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{
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{
"id": "mp-1195062",
"created_at": "2022-09-04T14:42:12.941202Z",
"structure_string": "K4 Na4 H32 Xe2 O28\n1.0\n-5.187267 -6.274980 1.758538\n-5.187267 6.274980 1.758538\n-0.014746 0.000000 -10.950484\nK Na H Xe O\n4 4 32 2 28\ndirect\n0.231142 0.034247 0.477967 K\n0.965753 0.768858 0.022033 K\n0.768858 0.965753 0.522033 K\n0.034247 0.231142 0.977967 K\n0.150062 0.849938 0.750000 Na\n0.849938 0.150062 0.250000 Na\n0.590838 0.409162 0.250000 Na\n0.409162 0.590838 0.750000 Na\n0.067071 0.693253 0.447013 H\n0.306747 0.932929 0.052987 H\n0.932929 0.306747 0.552987 H\n0.693253 0.067071 0.947013 H\n0.909742 0.667700 0.504441 H\n0.332300 0.090258 0.995559 H\n0.090258 0.332300 0.495559 H\n0.667700 0.909742 0.004441 H\n0.405033 0.805006 0.587902 H\n0.194994 0.594967 0.912098 H\n0.594967 0.194994 0.412098 H\n0.805006 0.405033 0.087902 H\n0.499388 0.941313 0.718006 H\n0.058687 0.500612 0.781994 H\n0.500612 0.058687 0.281994 H\n0.941313 0.499388 0.218006 H\n0.931588 0.800510 0.281707 H\n0.199490 0.068412 0.218293 H\n0.068412 0.199490 0.718293 H\n0.800510 0.931588 0.781707 H\n0.733498 0.799683 0.254259 H\n0.200317 0.266502 0.245741 H\n0.266502 0.200317 0.745741 H\n0.799683 0.733498 0.754259 H\n0.593975 0.639445 0.458922 H\n0.360555 0.406025 0.041078 H\n0.406025 0.360555 0.541078 H\n0.639445 0.593975 0.958922 H\n0.684812 0.546563 0.557317 H\n0.453437 0.315188 0.942683 H\n0.315188 0.453437 0.442683 H\n0.546563 0.684812 0.057317 H\n0.320599 0.679401 0.250000 Xe\n0.679401 0.320599 0.750000 Xe\n0.316360 0.904489 0.211637 O\n0.095511 0.683640 0.288363 O\n0.683640 0.095511 0.788363 O\n0.904489 0.316360 0.711637 O\n0.323908 0.459630 0.291115 O\n0.540370 0.676092 0.208885 O\n0.676092 0.540370 0.708885 O\n0.459630 0.323908 0.791115 O\n0.435394 0.788630 0.432095 O\n0.211370 0.564606 0.067905 O\n0.564606 0.211370 0.567905 O\n0.788630 0.435394 0.932095 O\n0.025351 0.731490 0.524920 O\n0.268510 0.974649 0.975080 O\n0.974649 0.268510 0.475080 O\n0.731490 0.025351 0.024920 O\n0.405952 0.842674 0.680622 O\n0.157326 0.594048 0.819378 O\n0.594048 0.157326 0.319378 O\n0.842674 0.405952 0.180622 O\n0.845975 0.872710 0.275868 O\n0.127290 0.154025 0.224132 O\n0.154025 0.127290 0.724132 O\n0.872710 0.845975 0.775868 O\n0.690414 0.582213 0.475964 O\n0.417787 0.309586 0.024036 O\n0.309586 0.417787 0.524036 O\n0.582213 0.690414 0.975964 O\n",
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{
"id": "mp-975443",
"created_at": "2022-09-04T14:42:12.947838Z",
"structure_string": "In1 Cu1 O3\n1.0\n3.787341 0.000000 0.000000\n0.000000 3.787341 0.000000\n0.000000 0.000000 3.787341\nIn Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
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{
"id": "mp-27138",
"created_at": "2022-09-04T14:42:12.962018Z",
"structure_string": "K2 Pd1 Br4\n1.0\n7.540635 0.000000 0.000000\n0.000000 7.540635 0.000000\n0.000000 0.000000 4.451699\nK Pd Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.767664 0.767664 0.000000 Br\n0.232336 0.232336 0.000000 Br\n0.232336 0.767664 0.000000 Br\n0.767664 0.232336 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:42:12.963031Z",
"structure_string": "Ti1\n1.0\n-1.625750 1.625750 1.625750\n1.625750 -1.625750 1.625750\n1.625750 1.625750 -1.625750\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
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{
"id": "mp-1207981",
"created_at": "2022-09-04T14:42:12.963522Z",
