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{
"id": "mp-709027",
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"structure_string": "H40 Ru2 C12 N2 O28\n1.0\n3.797497 -4.771025 0.000000\n3.797497 4.771025 0.000000\n0.000000 0.000000 23.406996\nH Ru C N O\n40 2 12 2 28\ndirect\n0.718696 0.281304 0.010462 H\n0.281304 0.718696 0.989538 H\n0.718696 0.281304 0.489538 H\n0.281304 0.718696 0.510462 H\n0.763060 0.236940 0.938121 H\n0.236940 0.763060 0.061879 H\n0.763060 0.236940 0.561879 H\n0.236940 0.763060 0.438121 H\n0.197403 0.592201 0.143368 H\n0.592201 0.197403 0.856632 H\n0.197403 0.592201 0.356632 H\n0.592201 0.197403 0.643368 H\n0.802597 0.407799 0.856632 H\n0.407799 0.802597 0.143368 H\n0.802597 0.407799 0.643368 H\n0.407799 0.802597 0.356632 H\n0.658125 0.551694 0.063834 H\n0.551694 0.658125 0.936166 H\n0.658125 0.551694 0.436166 H\n0.551694 0.658125 0.563834 H\n0.341875 0.448306 0.936166 H\n0.448306 0.341875 0.063834 H\n0.341875 0.448306 0.563834 H\n0.448306 0.341875 0.436166 H\n0.803082 0.196918 0.214238 H\n0.196918 0.803082 0.785762 H\n0.803082 0.196918 0.285762 H\n0.196918 0.803082 0.714238 H\n0.443807 0.003597 0.250000 H\n0.003597 0.443807 0.750000 H\n0.556193 0.996403 0.750000 H\n0.996403 0.556193 0.250000 H\n0.421422 0.251886 0.211762 H\n0.251886 0.421422 0.788238 H\n0.421422 0.251886 0.288238 H\n0.251886 0.421422 0.711762 H\n0.578578 0.748114 0.788238 H\n0.748114 0.578578 0.211762 H\n0.578578 0.748114 0.711762 H\n0.748114 0.578578 0.288238 H\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.489017 0.187221 0.250000 C\n0.187221 0.489017 0.750000 C\n0.510983 0.812779 0.750000 C\n0.812779 0.510983 0.250000 C\n0.821159 0.975610 0.113457 C\n0.975610 0.821159 0.886543 C\n0.821159 0.975610 0.386543 C\n0.975610 0.821159 0.613457 C\n0.178841 0.024390 0.886543 C\n0.024390 0.178841 0.113457 C\n0.178841 0.024390 0.613457 C\n0.024390 0.178841 0.386543 C\n0.737334 0.262666 0.250000 N\n0.262666 0.737334 0.750000 N\n0.785852 0.864831 0.065668 O\n0.864831 0.785852 0.934332 O\n0.785852 0.864831 0.434332 O\n0.864831 0.785852 0.565668 O\n0.214148 0.135169 0.934332 O\n0.135169 0.214148 0.065668 O\n0.214148 0.135169 0.565668 O\n0.135169 0.214148 0.434332 O\n0.794608 0.205392 0.979818 O\n0.205392 0.794608 0.020182 O\n0.794608 0.205392 0.520182 O\n0.205392 0.794608 0.479818 O\n0.703739 0.929171 0.157252 O\n0.929171 0.703739 0.842748 O\n0.703739 0.929171 0.342748 O\n0.929171 0.703739 0.657252 O\n0.296261 0.070829 0.842748 O\n0.070829 0.296261 0.157252 O\n0.296261 0.070829 0.657252 O\n0.070829 0.296261 0.342748 O\n0.250999 0.749001 0.129888 O\n0.749001 0.250999 0.870112 O\n0.250999 0.749001 0.370112 O\n0.749001 0.250999 0.629888 O\n0.614152 0.385848 0.062735 O\n0.385848 0.614152 0.937265 O\n0.614152 0.385848 0.437265 O\n0.385848 0.614152 0.562735 O\n",
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{
"id": "mp-759289",
"created_at": "2022-09-04T14:41:06.077339Z",
"structure_string": "Li2 Bi2 P8 O24\n1.0\n3.619191 8.373308 0.000000\n-3.619191 8.373308 0.000000\n0.000000 5.957170 8.063969\nLi Bi P O\n2 2 8 24\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.245282 0.754718 0.750000 Bi\n0.754718 0.245282 0.250000 Bi\n0.310544 0.415243 0.161964 P\n0.686795 0.012823 0.094416 P\n0.987177 0.313205 0.405584 P\n0.584757 0.689456 0.338036 P\n0.415243 0.310544 0.661964 P\n0.012823 0.686795 0.594416 P\n0.313205 0.987177 0.905584 P\n0.689456 0.584757 0.838036 P\n0.756757 0.995177 0.212541 