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{
"id": "mp-1275",
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{
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"structure_string": "P4 Ru16 C60 O56 F12\n1.0\n10.024298 0.000000 0.000000\n-3.640026 16.204213 0.000000\n-3.131498 -6.315368 15.367241\nP Ru C O F\n4 16 60 56 12\ndirect\n0.219230 0.539844 0.741918 P\n0.780770 0.460156 0.258082 P\n0.196584 0.950844 0.205538 P\n0.803416 0.049156 0.794462 P\n0.180553 0.582230 0.884622 Ru\n0.896958 0.606327 0.362821 Ru\n0.819447 0.417770 0.115378 Ru\n0.393622 0.013010 0.162395 Ru\n0.226429 0.401461 0.810685 Ru\n0.943615 0.955674 0.736446 Ru\n0.056385 0.044326 0.263554 Ru\n0.773571 0.598539 0.189315 Ru\n0.374664 0.126034 0.330805 Ru\n0.399394 0.945101 0.297888 Ru\n0.606378 0.986990 0.837605 Ru\n0.404273 0.476609 0.717091 Ru\n0.600606 0.054899 0.702112 Ru\n0.625336 0.873966 0.669195 Ru\n0.103042 0.393673 0.637179 Ru\n0.595727 0.523391 0.282909 Ru\n0.401376 0.830791 0.230027 C\n0.372476 0.083975 0.426787 C\n0.586367 0.095916 0.906769 C\n0.205423 0.632987 0.701196 C\n0.377297 0.165893 0.230942 C\n0.092630 0.609733 0.392114 C\n0.005011 0.147842 0.329604 C\n0.807220 0.602214 0.082007 C\n0.331456 0.898497 0.377183 C\n0.413633 0.904084 0.093231 C\n0.901539 0.729371 0.421785 C\n0.673201 0.770080 0.608000 C\n0.063002 0.998810 0.357440 C\n0.593415 0.071684 0.180748 C\n0.465908 0.371340 0.670676 C\n0.930530 0.160041 0.877832 C\n0.406585 0.928316 0.819252 C\n0.598624 0.169209 0.769973 C\n0.387863 0.630441 0.935543 C\n0.422639 0.434039 0.208399 C\n0.069470 0.839959 0.122168 C\n0.566993 0.483995 0.372672 C\n0.977386 0.521941 0.825911 C\n0.575978 0.176560 0.376780 C\n0.794577 0.367013 0.298804 C\n0.627524 0.916025 0.573213 C\n0.872452 0.579422 0.460719 C\n0.696030 0.969008 0.938004 C\n0.061617 0.088690 0.169716 C\n0.249953 0.286327 0.765454 C\n0.622703 0.834107 0.769058 C\n0.433007 0.516005 0.627328 C\n0.018211 0.345593 0.747816 C\n0.750047 0.713673 0.234546 C\n0.326799 0.229920 0.392000 C\n0.424022 0.823440 0.623220 C\n0.994989 0.852158 0.670396 C\n0.938383 0.911310 0.830284 C\n0.844559 0.303392 0.105196 C\n0.303970 0.030992 0.061996 C\n0.842183 0.416985 0.002959 C\n0.155441 0.696608 0.894804 C\n0.435372 0.450104 0.860662 C\n0.868911 0.962544 0.201766 C\n0.564628 0.549896 0.139338 C\n0.394534 0.014999 0.653086 C\n0.022614 0.478059 0.174089 C\n0.907370 0.390267 0.607886 C\n0.612137 0.369559 0.064457 C\n0.534092 0.628660 0.329324 C\n0.668544 0.101503 0.622817 C\n0.605466 0.985001 0.346914 C\n0.981789 0.654407 0.252184 C\n0.157817 0.583015 0.997041 C\n0.127548 0.420578 0.539281 C\n0.131089 0.037456 0.798234 C\n0.577361 0.565961 0.791601 C\n0.192780 0.397786 0.917993 C\n0.936998 0.001190 0.642560 C\n0.098461 0.270629 0.578215 C\n0.972754 0.208794 0.366804 O\n0.098965 0.198079 0.542796 O\n0.865420 0.565985 0.523197 O\n0.143191 0.585064 0.063763 O\n0.737712 0.784560 0.260956 O\n0.057104 0.969088 0.410050 O\n0.315358 0.380220 0.166356 O\n0.262288 0.215440 0.739044 O\n0.096994 0.696944 0.260378 O\n0.500549 0.308468 0.641432 O\n0.210774 0.612300 0.413278 O\n0.596255 0.240559 0.808657 O\n0.696947 0.209429 0.408982 O\n0.499451 0.691532 0.358568 O\n0.857138 0.490707 0.791630 O\n0.027246 0.791206 0.633196 O\n0.243898 0.086390 0.834744 O\n0.618371 0.781355 0.801338 O\n0.756102 0.913610 0.165256 O\n0.508370 0.662348 0.968682 O\n0.171436 0.389212 0.980263 O\n0.943080 0.886650 0.886829 O\n0.142862 0.509293 0.208370 O\n0.253550 0.037519 0.997657 O\n0.307893 0.295100 0.432983 O\n0.861811 0.235748 0.100872 O\n0.403745 0.759441 0.191343 O\n0.856809 0.414936 0.936237 O\n0.828564 0.610788 0.019737 O\n0.903006 0.303056 0.739622 O\n0.454220 0.537416 0.092162 O\n0.138189 0.764252 0.899128 O\n0.901035 0.801921 0.457204 O\n0.429455 0.840228 0.046571 O\n0.712559 0.104441 0.189055 O\n0.789226 0.387700 0.586722 O\n0.293656 0.868548 0.425345 O\n0.375504 0.084928 0.496379 O\n0.134580 0.434015 0.476803 O\n0.381629 0.218645 0.198662 O\n0.545780 0.462584 0.907838 O\n0.303053 0.790571 0.591018 O\n0.570545 0.159772 0.953429 O\n0.706344 