.419340 Ce\n0.260868 0.737928 0.080660 Ce\n0.249588 0.750412 0.750000 Ce\n0.585393 0.414607 0.750000 Ce\n0.414607 0.585393 0.250000 Ce\n0.750412 0.249588 0.250000 Ce\n0.739132 0.262072 0.919340 Ce\n0.737928 0.260868 0.580660 Ce\n0.916936 0.085460 0.413870 Ce\n0.914540 0.083064 0.086130 Ce\n0.516261 0.717365 0.455386 O\n0.513955 0.704012 0.133386 O\n0.189170 0.020688 0.461702 O\n0.527614 0.696447 0.780746 O\n0.189024 0.024433 0.116567 O\n0.975567 0.810976 0.383433 O\n0.205159 0.010321 0.800464 O\n0.979312 0.810830 0.038298 O\n0.370256 0.841520 0.300409 O\n0.696447 0.527614 0.280746 O\n0.989679 0.794841 0.699536 O\n0.341430 0.870540 0.963034 O\n0.717365 0.516261 0.955386 O\n0.339598 0.874097 0.634132 O\n0.158480 0.629744 0.199591 O\n0.870540 0.341430 0.463034 O\n0.704012 0.513955 0.633386 O\n0.125903 0.660402 0.865868 O\n0.874097 0.339598 0.134132 O\n0.295988 0.486045 0.366614 O\n0.129460 0.658570 0.536966 O\n0.841520 0.370256 0.800409 O\n0.660402 0.125903 0.365868 O\n0.282635 0.483739 0.044614 O\n0.658570 0.129460 0.036966 O\n0.010321 0.205159 0.300464 O\n0.303553 0.472386 0.719254 O\n0.629744 0.158480 0.699591 O\n0.020688 0.189170 0.961702 O\n0.794841 0.989679 0.199536 O\n0.024433 0.189024 0.616567 O\n0.810976 0.975567 0.883433 O\n0.472386 0.303553 0.219254 O\n0.810830 0.979312 0.538298 O\n0.486045 0.295988 0.866614 O\n0.483739 0.282635 0.544614 O\n",
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