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{
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{
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{
"id": "mp-703531",
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"structure_string": "Cu2 Si2 H16 O8 F12\n1.0\n9.489976 0.000000 0.000000\n0.000000 6.194008 0.000000\n0.000000 2.441605 6.371092\nCu Si H O F\n2 2 16 8 12\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.299339 0.407332 0.795500 H\n0.799339 0.092668 0.204500 H\n0.700661 0.592668 0.204500 H\n0.200661 0.907332 0.795500 H\n0.715936 0.775210 0.973037 H\n0.215936 0.724790 0.026963 H\n0.284064 0.224790 0.026963 H\n0.784064 0.275210 0.973037 H\n0.845103 0.057686 0.697781 H\n0.345103 0.442314 0.302219 H\n0.154897 0.942314 0.302219 H\n0.654897 0.557686 0.697781 H\n0.401384 0.706063 0.234625 H\n0.901384 0.793937 0.765375 H\n0.598616 0.293937 0.765375 H\n0.098616 0.206063 0.234625 H\n0.353649 0.316174 0.919776 O\n0.853649 0.183826 0.080224 O\n0.646351 0.683826 0.080224 O\n0.146351 0.816174 0.919776 O\n0.862596 0.911944 0.821383 O\n0.362596 0.588056 0.178617 O\n0.137404 0.088056 0.178617 O\n0.637404 0.411944 0.821383 O\n0.433303 0.916212 0.304402 F\n0.933303 0.583788 0.695598 F\n0.566697 0.083788 0.695598 F\n0.066697 0.416212 0.304402 F\n0.357410 0.181072 0.473286 F\n0.857410 0.318928 0.526714 F\n0.642590 0.818928 0.526714 F\n0.142590 0.681072 0.473286 F\n0.408725 0.782887 0.685043 F\n0.908725 0.717113 0.314957 F\n0.591275 0.217113 0.314957 F\n0.091275 0.282887 0.685043 F\n",
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{
"id": "mp-582076",
"created_at": "2022-09-04T14:41:24.467126Z",
"structure_string": "Cs4 W12 Br12 Cl16\n1.0\n5.166130 -8.948000 0.000000\n5.166130 8.948000 0.000000\n0.000000 0.000000 15.919758\nCs W Br Cl\n4 12 12 16\ndirect\n0.000000 0.000000 0.515923 Cs\n0.000000 0.000000 0.015923 Cs\n0.333333 0.666667 0.242136 Cs\n0.666667 0.333333 0.742136 Cs\n0.181980 0.523461 0.679767 W\n0.658519 0.476539 0.179767 W\n0.523461 0.181980 0.179767 W\n0.326704 0.515916 0.814703 W\n0.476539 0.658519 0.679767 W\n0.189211 0.673296 0.814703 W\n0.810789 0.484084 0.314703 W\n0.341481 0.818020 0.679767 W\n0.673296 0.189211 0.314703 W\n0.818020 0.341481 0.179767 W\n0.484084 0.810789 0.814703 W\n0.515916 0.326704 0.314703 W\n0.023921 0.696693 0.402832 Br\n0.696693 0.023921 0.902832 Br\n0.321132 0.959658 0.091300 Br\n0.040342 0.361474 0.091300 Br\n0.976079 0.672772 0.902832 Br\n0.678868 0.638526 0.591300 Br\n0.959658 0.321132 0.591300 Br\n0.327228 0.303307 0.902832 Br\n0.672772 0.976079 0.402832 Br\n0.303307 0.327228 0.402832 Br\n0.361474 0.040342 0.591300 Br\n0.638526 0.678868 0.091300 Br\n0.608461 0.655391 0.813210 Cl\n0.666667 0.333333 0.439680 Cl\n0.333333 0.666667 0.939680 Cl\n0.344609 0.953070 0.813210 Cl\n0.683591 0.061027 0.181229 Cl\n0.953070 0.344609 0.313210 Cl\n0.046930 0.391539 0.813210 Cl\n0.061027 0.683591 0.681229 Cl\n0.391539 0.046930 0.313210 Cl\n0.377436 0.316409 0.181229 Cl\n0.938973 0.622564 0.181229 Cl\n0.666667 0.333333 0.054340 Cl\n0.316409 0.377436 0.681229 Cl\n0.655391 0.608461 0.313210 Cl\n0.333333 0.666667 0.554340 Cl\n0.622564 0.938973 0.681229 Cl\n",
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"formula_full": "Cs4 W12 Br12 Cl16",
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{
"id": "mp-582618",
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"structure_string": "Eu2 C1 N2 Cl2\n1.0\n2.113490 4.838226 0.000000\n-2.113490 4.838226 0.000000\n0.000000 1.037560 7.167812\nEu C N Cl\n2 1 2 2\ndirect\n0.681911 0.681911 0.728827 Eu\n0.318089 0.318089 0.271173 Eu\n0.000000 0.000000 0.500000 C\n0.883596 0.883596 0.447483 N\n0.116404 0.116404 0.552517 N\n0.370352 0.370352 0.850503 Cl\n0.629648 0.629648 0.149497 Cl\n",