"structure_string": "Y8 Bi16 C8\n1.0\n11.532269 0.000000 0.000000\n0.000000 11.532269 0.000000\n0.000000 0.000000 5.680544\nY Bi C\n8 16 8\ndirect\n0.164361 0.664361 0.250000 Y\n0.835639 0.335639 0.750000 Y\n0.835639 0.335639 0.250000 Y\n0.335639 0.164361 0.750000 Y\n0.164361 0.664361 0.750000 Y\n0.664361 0.835639 0.250000 Y\n0.664361 0.835639 0.750000 Y\n0.335639 0.164361 0.250000 Y\n0.109676 0.390799 0.000000 Bi\n0.890324 0.609201 0.000000 Bi\n0.609201 0.109676 0.500000 Bi\n0.390324 0.890799 0.000000 Bi\n0.390799 0.890324 0.500000 Bi\n0.609676 0.109201 0.000000 Bi\n0.890799 0.609676 0.500000 Bi\n0.109201 0.390324 0.500000 Bi\n0.932080 0.119986 0.000000 Bi\n0.067920 0.880014 0.000000 Bi\n0.880014 0.932080 0.500000 Bi\n0.567920 0.619986 0.000000 Bi\n0.119986 0.067920 0.500000 Bi\n0.432080 0.380014 0.000000 Bi\n0.619986 0.432080 0.500000 Bi\n0.380014 0.567920 0.500000 Bi\n0.356300 0.578648 0.000000 C\n0.643700 0.421352 0.000000 C\n0.421352 0.356300 0.500000 C\n0.143700 0.078648 0.000000 C\n0.578648 0.643700 0.500000 C\n0.856300 0.921352 0.000000 C\n0.078648 0.856300 0.500000 C\n0.921352 0.143700 0.500000 C\n",
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{
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"structure_string": "Mn8 O4 F12\n1.0\n3.194300 -6.646782 0.000000\n3.194300 6.646782 0.000000\n0.000000 0.000000 7.082708\nMn O F\n8 4 12\ndirect\n0.624879 0.874859 0.750000 Mn\n0.125141 0.375121 0.750000 Mn\n0.125886 0.874114 0.750000 Mn\n0.376214 0.623786 0.250000 Mn\n0.623786 0.376214 0.750000 Mn\n0.874114 0.125886 0.250000 Mn\n0.375121 0.125141 0.250000 Mn\n0.874859 0.624879 0.250000 Mn\n0.469262 0.530738 0.750000 O\n0.780306 0.219694 0.750000 O\n0.530738 0.469262 0.250000 O\n0.219694 0.780306 0.250000 O\n0.973715 0.026285 0.750000 F\n0.623885 0.873465 0.052012 F\n0.126535 0.376115 0.052012 F\n0.873465 0.623885 0.947988 F\n0.623885 0.873465 0.447988 F\n0.126535 0.376115 0.447988 F\n0.376115 0.126535 0.947988 F\n0.026285 0.973715 0.250000 F\n0.277127 0.722873 0.750000 F\n0.722873 0.277127 0.250000 F\n0.873465 0.623885 0.552012 F\n0.376115 0.126535 0.552012 F\n",
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"formula_full": "Mn8 O4 F12",
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{
"id": "mp-1078790",
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"structure_string": "Dy2 In2 Pt4\n1.0\n2.293791 -3.972963 0.000000\n2.293791 3.972963 0.000000\n0.000000 0.000000 9.080541\nDy In Pt\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.907817 Pt\n0.666667 0.333333 0.092183 Pt\n0.666667 0.333333 0.407817 Pt\n0.333333 0.666667 0.592183 Pt\n",
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{
"id": "mp-677704",
"created_at": "2022-09-04T14:42:12.981394Z",
"structure_string": "Sb4 H20 C6 N2 Cl18\n1.0\n10.096801 0.000000 0.000000\n0.642441 11.588088 0.000000\n0.755697 0.804963 11.789688\nSb H C N Cl\n4 20 6 2 18\ndirect\n0.057843 0.989992 0.013660 Sb\n0.682355 0.884336 0.618892 Sb\n0.411923 0.928874 0.538057 Sb\n0.783616 0.959745 0.077689 Sb\n0.424770 0.337118 0.566052 H\n0.685225 0.583651 0.469066 H\n0.726522 0.822059 0.357531 H\n0.095865 0.278004 0.324092 H\n0.647659 0.604977 0.418299 H\n0.657952 0.835273 0.385190 H\n0.332822 0.102897 0.280759 H\n0.375916 0.508721 0.398322 H\n0.774102 0.109640 0.021747 H\n0.891544 0.329313 0.350517 H\n0.414240 0.349180 0.068421 H\n0.903990 0.344577 0.288061 H\n0.889847 0.500654 0.100322 H\n0.690284 0.213227 0.232143 H\n0.084519 0.900894 0.133912 H\n0.081645 0.669129 0.068537 H\n0.633488 0.321366 0.152250 H\n0.240373 0.728516 0.089527 H\n0.233713 0.619930 0.987823 H\n0.946547 0.253114 0.972411 H\n0.032878 0.643566 0.771757 C\n0.622241 0.719967 0.689568 C\n0.993769 0.325628 0.919458 C\n0.066152 0.460825 0.512794 C\n0.179438 0.691020 