0.131452 0.574655 O\n0.942896 0.030912 0.589950 O\n0.746450 0.962481 0.002343 O\n0.271598 0.993823 0.627076 O\n0.491630 0.337652 0.031318 O\n0.684642 0.619780 0.833644 O\n0.624496 0.915072 0.503621 O\n0.541162 0.455615 0.424215 O\n0.728402 0.006177 0.372924 O\n0.056920 0.113350 0.113171 O\n0.692107 0.704900 0.567017 O\n0.287441 0.895559 0.810945 O\n0.458838 0.544385 0.575785 O\n0.137826 0.779614 0.088493 F\n0.690921 0.288381 0.246027 F\n0.988783 0.850191 0.053696 F\n0.011217 0.149809 0.946304 F\n0.976359 0.800734 0.158859 F\n0.862174 0.220386 0.911507 F\n0.023641 0.199266 0.841141 F\n0.781206 0.385119 0.381194 F\n0.077339 0.649351 0.700975 F\n0.218794 0.614881 0.618806 F\n0.309079 0.711619 0.753973 F\n0.922661 0.350649 0.299025 F\n",
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"formula_full": "P4 Ru16 C60 O56 F12",
"formula_reduced": "PRu4C15O14F3",
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"spacegroup": 2
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{
"id": "mp-1039552",
"created_at": "2022-09-04T14:48:17.946100Z",
"structure_string": "Ca3 Mg3\n1.0\n1.805581 6.794808 0.000000\n-1.805581 6.794808 0.000000\n0.000000 2.255420 7.891968\nCa Mg\n3 3\ndirect\n0.611384 0.611384 0.253485 Ca\n0.332506 0.332506 0.327215 Ca\n0.945336 0.945336 0.635147 Ca\n0.002623 0.002623 0.995208 Mg\n0.667136 0.667136 0.678575 Mg\n0.274349 0.274349 0.943703 Mg\n",
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{
"id": "mp-1184621",
"created_at": "2022-09-04T14:48:20.312963Z",
"structure_string": "Ho2 Ag1 Os1\n1.0\n0.000000 3.487910 3.487910\n3.487910 0.000000 3.487910\n3.487910 3.487910 0.000000\nHo Ag Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "Zn1 Cd1 Au2\n1.0\n-5.164011 5.754781 8.138677\n5.164011 -5.754781 8.138677\n5.164011 5.754781 -8.138677\nZn Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.246190 0.246190 Au\n0.000000 0.753810 0.753810 Au\n",
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{
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"structure_string": "K2 Cu1 Bi1 Br6\n1.0\n0.000000 5.518150 5.518150\n5.518150 0.000000 5.518150\n5.518150 5.518150 0.000000\nK Cu Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739298 0.260702 0.260702 Br\n0.260702 0.260702 0.739298 Br\n0.260702 0.739298 0.739298 Br\n0.260702 0.739298 0.260702 Br\n0.739298 0.260702 0.739298 Br\n0.739298 0.739298 0.260702 Br\n",
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{
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"structure_string": "Nd3 Ga6 Ni9\n1.0\n4.446228 -7.701093 0.000000\n4.446228 7.701093 0.000000\n0.000000 0.000000 4.149631\nNd Ga Ni\n3 6 9\ndirect\n0.333333 0.666667 0.500000 Nd\n0.666667 0.333333 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.484058 0.000000 0.000000 Ga\n0.000000 0.484058 0.000000 Ga\n0.515942 0.515942 0.000000 Ga\n0.726634 0.000000 0.500000 Ga\n0.000000 0.726634 0.500000 Ga\n0.273366 0.273366 0.500000 Ga\n0.194832 0.369747 0.000000 Ni\n0.630253 0.825085 0.000000 Ni\n0.174915 0.805168 0.000000 Ni\n0.825085 0.630253 0.000000 Ni\n0.805168 0.174915 0.000000 Ni\n0.369747 0.194832 0.000000 Ni\n0.292339 0.000000 0.500000 Ni\n0.000000 0.292339 0.500000 Ni\n0.707661 0.707661 0.500000 Ni\n",
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{
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{
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{
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{
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"structure_string": "Rb2 Cu4 Br6\n1.0\n5.155281 -6.490723 0.000000\n5.155281 6.490723 0.000000\n0.000000 0.000000 5.247943\nRb Cu Br\n2 4 6\ndirect\n0.308401 0.691599 0.750000 Rb\n0.691599 0.308401 0.250000 Rb\n0.166557 0.166557 0.000000 Cu\n0.166557 0.166557 0.500000 Cu\n0.833443 0.833443 0.500000 Cu\n0.833443 0.833443 0.000000 Cu\n0.413531 0.161055 0.750000 Br\n0.889789 0.110211 0.750000 Br\n0.586469 0.838945 0.250000 Br\n0.838945 0.586469 0.750000 Br\n0.110211 0.889789 0.250000 Br\n0.161055 0.413531 0.250000 Br\n",
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}