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{
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"structure_string": "Al2 Tl4 F10\n1.0\n4.290830 -4.801765 0.000000\n4.290830 4.801765 0.000000\n0.000000 0.000000 7.517869\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.523130 0.934785 0.250000 Tl\n0.476870 0.065215 0.750000 Tl\n0.934785 0.523130 0.750000 Tl\n0.065215 0.476870 0.250000 Tl\n0.211591 0.211591 0.500000 F\n0.788409 0.788409 0.000000 F\n0.788409 0.788409 0.500000 F\n0.211591 0.211591 0.000000 F\n0.030676 0.969324 0.250000 F\n0.969324 0.030676 0.750000 F\n0.186866 0.813134 0.537911 F\n0.813134 0.186866 0.037911 F\n0.813134 0.186866 0.462089 F\n0.186866 0.813134 0.962089 F\n",
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{
"id": "mp-1203205",
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"structure_string": "Cs4 Mg2 Mo4 O24\n1.0\n5.387184 0.000000 -3.094101\n-6.691864 0.000000 -6.304649\n0.000000 12.409389 0.000000\nCs Mg Mo O\n4 2 4 24\ndirect\n0.676002 0.445840 0.314991 Cs\n0.823998 0.054160 0.814991 Cs\n0.323998 0.554160 0.685009 Cs\n0.176002 0.945840 0.185009 Cs\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.104583 0.233487 0.462184 Mo\n0.395417 0.266513 0.962183 Mo\n0.895417 0.766513 0.537817 Mo\n0.604583 0.733487 0.037817 Mo\n0.233664 0.426226 0.438698 O\n0.266336 0.073774 0.938698 O\n0.766336 0.573774 0.561302 O\n0.733664 0.926226 0.061302 O\n0.314944 0.135707 0.438474 O\n0.185056 0.364293 0.938474 O\n0.685056 0.864293 0.561526 O\n0.814944 0.635707 0.061526 O\n0.942935 0.792847 0.392125 O\n0.557065 0.707153 0.892125 O\n0.057065 0.207153 0.607875 O\n0.442935 0.292847 0.107875 O\n0.898507 0.153281 0.344578 O\n0.601493 0.346719 0.844578 O\n0.101493 0.846719 0.655422 O\n0.398507 0.653281 0.155422 O\n0.235634 0.789928 0.502465 O\n0.264366 0.710072 0.002465 O\n0.764366 0.210072 0.497535 O\n0.735634 0.289928 0.997535 O\n0.593861 0.983361 0.336920 O\n0.906139 0.516639 0.836920 O\n0.406139 0.016639 0.663080 O\n0.093861 0.483361 0.163080 O\n",
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{
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"structure_string": "Yb1 Ga8 Cu4\n1.0\n-4.448606 4.448606 2.604871\n4.448606 -4.448606 2.604871\n4.448606 4.448606 -2.604871\nYb Ga Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.345829 0.345829 Ga\n0.000000 0.654171 0.654171 Ga\n0.654171 0.000000 0.654171 Ga\n0.345829 0.000000 0.345829 Ga\n0.500000 0.283985 0.783985 Ga\n0.500000 0.716015 0.216015 Ga\n0.716015 0.500000 0.216015 Ga\n0.283985 0.500000 0.783985 Ga\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
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{
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"structure_string": "Na2 P2 O2 F12\n1.0\n-2.977412 4.397077 5.253775\n2.977412 -4.397077 5.253775\n2.977412 4.397077 -5.253775\nNa P O F\n2 2 2 12\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.250000 0.725233 0.475233 O\n0.750000 0.274767 0.524767 O\n0.007925 0.736095 0.728170 F\n0.992075 0.263905 0.271830 F\n0.507925 0.779755 0.271830 F\n0.492075 0.220245 0.728170 F\n0.977517 0.120824 0.877913 F\n0.757089 0.879176 0.856694 F\n0.477517 0.599604 0.856694 F\n0.257089 0.400396 0.877913 F\n0.022483 0.879176 0.122087 F\n0.242911 0.120824 0.143306 F\n0.522483 0.400396 0.143306 F\n0.742911 0.599604 0.122087 F\n",
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{
