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{
"id": "mp-1194612",
"created_at": "2022-09-04T14:39:17.397847Z",
"structure_string": "Y4 Nb4 Te8 O32\n1.0\n3.858113 -4.070641 0.000000\n3.858113 4.070641 0.000000\n0.000000 0.000000 22.260380\nY Nb Te O\n4 4 8 32\ndirect\n0.253051 0.253051 0.000000 Y\n0.746949 0.746949 0.000000 Y\n0.246949 0.246949 0.500000 Y\n0.753051 0.753051 0.500000 Y\n0.246639 0.253361 0.750000 Nb\n0.746639 0.753361 0.750000 Nb\n0.753361 0.746639 0.250000 Nb\n0.253361 0.246639 0.250000 Nb\n0.808826 0.191174 0.894082 Te\n0.191174 0.808826 0.105918 Te\n0.323214 0.676786 0.869552 Te\n0.676786 0.323214 0.130448 Te\n0.823214 0.176786 0.630448 Te\n0.176786 0.823214 0.369552 Te\n0.308826 0.691174 0.605918 Te\n0.691174 0.308826 0.394082 Te\n0.552389 0.066971 0.943288 O\n0.933029 0.447611 0.943288 O\n0.447611 0.933029 0.056712 O\n0.066971 0.552389 0.056712 O\n0.015398 0.984602 0.935600 O\n0.984602 0.015398 0.064400 O\n0.429646 0.570354 0.944703 O\n0.570354 0.429646 0.055297 O\n0.274470 0.355138 0.839278 O\n0.644862 0.725530 0.839278 O\n0.725530 0.644862 0.160722 O\n0.355138 0.274470 0.160722 O\n0.929646 0.070354 0.555297 O\n0.070354 0.929646 0.444703 O\n0.144862 0.225530 0.660722 O\n0.774470 0.855138 0.660722 O\n0.855138 0.774470 0.339278 O\n0.225530 0.144862 0.339278 O\n0.052389 0.566971 0.556712 O\n0.433029 0.947611 0.556712 O\n0.947611 0.433029 0.443288 O\n0.566971 0.052389 0.443288 O\n0.515398 0.484602 0.564400 O\n0.484602 0.515398 0.435600 O\n0.973817 0.026183 0.771008 O\n0.026183 0.973817 0.228992 O\n0.971112 0.528888 0.750000 O\n0.471112 0.028888 0.750000 O\n0.028888 0.471112 0.250000 O\n0.528888 0.971112 0.250000 O\n0.473817 0.526183 0.728992 O\n0.526183 0.473817 0.271008 O\n",
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},
{
"id": "mp-1076810",
"created_at": "2022-09-04T14:39:26.743075Z",
"structure_string": "La16 Sm16 Ni32 O80\n1.0\n-0.000292 -0.002802 10.806639\n11.347393 -0.000424 -0.000253\n-5.674151 15.606185 -5.406964\nLa Sm Ni O\n16 16 32 80\ndirect\n0.308639 0.060948 0.608208 La\n0.309626 0.563720 0.610741 La\n0.806176 0.061266 0.608738 La\n0.807905 0.563594 0.610979 La\n0.198551 0.437538 0.388771 La\n0.197305 0.441155 0.892361 La\n0.696218 0.437694 0.388930 La\n0.694604 0.935798 0.387663 La\n0.057901 0.296691 0.609188 La\n0.057134 0.798332 0.610181 La\n0.558800 0.298133 0.610856 La\n0.445714 0.200891 0.387944 La\n0.449274 0.202923 0.891469 La\n0.948063 0.200915 0.387709 La\n0.947464 0.202446 0.891535 La\n0.947880 0.702962 0.388849 La\n0.303727 0.064106 0.106634 Sm\n0.304836 0.564540 0.110219 Sm\n0.802890 0.062790 0.105507 Sm\n0.804267 0.563561 0.107527 Sm\n0.198492 0.933774 0.390294 Sm\n0.197738 0.935972 0.894452 Sm\n0.698480 0.438569 0.893810 Sm\n0.696335 0.935245 0.892209 Sm\n0.053693 0.293850 0.108033 Sm\n0.054516 0.794835 0.108570 Sm\n0.554314 0.294096 0.107718 Sm\n0.553137 0.793420 0.106791 Sm\n0.555597 0.793256 0.607154 Sm\n0.447506 0.707180 0.392245 Sm\n0.448880 0.707628 0.894615 Sm\n0.946711 0.708181 0.895187 Sm\n0.006846 0.000164 0.001377 Ni\n0.005764 0.999466 0.498528 Ni\n0.007086 0.500953 0.001738 Ni\n0.005508 0.499666 0.499261 Ni\n0.507065 0.000077 0.001217 Ni\n0.505329 0.999116 0.499348 Ni\n0.507418 0.500665 0.001454 Ni\n0.505184 0.500067 0.498894 Ni\n0.257380 0.251774 