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{
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"structure_string": "Sr5 Cd5 P6 O24 F2\n1.0\n7.075983 0.000000 0.000000\n0.000000 9.655110 0.000000\n0.000000 4.826786 8.419646\nSr Cd P O F\n5 5 6 24 2\ndirect\n0.500000 0.749563 0.239701 Sr\n0.500000 0.010643 0.750031 Sr\n0.500000 0.244377 0.009357 Sr\n0.000000 0.245230 0.760181 Sr\n0.000000 0.989111 0.247612 Sr\n0.000000 0.738519 0.010883 Cd\n0.749448 0.331044 0.335555 Cd\n0.248638 0.668240 0.667396 Cd\n0.751362 0.668240 0.667396 Cd\n0.250552 0.331044 0.335555 Cd\n0.500000 0.973303 0.400763 P\n0.500000 0.628607 0.976188 P\n0.500000 0.401422 0.626189 P\n0.000000 0.026739 0.599205 P\n0.000000 0.377217 0.023363 P\n0.000000 0.599769 0.371796 P\n0.500000 0.868597 0.586844 O\n0.500000 0.549606 0.868446 O\n0.500000 0.588384 0.545328 O\n0.000000 0.130579 0.412003 O\n0.000000 0.463688 0.124561 O\n0.000000 0.412819 0.453293 O\n0.500000 0.156210 0.347269 O\n0.500000 0.497033 0.156647 O\n0.500000 0.348395 0.497041 O\n0.000000 0.843581 0.653894 O\n0.000000 0.500801 0.840721 O\n0.000000 0.655258 0.498904 O\n0.675343 0.931915 0.334316 O\n0.677509 0.736957 0.936602 O\n0.675230 0.334667 0.734006 O\n0.176179 0.072228 0.661155 O\n0.174603 0.267561 0.068888 O\n0.174750 0.666173 0.262977 O\n0.823821 0.072228 0.661155 O\n0.825397 0.267561 0.068888 O\n0.825250 0.666173 0.262977 O\n0.324657 0.931915 0.334316 O\n0.322491 0.736957 0.936602 O\n0.324770 0.334667 0.734006 O\n0.500000 0.002448 0.000516 F\n0.000000 0.980530 0.997472 F\n",
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"formula_full": "Sr5 Cd5 P6 O24 F2",
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},
{
"id": "mp-1229301",
"created_at": "2022-09-04T14:43:03.984152Z",
"structure_string": "Ca16 Er8 Sn60 Pt36\n1.0\n0.000000 -4.488548 0.000000\n-7.455597 0.000000 0.003070\n0.032974 0.000000 -80.161052\nCa Er Sn Pt\n16 8 60 36\ndirect\n0.750000 0.251035 0.025632 Ca\n0.750000 0.250918 0.358955 Ca\n0.750000 0.251028 0.692300 Ca\n0.750000 0.750903 0.141049 Ca\n0.750000 0.750899 0.474384 Ca\n0.750000 0.750895 0.807717 Ca\n0.250000 0.748412 0.307764 Ca\n0.250000 0.748743 0.641076 Ca\n0.250000 0.748753 0.974403 Ca\n0.250000 0.248392 0.192235 Ca\n0.250000 0.248829 0.525598 Ca\n0.250000 0.248823 0.858936 Ca\n0.750000 0.282507 0.257690 Ca\n0.750000 0.282568 0.591043 Ca\n0.750000 0.282600 0.924372 Ca\n0.750000 0.782512 0.242305 Ca\n0.750000 0.781445 0.575436 Er\n0.750000 0.781465 0.908767 Er\n0.250000 0.717964 0.075433 Er\n0.250000 0.718044 0.408772 Er\n0.250000 0.718004 0.742090 Er\n0.250000 0.217946 0.091215 Er\n0.250000 0.218017 0.424541 Er\n0.250000 0.217963 0.757871 Er\n0.750000 0.377396 0.067159 Sn\n0.750000 0.377526 0.400496 Sn\n0.750000 0.377401 0.733833 