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"structure_string": "K2 Mn1 Nb6 Cl18\n1.0\n8.956526 -4.664049 0.000000\n8.956526 4.664049 0.000000\n6.527755 0.000000 7.704618\nK Mn Nb Cl\n2 1 6 18\ndirect\n0.277913 0.277913 0.277913 K\n0.722087 0.722087 0.722087 K\n0.000000 0.000000 0.000000 Mn\n0.589081 0.346781 0.704475 Nb\n0.346781 0.704475 0.589081 Nb\n0.704475 0.589081 0.346781 Nb\n0.295525 0.410919 0.653219 Nb\n0.653219 0.295525 0.410919 Nb\n0.410919 0.653219 0.295525 Nb\n0.780298 0.078776 0.638383 Cl\n0.156079 0.969016 0.699649 Cl\n0.921224 0.361617 0.219702 Cl\n0.561323 0.844720 0.425247 Cl\n0.844720 0.425247 0.561323 Cl\n0.969016 0.699649 0.156079 Cl\n0.638383 0.780298 0.078776 Cl\n0.843921 0.030984 0.300351 Cl\n0.219702 0.921224 0.361617 Cl\n0.361617 0.219702 0.921224 Cl\n0.030984 0.300351 0.843921 Cl\n0.078776 0.638383 0.780298 Cl\n0.155280 0.574753 0.438677 Cl\n0.699649 0.156079 0.969016 Cl\n0.300351 0.843921 0.030984 Cl\n0.425247 0.561323 0.844720 Cl\n0.574753 0.438677 0.155280 Cl\n0.438677 0.155280 0.574753 Cl\n",
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{
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"structure_string": "Y8 Co4 Te8 S8 O56\n1.0\n0.005801 0.036975 8.179427\n4.219417 14.223251 0.212931\n-10.178531 -0.009080 -3.094092\nY Co Te S O\n8 4 8 8 56\ndirect\n0.106676 0.123856 0.352628 Y\n0.606614 0.623809 0.602638 Y\n0.106662 0.123916 0.852645 Y\n0.606747 0.623904 0.102610 Y\n0.393320 0.376075 0.397377 Y\n0.893385 0.876174 0.647365 Y\n0.393344 0.376156 0.897351 Y\n0.893255 0.876109 0.147388 Y\n0.750012 0.249998 0.374991 Co\n0.249999 0.750000 0.125002 Co\n0.250002 0.750001 0.625000 Co\n0.749987 0.250002 0.875007 Co\n0.774872 0.114546 0.065500 Te\n0.275038 0.614463 0.315484 Te\n0.774894 0.114560 0.565528 Te\n0.274892 0.614572 0.815521 Te\n0.725157 0.385426 0.684501 Te\n0.224967 0.885535 0.934523 Te\n0.725076 0.385465 0.184464 Te\n0.225101 0.885433 0.434480 Te\n0.375806 0.127806 0.195634 S\n0.876048 0.627913 0.445737 S\n0.375879 0.127861 0.695688 S\n0.875789 0.627803 0.945633 S\n0.124176 0.372177 0.554338 S\n0.623941 0.872083 0.804258 S\n0.124139 0.372158 0.054341 S\n0.624228 0.872199 0.304373 S\n0.925829 0.030817 0.141515 O\n0.426029 0.530784 0.391469 O\n0.925863 0.030896 0.641575 O\n0.425826 0.530850 0.891604 O\n0.574163 0.469113 0.608413 O\n0.073979 0.969204 0.858522 O\n0.574142 0.469172 0.108494 O\n0.074169 0.969166 0.358412 O\n0.880915 0.212327 0.230741 O\n0.380873 0.712312 0.480607 O\n0.880832 0.212395 0.730686 O\n0.380977 0.712338 0.980793 O\n0.619119 0.287631 0.519266 O\n0.119136 0.787682 0.769405 O\n0.619124 0.287649 0.019297 O\n0.119025 0.787666 0.269205 O\n0.328186 0.115601 0.545945 O\n0.828106 0.615581 0.795898 O\n0.328133 0.115593 0.045893 O\n0.828379 0.615632 0.295992 O\n0.171817 0.384399 0.204085 O\n0.671898 0.884421 0.454113 O\n0.171868 0.384408 0.704074 O\n0.671612 0.884365 0.953996 O\n0.565107 0.136974 0.250829 O\n0.065443 0.637100 0.500916 O\n0.565191 0.137025 0.750861 O\n0.065051 0.636967 0.000834 O\n0.934882 0.363013 0.499168 O\n0.434557 0.862895 0.749079 O\n0.934819 0.362990 0.999144 O\n0.434950 0.863035 0.249168 O\n0.903240 0.153985 0.464520 O\n0.403258 0.653758 0.714408 O\n0.903208 0.153926 0.964482 O\n0.403280 0.654002 0.214506 O\n0.596766 0.346013 0.285485 O\n0.096741 0.846242 0.535596 O\n0.596789 0.346077 0.785511 O\n0.096713 0.845995 0.035492 O\n0.301390 0.047647 0.223940 O\n0.801776 0.547730 0.474116 O\n0.301484 0.047700 0.724047 O\n0.801335 0.547656 0.973955 O\n0.198596 0.452316 0.525983 O\n0.698221 0.952264 0.775867 O\n0.198532 0.452339 0.026033 O\n0.698667 0.952349 0.276059 O\n0.298348 0.212770 0.266920 O\n0.798569 0.712844 0.516981 O\n0.298396 0.212818 0.766938 O\n0.798305 0.712781 0.016907 O\n0.201629 0.287193 0.483066 O\n0.701439 0.787147 0.733019 O\n0.201619 0.287220 0.983070 O\n0.701694 0.787229 0.233098 O\n",
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"formula_full": "Y8 Co4 Te8 S8 O56",
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}
]
}