0.002083 Ni\n0.255688 0.248594 0.498787 Ni\n0.257082 0.751445 0.001777 Ni\n0.256430 0.749591 0.499396 Ni\n0.757030 0.250974 0.001343 Ni\n0.754975 0.249889 0.499090 Ni\n0.757290 0.749890 0.000996 Ni\n0.754575 0.749656 0.499232 Ni\n0.106283 0.092776 0.246783 Ni\n0.110245 0.094782 0.752115 Ni\n0.108825 0.596151 0.247143 Ni\n0.110050 0.600209 0.753029 Ni\n0.605983 0.093597 0.245977 Ni\n0.609497 0.094432 0.751575 Ni\n0.604282 0.595553 0.246830 Ni\n0.610194 0.600718 0.753289 Ni\n0.356602 0.404487 0.247045 Ni\n0.362288 0.407077 0.752364 Ni\n0.354719 0.900314 0.247448 Ni\n0.362148 0.902247 0.752502 Ni\n0.856469 0.402425 0.246181 Ni\n0.857777 0.407599 0.753106 Ni\n0.858030 0.901639 0.246108 Ni\n0.856932 0.901778 0.752111 Ni\n0.121012 0.115401 0.480621 O\n0.121458 0.118669 0.984116 O\n0.120837 0.619875 0.484107 O\n0.116354 0.623539 0.983004 O\n0.619248 0.119049 0.483417 O\n0.621202 0.117936 0.983213 O\n0.616250 0.622275 0.482860 O\n0.618143 0.618592 0.980107 O\n0.139711 0.383691 0.023967 O\n0.136405 0.379990 0.515952 O\n0.137233 0.881184 0.019774 O\n0.136582 0.879828 0.513827 O\n0.639496 0.383051 0.021957 O\n0.636544 0.381849 0.516775 O\n0.636475 0.879284 0.018847 O\n0.632978 0.877426 0.517079 O\n0.365781 0.108796 0.480028 O\n0.366531 0.109962 0.982653 O\n0.372780 0.617234 0.482560 O\n0.372174 0.616212 0.983669 O\n0.869777 0.113923 0.483168 O\n0.865644 0.108931 0.981724 O\n0.869673 0.614572 0.483936 O\n0.867552 0.611001 0.980631 O\n0.389404 0.390927 0.023330 O\n0.386310 0.386142 0.516494 O\n0.387033 0.888846 0.019437 O\n0.388286 0.882475 0.515090 O\n0.887440 0.389914 0.021123 O\n0.886032 0.385895 0.516160 O\n0.887760 0.887697 0.019562 O\n0.885629 0.885013 0.514818 O\n0.092425 0.108079 0.136905 O\n0.085501 0.101810 0.638494 O\n0.092233 0.610609 0.136670 O\n0.084171 0.605626 0.638910 O\n0.591944 0.108390 0.136136 O\n0.584214 0.103970 0.638412 O\n0.591742 0.610068 0.136876 O\n0.583336 0.606994 0.638750 O\n0.444510 0.395653 0.361098 O\n0.455259 0.394792 0.863717 O\n0.444853 0.893889 0.361816 O\n0.456980 0.892624 0.864136 O\n0.945003 0.397096 0.360730 O\n0.948212 0.394262 0.864481 O\n0.951940 0.896215 0.360117 O\n0.954742 0.893105 0.863905 O\n0.343737 0.278445 0.137559 O\n0.335817 0.285303 0.638533 O\n0.341041 0.777804 0.136740 O\n0.340874 0.785661 0.638048 O\n0.842969 0.277344 0.136417 O\n0.833437 0.286492 0.639559 O\n0.842220 0.776997 0.135638 O\n0.832296 0.784445 0.637773 O\n0.194665 0.216094 0.360442 O\n0.198136 0.220886 0.863782 O\n0.201543 0.716716 0.361216 O\n0.206667 0.721274 0.864448 O\n0.693954 0.214292 0.360566 O\n0.697703 0.221634 0.863216 O\n0.694132 0.715198 0.361406 O\n0.706411 0.722960 0.864190 O\n0.416479 0.067230 0.243878 O\n0.422624 0.069180 0.750965 O\n0.416299 0.575671 0.249604 O\n0.424128 0.577664 0.756348 O\n0.916299 0.069129 0.243019 O\n0.922223 0.067737 0.750592 O\n0.918493 0.569856 0.244451 O\n0.924305 0.576953 0.757166 O\n0.166453 0.425232 0.243839 O\n0.174043 0.432378 0.751013 O\n0.166505 0.924075 0.249204 O\n0.175830 0.929267 0.756592 O\n0.666539 0.425538 0.243874 O\n0.671628 0.433009 0.755800 O\n0.667962 0.924466 0.244246 O\n0.668441 0.924929 0.751502 O\n",
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"elements": [
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],