Sn\n0.750000 0.877516 0.099496 Sn\n0.750000 0.877491 0.432835 Sn\n0.750000 0.877472 0.766163 Sn\n0.250000 0.621291 0.266156 Sn\n0.250000 0.621083 0.599557 Sn\n0.250000 0.621021 0.932889 Sn\n0.250000 0.121219 0.233843 Sn\n0.250000 0.123312 0.567269 Sn\n0.250000 0.123269 0.900603 Sn\n0.750000 0.905746 0.282227 Sn\n0.750000 0.906168 0.615514 Sn\n0.750000 0.906109 0.948834 Sn\n0.750000 0.405782 0.217774 Sn\n0.750000 0.405281 0.551059 Sn\n0.750000 0.405310 0.884402 Sn\n0.250000 0.093510 0.051146 Sn\n0.250000 0.093605 0.384474 Sn\n0.250000 0.093559 0.717819 Sn\n0.250000 0.593723 0.115524 Sn\n0.250000 0.593639 0.448852 Sn\n0.250000 0.593809 0.782172 Sn\n0.750000 0.715887 0.043616 Sn\n0.750000 0.715985 0.376948 Sn\n0.750000 0.715733 0.710274 Sn\n0.750000 0.215951 0.123049 Sn\n0.750000 0.215849 0.456379 Sn\n0.750000 0.215722 0.789715 Sn\n0.250000 0.285098 0.289679 Sn\n0.250000 0.283580 0.622961 Sn\n0.250000 0.283686 0.956296 Sn\n0.250000 0.785201 0.210323 Sn\n0.250000 0.785171 0.543603 Sn\n0.250000 0.785242 0.876940 Sn\n0.750000 0.461183 0.318854 Sn\n0.750000 0.461634 0.652148 Sn\n0.750000 0.461622 0.985489 Sn\n0.750000 0.961158 0.181134 Sn\n0.750000 0.962356 0.514479 Sn\n0.750000 0.962409 0.847812 Sn\n0.250000 0.537528 0.014545 Sn\n0.250000 0.537641 0.347879 Sn\n0.250000 0.537537 0.681214 Sn\n0.250000 0.037612 0.152123 Sn\n0.250000 0.037431 0.485468 Sn\n0.250000 0.037383 0.818802 Sn\n0.750000 0.036324 0.318763 Sn\n0.750000 0.036328 0.652147 Sn\n0.750000 0.036315 0.985474 Sn\n0.750000 0.536385 0.181240 Sn\n0.750000 0.535966 0.514501 Sn\n0.750000 0.535975 0.847832 Sn\n0.250000 0.963792 0.014437 Sn\n0.250000 0.963778 0.347747 Sn\n0.250000 0.963827 0.681102 Sn\n0.250000 0.463773 0.152252 Sn\n0.250000 0.463769 0.485577 Sn\n0.250000 0.463819 0.818908 Sn\n0.750000 0.536736 0.285679 Pt\n0.750000 0.536526 0.618940 Pt\n0.750000 0.536404 0.952274 Pt\n0.750000 0.036623 0.214327 Pt\n0.750000 0.029699 0.548201 Pt\n0.750000 0.029744 0.881530 Pt\n0.250000 0.469618 0.048349 Pt\n0.250000 0.469809 0.381693 Pt\n0.250000 0.469692 0.715020 Pt\n0.250000 0.969862 0.118308 Pt\n0.250000 0.969877 0.451655 Pt\n0.250000 0.969964 0.784992 Pt\n0.750000 0.758487 0.009288 Pt\n0.750000 0.758154 0.342663 Pt\n0.750000 0.758432 0.675952 Pt\n0.750000 0.258063 0.157337 Pt\n0.750000 0.258350 0.490726 Pt\n0.750000 0.258250 0.824062 Pt\n0.250000 0.243172 0.324268 Pt\n0.250000 0.242955 0.657542 Pt\n0.250000 0.242936 0.990879 Pt\n0.250000 0.743183 0.175728 Pt\n0.250000 0.742698 0.509151 Pt\n0.250000 0.742666 0.842489 Pt\n0.750000 0.994923 0.067458 Pt\n0.750000 0.994912 0.400810 Pt\n0.750000 0.994910 0.734139 Pt\n0.750000 0.494845 0.099203 Pt\n0.750000 0.494779 0.432557 Pt\n0.750000 0.494711 0.765890 Pt\n0.250000 0.999567 0.266393 Pt\n0.250000 0.996708 0.599308 Pt\n0.250000 0.996780 0.932641 Pt\n0.250000 0.499595 0.233611 Pt\n0.250000 0.508407 0.567109 Pt\n0.250000 0.508411 0.900439 Pt\n",