O\n0.175060 0.605777 0.048134 O\n0.167013 0.350530 0.338382 O\n0.453605 0.220630 0.088461 O\n0.563315 0.569628 0.799379 O\n0.779370 0.546395 0.411539 O\n0.649470 0.832987 0.161618 O\n0.989979 0.163886 0.576103 O\n0.394223 0.824940 0.451866 O\n0.836114 0.010021 0.923897 O\n0.004823 0.243243 0.287459 O\n0.430372 0.436685 0.700621 O\n0.569628 0.563315 0.299379 O\n0.995177 0.756757 0.712541 O\n0.163886 0.989979 0.076103 O\n0.605777 0.175060 0.548134 O\n0.010021 0.836114 0.423897 O\n0.350530 0.167013 0.838382 O\n0.220630 0.453605 0.588461 O\n0.436685 0.430372 0.200621 O\n0.546395 0.779370 0.911539 O\n0.832987 0.649470 0.661618 O\n0.824940 0.394223 0.951866 O\n0.243243 0.004823 0.787459 O\n",
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{
"id": "mp-13265",
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"structure_string": "Er3 Ag3 Sn3\n1.0\n3.690849 -6.392738 0.000000\n3.690849 6.392738 0.000000\n0.000000 0.000000 4.485726\nEr Ag Sn\n3 3 3\ndirect\n0.000000 0.569824 0.000000 Er\n0.430176 0.430176 0.000000 Er\n0.569824 0.000000 0.000000 Er\n0.000000 0.246574 0.500000 Ag\n0.753426 0.753426 0.500000 Ag\n0.246574 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
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"formula_full": "Er3 Ag3 Sn3",
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{
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"structure_string": "Ag3 Sb1\n1.0\n1.571596 -2.722084 0.000000\n1.571596 2.722084 0.000000\n0.000000 0.000000 9.615561\nAg Sb\n3 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.264478 Ag\n0.666667 0.333333 0.735522 Ag\n0.333333 0.666667 0.000000 Sb\n",
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{
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"structure_string": "Ni1 O2\n1.0\n1.399391 -2.423816 0.000000\n1.399391 2.423816 0.000000\n0.000000 0.000000 4.618273\nNi O\n1 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.706039 O\n0.666667 0.333333 0.293961 O\n",
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{
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"structure_string": "Li3 Fe3 F12\n1.0\n2.613171 -4.526146 0.000000\n2.613171 4.526146 0.000000\n0.000000 0.000000 12.094690\nLi Fe F\n3 3 12\ndirect\n0.000000 0.427688 0.166667 Li\n0.572312 0.572312 0.500000 Li\n0.427688 0.000000 0.833333 Li\n0.000000 0.427828 0.666667 Fe\n0.572172 0.572172 0.000000 Fe\n0.427828 0.000000 0.333333 Fe\n0.071613 0.677718 0.291919 F\n0.070632 0.671745 0.787346 F\n0.328255 0.398887 0.120680 F\n0.322282 0.393895 0.625252 F\n0.606105 0.928387 0.958585 F\n0.601113 0.929368 0.454013 F\n0.393895 0.322282 0.374748 F\n0.398887 0.328255 0.879320 F\n0.929368 0.601113 0.545987 F\n0.928387 0.606105 0.041415 F\n0.677718 0.071613 0.708081 F\n0.671745 0.070632 0.212654 F\n",
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{
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{
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"structure_string": "K48 In8 Se36\n1.0\n17.267500 0.000000 0.000000\n0.000000 12.883817 0.000000\n0.000000 3.392517 14.331972\nK In Se\n48 8 36\ndirect\n0.053141 0.588304 0.053038 K\n0.072244 0.092741 0.037257 K\n0.427756 0.092741 0.537257 K\n0.104706 0.312858 0.816627 K\n0.895294 0.687142 0.183373 K\n0.961680 0.413130 0.293531 K\n0.728704 0.043545 0.966912 K\n0.038320 0.586870 0.706469 K\n0.946859 0.411696 0.946962 K\n0.814596 0.326223 0.553913 K\n0.927756 0.907259 0.962743 K\n0.253456 0.680354 0.185768 K\n0.603064 