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{
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{
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{
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"structure_string": "Nb4 Se18\n1.0\n8.525162 0.000000 0.000000\n-0.656190 8.746075 0.000000\n-0.925859 -1.618430 8.641700\nNb Se\n4 18\ndirect\n0.089646 0.097947 0.138100 Nb\n0.910354 0.902053 0.861900 Nb\n0.414478 0.361944 0.398397 Nb\n0.585522 0.638056 0.601603 Nb\n0.978874 0.184436 0.406373 Se\n0.021126 0.815564 0.593627 Se\n0.338828 0.477405 0.679313 Se\n0.661172 0.522595 0.320687 Se\n0.612820 0.790725 0.904644 Se\n0.387180 0.209275 0.095356 Se\n0.960435 0.813164 0.136628 Se\n0.039565 0.186836 0.863372 Se\n0.265440 0.080683 0.406740 Se\n0.734560 0.919317 0.593260 Se\n0.571119 0.352041 0.670739 Se\n0.428881 0.647959 0.329261 Se\n0.179239 0.827810 0.998552 Se\n0.820761 0.172190 0.001448 Se\n0.896545 0.604988 0.691830 Se\n0.103455 0.395012 0.308170 Se\n0.540961 0.103901 0.288676 Se\n0.459039 0.896099 0.711324 Se\n",
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{
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"structure_string": "K2 Cu2 C2 O6 F2\n1.0\n4.065878 0.000000 0.000000\n0.000000 5.147864 0.000000\n0.000000 0.000000 9.042628\nK Cu C O F\n2 2 2 6 2\ndirect\n0.500000 0.710351 0.077349 K\n0.500000 0.289649 0.577349 K\n0.000000 0.791354 0.732336 Cu\n0.000000 0.208646 0.232336 Cu\n0.000000 0.784430 0.413655 C\n0.000000 0.215570 0.913655 C\n0.000000 0.330273 0.788928 O\n0.000000 0.038599 0.423564 O\n0.000000 0.648448 0.535348 O\n0.000000 0.669727 0.288928 O\n0.000000 0.351552 0.035348 O\n0.000000 0.961401 0.923564 O\n0.500000 0.804059 0.728821 F\n0.500000 0.195941 0.228821 F\n",
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{
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"structure_string": "Sr4 Cd4 P8 O28\n1.0\n8.672255 0.000000 0.000000\n0.000000 5.508386 0.000000\n0.000000 5.469194 13.156898\nSr Cd P O\n4 4 8 28\ndirect\n0.324161 0.512948 0.770148 Sr\n0.824161 0.487052 0.729852 Sr\n0.675839 0.487052 0.229852 Sr\n0.175839 0.512948 0.270148 Sr\n0.355364 0.219645 0.093630 Cd\n0.855364 0.780355 0.406370 Cd\n0.644636 0.780355 0.906370 Cd\n0.144636 0.219645 0.593630 Cd\n0.216376 0.823913 0.473263 P\n0.716376 0.176087 0.026737 P\n0.783624 0.176087 0.526737 P\n0.283624 0.823913 0.973263 P\n0.468836 0.933095 0.324893 P\n0.968836 0.066905 0.175107 P\n0.531164 0.066905 0.675107 P\n0.031164 0.933095 0.824893 P\n0.116420 0.719728 0.406576 O\n0.616420 0.280272 0.093424 O\n0.883580 0.280272 0.593424 O\n0.383580 0.719728 0.906576 O\n0.174467 0.109219 0.456468 O\n0.674467 0.890781 0.043532 O\n0.825533 0.890781 0.543532 O\n0.325533 0.109219 0.956468 O\n0.213339 0.631760 0.584540 