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"volume": 2682.573519651326,
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"formula_full": "Ca16 Er8 Sn60 Pt36",
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{
"id": "mp-778217",
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"structure_string": "Fe4 Co6 O20\n1.0\n-1.474580 -0.851350 -4.728729\n1.452496 -2.515797 0.000000\n-18.737166 -10.817908 9.307032\nFe Co O\n4 6 20\ndirect\n0.504064 0.000000 0.501714 Fe\n0.104607 0.000000 0.301492 Fe\n0.897022 0.500000 0.199747 Fe\n0.693672 0.000000 0.097029 Fe\n0.296453 0.000000 0.898389 Co\n0.099685 0.500000 0.799864 Co\n0.902519 0.000000 0.701187 Co\n0.704897 0.500000 0.602466 Co\n0.301673 0.500000 0.401541 Co\n0.495955 0.500000 0.996120 Co\n0.599390 0.000000 0.950185 O\n0.193384 0.500000 0.944988 O\n0.995691 0.000000 0.846335 O\n0.400453 0.500000 0.852221 O\n0.204320 0.000000 0.753654 O\n0.799391 0.500000 0.747938 O\n0.603004 0.000000 0.648604 O\n0.815069 0.000000 0.556749 O\n0.003213 0.500000 0.654835 O\n0.400654 0.500000 0.552327 O\n0.604336 0.500000 0.450936 O\n0.192024 0.000000 0.446678 O\n0.410506 0.000000 0.356094 O\n0.999825 0.500000 0.352580 O\n0.791435 0.000000 0.251041 O\n0.224178 0.500000 0.255050 O\n0.002142 0.000000 0.147639 O\n0.570156 0.500000 0.143317 O\n0.802107 0.500000 0.046956 O\n0.388173 0.000000 0.042325 O\n",
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"formula_full": "Fe4 Co6 O20",
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{
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"structure_string": "Fe18 O18 F18\n1.0\n3.092277 0.000000 0.000000\n0.000000 14.134530 0.000000\n0.000000 0.004781 14.135352\nFe O F\n18 18 18\ndirect\n0.000000 0.006192 0.984159 Fe\n0.000000 0.993199 0.674618 Fe\n0.000000 0.985145 0.342130 Fe\n0.500000 0.843878 0.837445 Fe\n0.500000 0.821773 0.496332 Fe\n0.500000 0.844220 0.170870 Fe\n0.000000 0.649509 0.000478 Fe\n0.000000 0.663711 0.657250 Fe\n0.000000 0.668579 0.339500 Fe\n0.500000 0.498646 0.516875 Fe\n0.500000 0.516904 0.828779 Fe\n0.500000 0.492960 0.149033 Fe\n0.000000 0.329789 0.004099 Fe\n0.000000 0.332763 0.655618 Fe\n0.000000 0.321064 0.334994 Fe\n0.500000 0.178711 0.851273 Fe\n0.500000 0.181085 0.502353 Fe\n0.500000 0.182152 0.165033 Fe\n0.500000 0.935785 0.731472 O\n0.500000 0.930636 0.404271 O\n0.000000 0.896255 0.902881 O\n0.000000 0.896490 0.231626 O\n0.000000 0.762511 0.428135 O\n0.500000 0.738251 0.600436 O\n0.500000 0.601681 0.726989 O\n0.500000 0.606883 0.072171 O\n0.000000 0.564841 0.898046 O\n0.000000 0.567405 0.556694 O\n0.000000 0.430022 0.098301 O\n0.500000 0.395515 0.601785 O\n0.500000 