0.030029 C\n0.519013 0.362370 0.599102 C\n0.606580 0.265791 0.220681 N\n0.185524 0.286050 0.276154 N\n0.152416 0.800885 0.915332 Cl\n0.475812 0.398637 0.980577 Cl\n0.881666 0.632750 0.828109 Cl\n0.064339 0.275719 0.798796 Cl\n0.679621 0.977008 0.797839 Cl\n0.294794 0.992625 0.704540 Cl\n0.546895 0.274012 0.715281 Cl\n0.486477 0.644830 0.686144 Cl\n0.906319 0.441598 0.570846 Cl\n0.453178 0.116852 0.451904 Cl\n0.068408 0.588670 0.431375 Cl\n0.600939 0.356001 0.334371 Cl\n0.467826 0.740597 0.227807 Cl\n0.874333 0.055573 0.236404 Cl\n0.284114 0.021334 0.228692 Cl\n0.890109 0.754029 0.194163 Cl\n0.135292 0.343922 0.151025 Cl\n0.502207 0.607955 0.127970 Cl\n",
"nsites": 50,
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{
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"updated_at": "2021-11-28T01:36:06.427000Z",
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},
{
"id": "mp-760342",
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"structure_string": "K8 Li8 H16 W8 O40\n1.0\n7.867858 0.000000 0.000000\n0.000000 10.837362 0.000000\n0.000000 0.000000 13.028769\nK Li H W O\n8 8 16 8 40\ndirect\n0.693026 0.802852 0.368669 K\n0.806974 0.802852 0.868669 K\n0.193026 0.697148 0.368669 K\n0.306974 0.697148 0.868669 K\n0.693026 0.302852 0.131331 K\n0.806974 0.302852 0.631331 K\n0.306974 0.197148 0.631331 K\n0.193026 0.197148 0.131331 K\n0.017695 0.930699 0.177168 Li\n0.482305 0.930699 0.677168 Li\n0.517695 0.569301 0.177168 Li\n0.982305 0.569301 0.677168 Li\n0.482305 0.430699 0.822832 Li\n0.017695 0.430699 0.322832 Li\n0.982305 0.069301 0.822832 Li\n0.517695 0.069301 0.322832 Li\n0.255419 0.975091 0.361519 H\n0.244581 0.975091 0.861519 H\n0.338193 0.946711 0.469398 H\n0.161807 0.946711 0.969398 H\n0.838193 0.553289 0.469398 H\n0.661807 0.553289 0.969398 H\n0.755419 0.524909 0.361519 H\n0.744581 0.524909 0.861519 H\n0.255419 0.475091 0.138481 H\n0.244581 0.475091 0.638481 H\n0.338193 0.446711 0.030602 H\n0.161807 0.446711 0.530602 H\n0.838193 0.053289 0.030602 H\n0.661807 0.053289 0.530602 H\n0.755419 0.024909 0.138481 H\n0.744581 0.024909 0.638481 H\n0.438599 0.869438 0.124488 W\n0.061401 0.869438 0.624488 W\n0.938599 0.630562 0.124488 W\n0.561401 0.630562 0.624488 W\n0.438599 0.369438 0.375512 W\n0.061401 0.369438 0.875512 W\n0.938599 0.130562 0.375512 W\n0.561401 0.130562 0.875512 W\n0.570299 0.981321 0.193685 O\n0.929701 0.981321 0.693685 O\n0.364419 0.949608 0.394819 O\n0.135581 0.949608 0.894819 O\n0.227584 0.933999 0.100555 O\n0.272416 0.933999 0.600555 O\n0.533087 0.829833 0.003638 O\n0.966913 0.829833 0.503638 O\n0.921214 0.768419 0.203718 O\n0.578786 0.768419 0.703718 O\n0.421214 0.731581 0.203718 O\n0.078786 0.731581 0.703718 O\n0.033087 0.670167 0.003638 O\n0.466913 0.670167 0.503638 O\n0.727584 0.566001 0.100555 O\n0.772416 0.566001 0.600555 O\n0.864419 0.550392 0.394819 O\n0.635581 0.550392 0.894819 O\n0.429701 0.518679 0.693685 O\n0.070299 0.518679 0.193685 O\n0.570299 0.481321 0.306315 O\n0.929701 0.481321 0.806315 O\n0.364419 0.449608 0.105181 O\n0.135581 0.449608 0.605181 O\n0.227584 0.433999 0.399445 O\n0.272416 0.433999 0.899445 O\n0.533087 0.329833 0.496362 O\n0.966913 0.329833 0.996362 O\n0.921214 0.268419 0.296282 O\n0.578786 0.268419 0.796282 O\n0.421214 0.231581 0.296282 O\n0.078786 0.231581 0.796282 O\n0.466913 0.170167 0.996362 O\n0.033087 0.170167 0.496362 O\n0.772416 0.066001 0.899445 O\n0.727584 0.066001 0.399445 O\n0.864419 0.050392 0.105181 O\n0.635581 0.050392 0.605181 O\n0.429701 0.018679 0.806315 O\n0.070299 0.018679 0.306315 O\n",
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{
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]
}