0.167434 0.690770 K\n0.254944 0.153845 0.215735 K\n0.946690 0.723681 0.437709 K\n0.446859 0.588304 0.553038 K\n0.753456 0.319646 0.314232 K\n0.572244 0.907259 0.462743 K\n0.314596 0.673777 0.946087 K\n0.245056 0.153845 0.715735 K\n0.896936 0.167434 0.190770 K\n0.754944 0.846155 0.284265 K\n0.553141 0.411696 0.446962 K\n0.604706 0.687142 0.683373 K\n0.947232 0.978390 0.624892 K\n0.185404 0.673777 0.446087 K\n0.271296 0.956455 0.033088 K\n0.246544 0.680354 0.685768 K\n0.814777 0.589223 0.704241 K\n0.228704 0.956455 0.533088 K\n0.685223 0.589223 0.204241 K\n0.685404 0.326223 0.053913 K\n0.185223 0.410777 0.295759 K\n0.771296 0.043545 0.466912 K\n0.103064 0.832566 0.809230 K\n0.447232 0.021610 0.875108 K\n0.396936 0.832566 0.309230 K\n0.745056 0.846155 0.784265 K\n0.446690 0.276319 0.062291 K\n0.052768 0.021610 0.375108 K\n0.395294 0.312858 0.316627 K\n0.553310 0.723681 0.937709 K\n0.746544 0.319646 0.814232 K\n0.053310 0.276319 0.562291 K\n0.552768 0.978390 0.124892 K\n0.314777 0.410777 0.795759 K\n0.461680 0.586870 0.206469 K\n0.538320 0.413130 0.793531 K\n0.582537 0.175781 0.290655 In\n0.797955 0.622441 0.972948 In\n0.702045 0.622441 0.472948 In\n0.202045 0.377559 0.027052 In\n0.417463 0.824219 0.709345 In\n0.297955 0.377559 0.527052 In\n0.917463 0.175781 0.790655 In\n0.082537 0.824219 0.209345 In\n0.204334 0.905137 0.275037 Se\n0.610568 0.167880 0.467075 Se\n0.255009 0.213317 0.963336 Se\n0.429533 0.617579 0.786203 Se\n0.049985 0.085605 0.769853 Se\n0.916007 0.692330 0.861373 Se\n0.422015 0.809974 0.075508 Se\n0.311796 0.444118 0.122185 Se\n0.416007 0.307670 0.638627 Se\n0.929533 0.382421 0.713797 Se\n0.570467 0.382421 0.213797 Se\n0.658546 0.467073 0.614625 Se\n0.922015 0.190026 0.424492 Se\n0.549985 0.914395 0.730147 Se\n0.110568 0.832120 0.032925 Se\n0.704334 0.094863 0.224963 Se\n0.950015 0.914395 0.230147 Se\n0.583993 0.692330 0.361373 Se\n0.755009 0.786683 0.536664 Se\n0.244991 0.213317 0.463336 Se\n0.811796 0.555882 0.377815 Se\n0.389432 0.832120 0.532925 Se\n0.077985 0.809974 0.575508 Se\n0.795666 0.094863 0.724963 Se\n0.295666 0.905137 0.775037 Se\n0.070467 0.617579 0.286203 Se\n0.158546 0.532927 0.885375 Se\n0.688204 0.555882 0.877815 Se\n0.889432 0.167880 0.967075 Se\n0.577985 0.190026 0.924492 Se\n0.188204 0.444118 0.622185 Se\n0.841454 0.467073 0.114625 Se\n0.744991 0.786683 0.036664 Se\n0.083993 0.307670 0.138627 Se\n0.450015 0.085605 0.269853 Se\n0.341454 0.532927 0.385375 Se\n",
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{
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{
"id": "mp-1218701",
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{
"id": "mp-581595",
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"formula_full": "Pu26 Zn116",
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{
"id": "mp-1105546",
"created_at": "2022-09-04T14:41:01.560356Z",
"structure_string": "La1 Fe4 Cu3 O12\n1.0\n-3.754026 3.759325 -3.749864\n3.754016 -3.759341 -3.749870\n-3.754010 -3.759324 -3.749881\nLa Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.144313 0.832828 0.688516 O\n0.478657 0.167173 0.688515 O\n0.521343 0.832827 0.311485 O\n0.855687 0.167172 0.311484 O\n0.687906 0.854427 0.833478 O\n0.687906 0.521383 0.166523 O\n0.312094 0.478617 0.833477 O\n0.312094 0.145573 0.166522 O\n0.167247 0.311508 0.521246 O\n0.832755 0.311508 0.855737 O\n0.167245 0.688492 0.144263 O\n0.832753 0.688492 0.478754 O\n",
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}
]
}