0.269314 0.400735 O\n0.500000 0.267306 0.060692 O\n0.000000 0.240833 0.900674 O\n0.000000 0.227107 0.570628 O\n0.000000 0.231452 0.232120 O\n0.500000 0.067558 0.932154 O\n0.500000 0.936520 0.064345 F\n0.000000 0.903469 0.563524 F\n0.000000 0.769346 0.772706 F\n0.000000 0.773252 0.100432 F\n0.500000 0.732185 0.936168 F\n0.500000 0.726049 0.261971 F\n0.500000 0.595193 0.391773 F\n0.000000 0.565686 0.236456 F\n0.000000 0.428790 0.768771 F\n0.000000 0.435723 0.429492 F\n0.500000 0.397325 0.935936 F\n0.500000 0.403689 0.270339 F\n0.500000 0.265758 0.733074 F\n0.000000 0.106854 0.765001 F\n0.000000 0.100710 0.434880 F\n0.000000 0.094347 0.104335 F\n0.500000 0.062911 0.599696 F\n0.500000 0.062067 0.270454 F\n",
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{
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{
"id": "mp-757178",
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"structure_string": "Li12 Mn2 Co2 P4 C4 O28\n1.0\n0.458638 4.990775 6.515387\n-0.464581 -4.992865 6.517216\n8.546328 0.113711 -0.003843\nLi Mn Co P C O\n12 2 2 4 4 28\ndirect\n0.521155 0.730487 0.102185 Li\n0.019604 0.228919 0.102461 Li\n0.479277 0.270845 0.894765 Li\n0.979391 0.770467 0.895431 Li\n0.141537 0.875126 0.271548 Li\n0.641989 0.378075 0.270633 Li\n0.371303 0.108832 0.270818 Li\n0.876072 0.608051 0.271399 Li\n0.627607 0.892873 0.727009 Li\n0.126141 0.393016 0.729224 Li\n0.857015 0.122395 0.727004 Li\n0.357273 0.624100 0.730171 Li\n0.234691 0.015416 0.659926 Mn\n0.734917 0.515012 0.659650 Mn\n0.272275 0.479470 0.336089 Co\n0.768843 0.981266 0.331839 Co\n0.490385 0.760422 0.408131 P\n0.989872 0.259428 0.408621 P\n0.507614 0.242272 0.587288 P\n0.007054 0.742780 0.588222 P\n0.715947 0.034092 0.040982 C\n0.216205 0.533430 0.042473 C\n0.286261 0.963320 0.963925 C\n0.786682 0.463782 0.963926 C\n0.840384 0.909569 0.068004 O\n0.341227 0.408893 0.068097 O\n0.319763 0.929209 0.106620 O\n0.820594 0.430106 0.106626 O\n0.625671 0.124451 0.163597 O\n0.125247 0.622857 0.165366 O\n0.458153 0.292326 0.422615 O\n0.956101 0.794298 0.424525 O\n0.333118 0.916607 0.422799 O\n0.833569 0.416706 0.422760 O\n0.664469 0.085270 0.566929 O\n0.163507 0.585130 0.567070 O\n0.535165 0.716506 0.575596 O\n0.032553 0.214371 0.576304 O\n0.379175 0.869888 0.844371 O\n0.880219 0.370989 0.844416 O\n0.679892 0.070140 0.899283 O\n0.179880 0.570448 0.900955 O\n0.162915 0.087968 0.935882 O\n0.662112 0.587218 0.935804 O\n0.452217 0.611208 0.307825 O\n0.951091 0.111839 0.306270 O\n0.638212 0.799046 0.306409 O\n0.139728 0.297306 0.309749 O\n0.546150 0.388308 0.691427 O\n0.046751 0.887671 0.693079 O\n0.361433 0.203996 0.691205 O\n0.861598 0.703797 0.692696 O\n",
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{
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