O\n0.713339 0.368240 0.915460 O\n0.786661 0.368240 0.415460 O\n0.286661 0.631760 0.084540 O\n0.446564 0.726864 0.278514 O\n0.946564 0.273136 0.221486 O\n0.553436 0.273136 0.721486 O\n0.053436 0.726864 0.778514 O\n0.106666 0.817942 0.938100 O\n0.606666 0.182058 0.561900 O\n0.893334 0.182058 0.061900 O\n0.393334 0.817942 0.438100 O\n0.863021 0.989965 0.840958 O\n0.363021 0.010035 0.659042 O\n0.136979 0.010035 0.159042 O\n0.636979 0.989965 0.340958 O\n0.111727 0.195972 0.763087 O\n0.611727 0.804028 0.736913 O\n0.888273 0.804028 0.236913 O\n0.388273 0.195972 0.263087 O\n",
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{
"id": "mp-985700",
"created_at": "2022-09-04T14:46:27.079851Z",
"structure_string": "Er4 Cr4 B16\n1.0\n5.889039 -0.000022 -0.000001\n-0.000043 11.378775 -0.000011\n0.000000 -0.000003 3.410923\nEr Cr B\n4 4 16\ndirect\n0.124731 0.150767 0.000011 Er\n0.875228 0.849392 0.000000 Er\n0.624674 0.349272 0.999991 Er\n0.375194 0.650616 0.999984 Er\n0.124622 0.418872 0.000007 Cr\n0.875469 0.581001 0.999997 Cr\n0.624615 0.081095 0.000002 Cr\n0.375494 0.919020 0.000002 Cr\n0.475207 0.192012 0.500002 B\n0.524838 0.807968 0.499999 B\n0.975172 0.307972 0.499999 B\n0.024855 0.692041 0.500002 B\n0.281618 0.315636 0.500003 B\n0.718311 0.684386 0.500000 B\n0.781605 0.184344 0.499998 B\n0.218338 0.815626 0.500004 B\n0.363305 0.467567 0.499999 B\n0.636640 0.532388 0.500000 B\n0.863309 0.032425 0.500000 B\n0.136643 0.967615 0.500000 B\n0.386346 0.047118 0.500000 B\n0.613730 0.952951 0.500000 B\n0.886341 0.452866 0.499998 B\n0.113718 0.547050 0.499998 B\n",
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{
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"structure_string": "Pd16 S16 Cl16\n1.0\n9.644818 0.000000 0.000000\n0.000000 9.254538 0.000000\n0.000000 8.768723 14.388024\nPd S Cl\n16 16 16\ndirect\n0.206748 0.957292 0.017652 Pd\n0.094682 0.922442 0.678381 Pd\n0.293252 0.957292 0.517652 Pd\n0.594682 0.077558 0.821619 Pd\n0.879844 0.690928 0.639280 Pd\n0.922097 0.273637 0.521544 Pd\n0.379844 0.309072 0.860720 Pd\n0.905318 0.077558 0.321619 Pd\n0.706748 0.042708 0.482348 Pd\n0.077903 0.726363 0.478456 Pd\n0.120156 0.309072 0.360720 Pd\n0.793252 0.042708 0.982348 Pd\n0.422097 0.726363 0.978456 Pd\n0.405318 0.922442 0.178381 Pd\n0.620156 0.690928 0.139280 Pd\n0.577903 0.273637 0.021544 Pd\n0.404289 0.587231 0.137670 S\n0.653960 0.665318 0.012061 S\n0.265086 0.737094 0.163478 S\n0.234914 0.737094 0.663478 S\n0.904289 0.412769 0.362330 S\n0.595711 0.412769 0.862330 S\n0.765086 0.262906 0.336522 S\n0.846040 0.665318 0.512061 S\n0.095711 0.587231 0.637670 S\n0.762858 0.887182 0.912920 S\n0.262858 0.112818 0.587080 S\n0.734914 0.262906 0.836522 S\n0.346040 0.334682 0.987939 S\n0.153960 0.334682 0.487939 S\n0.237142 