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"formula_full": "La16 Sm16 Ni32 O80",
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"updated_at": "2021-11-28T01:34:25.635000Z",
"spacegroup": 1
},
{
"id": "mp-1226902",
"created_at": "2022-09-04T14:39:39.758196Z",
"structure_string": "Ce3 Si3 Pt1\n1.0\n-4.094732 0.000000 0.000000\n0.000000 -4.186401 0.000000\n-2.047366 -2.093201 9.135068\nCe Si Pt\n3 3 1\ndirect\n0.000520 0.000520 0.998961 Ce\n0.685081 0.185081 0.629838 Ce\n0.314704 0.814704 0.370593 Ce\n0.859318 0.359318 0.281365 Si\n0.140181 0.640181 0.719637 Si\n0.565366 0.565366 0.869268 Si\n0.434831 0.434831 0.130339 Pt\n",
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],
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"density": 7.419518823024436,
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"formula_full": "Ce3 Si3 Pt1",
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{
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"structure_string": "Zn6 Ru2\n1.0\n-1.897034 1.897034 7.796809\n1.897034 -1.897034 7.796809\n1.897034 1.897034 -7.796809\nZn Ru\n6 2\ndirect\n0.628974 0.628974 0.000000 Zn\n0.371026 0.371026 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.882941 0.882941 0.000000 Ru\n0.117059 0.117059 0.000000 Ru\n",
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{
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"structure_string": "Li16 U4 F32\n1.0\n5.893483 0.000000 0.000000\n0.000000 9.964803 0.000000\n0.000000 0.000000 10.127885\nLi U F\n16 4 32\ndirect\n0.129532 0.100539 0.579628 Li\n0.629532 0.399461 0.420372 Li\n0.870468 0.899461 0.079628 Li\n0.370468 0.600539 0.920372 Li\n0.129532 0.100539 0.920372 Li\n0.629532 0.399461 0.079628 Li\n0.621224 0.127939 0.554014 Li\n0.121224 0.372061 0.445986 Li\n0.378776 0.872061 0.054014 Li\n0.878776 0.627939 0.945986 Li\n0.378776 0.872061 0.445986 Li\n0.878776 0.627939 0.554014 Li\n0.621224 0.127939 0.945986 Li\n0.121224 0.372061 0.054014 Li\n0.870468 0.899461 0.420372 Li\n0.370468 0.600539 0.579628 Li\n0.131163 0.637123 0.250000 U\n0.631163 0.862877 0.750000 U\n0.868837 0.362877 0.750000 U\n0.368837 0.137123 0.250000 U\n0.889595 0.518175 0.384117 F\n0.889595 0.518175 0.115883 F\n0.610405 0.018175 0.384117 F\n0.110405 0.481825 0.615883 F\n0.374200 0.238020 0.031484 F\n0.874200 0.261980 0.968516 F\n0.625800 0.761980 0.531484 F\n0.389595 0.981825 0.884117 F\n0.625800 0.761980 0.968516 F\n0.125800 0.738020 0.031484 F\n0.374200 0.238020 0.468516 F\n0.874200 0.261980 0.531484 F\n0.121867 0.302265 0.250000 F\n0.621867 0.197735 0.750000 F\n0.878133 0.697735 0.750000 F\n0.378133 0.802265 0.250000 F\n0.624561 0.297978 0.250000 F\n0.124561 0.202022 0.750000 F\n0.375439 0.702022 0.750000 F\n0.875439 0.797978 0.250000 F\n0.110405 0.481825 0.884117 F\n0.610405 0.018175 0.115883 F\n0.637807 0.483930 0.610651 F\n0.137807 0.016070 0.389349 F\n0.362193 0.516070 0.110651 F\n0.862193 0.983930 0.889349 F\n0.362193 0.516070 0.389349 F\n0.862193 0.983930 0.610651 F\n0.637807 0.483930 0.889349 F\n0.137807 0.016070 0.110651 F\n0.125800 0.738020 0.468516 F\n0.389595 0.981825 0.615883 F\n",
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"formula_full": "Li16 U4 F32",
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},
{
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