0.112818 0.087080 S\n0.737142 0.887182 0.412920 S\n0.064739 0.298105 0.225708 Cl\n0.964075 0.136031 0.684814 Cl\n0.322491 0.771802 0.459795 Cl\n0.677509 0.228198 0.540205 Cl\n0.822491 0.228198 0.040205 Cl\n0.650624 0.796917 0.628339 Cl\n0.935261 0.701895 0.774292 Cl\n0.849376 0.796917 0.128339 Cl\n0.349376 0.203083 0.371661 Cl\n0.177509 0.771802 0.959795 Cl\n0.435261 0.298105 0.725708 Cl\n0.535925 0.136031 0.184814 Cl\n0.035925 0.863969 0.315186 Cl\n0.464075 0.863969 0.815186 Cl\n0.150624 0.203083 0.871661 Cl\n0.564739 0.701895 0.274292 Cl\n",
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{
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"structure_string": "Ba12 Ni4 Sb8 O36\n1.0\n5.920193 0.000000 0.000000\n-2.960097 -5.127038 14.641753\n0.000000 -10.254075 0.000000\nBa Ni Sb O\n12 4 8 36\ndirect\n0.875000 0.750000 0.125000 Ba\n0.375000 0.750000 0.625000 Ba\n0.625000 0.250000 0.375000 Ba\n0.125000 0.250000 0.875000 Ba\n0.793313 0.586626 0.873354 Ba\n0.293313 0.586626 0.373354 Ba\n0.043313 0.086626 0.290021 Ba\n0.543313 0.086626 0.790021 Ba\n0.206687 0.413374 0.126646 Ba\n0.706687 0.413374 0.626646 Ba\n0.956687 0.913374 0.709979 Ba\n0.456687 0.913374 0.209979 Ba\n0.500000 0.000000 0.500000 Ni\n0.750000 0.500000 0.250000 Ni\n0.000000 0.000000 0.000000 Ni\n0.250000 0.500000 0.750000 Ni\n0.325833 0.651666 0.007500 Sb\n0.825833 0.651666 0.507500 Sb\n0.575833 0.151666 0.090834 Sb\n0.075833 0.151666 0.590834 Sb\n0.424167 0.848334 0.909166 Sb\n0.924167 0.848334 0.409166 Sb\n0.674167 0.348334 0.992500 Sb\n0.174167 0.348334 0.492500 Sb\n0.625000 0.250000 0.893077 O\n0.125000 0.250000 0.393077 O\n0.152115 0.750000 0.884038 O\n0.652115 0.750000 0.384038 O\n0.597885 0.750000 0.884038 O\n0.097885 0.750000 0.384038 O\n0.402115 0.250000 0.115962 O\n0.902115 0.250000 0.615962 O\n0.847885 0.250000 0.115962 O\n0.347885 0.250000 0.615962 O\n0.375000 0.750000 0.106923 O\n0.875000 0.750000 0.606923 O\n0.294912 0.083766 0.042460 O\n0.794912 0.083766 0.542460 O\n0.541883 0.083766 0.289431 O\n0.041883 0.083766 0.789431 O\n0.788854 0.083766 0.042460 O\n0.288854 0.083766 0.542460 O\n0.044912 0.583766 0.123774 O\n0.544912 0.583766 0.623774 O\n0.458117 0.916234 0.710569 O\n0.958117 0.916234 0.210569 O\n0.538854 0.583766 0.123774 O\n0.038854 0.583766 0.623774 O\n0.291883 0.583766 0.876803 O\n0.791883 0.583766 0.376803 O\n0.461146 0.416234 0.876226 O\n0.961146 0.416234 0.376226 O\n0.955088 0.416234 0.876226 O\n0.455088 0.416234 0.376226 O\n0.211146 0.916234 0.957540 O\n0.711146 0.916234 0.457540 O\n0.705088 0.916234 0.957540 O\n0.205088 0.916234 0.457540 O\n0.708117 0.416234 0.123197 O\n0.208117 0.416234 0.623197 O\n",
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{
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