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{
"id": "mp-542819",
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"structure_string": "Cs3 B12 H12 Br1\n1.0\n5.045795 -5.316706 0.000000\n5.045795 5.316706 0.000000\n-0.556367 0.000000 7.308752\nCs B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Cs\n0.776411 0.943696 0.943696 B\n0.943696 0.943696 0.776411 B\n0.943696 0.776411 0.943696 B\n0.056304 0.223589 0.056304 B\n0.223589 0.056304 0.056304 B\n0.056304 0.056304 0.223589 B\n0.845993 0.116818 0.116818 B\n0.116818 0.116818 0.845993 B\n0.116818 0.845993 0.116818 B\n0.883182 0.154007 0.883182 B\n0.154007 0.883182 0.883182 B\n0.883182 0.883182 0.154007 B\n0.382815 0.095533 0.095533 H\n0.095533 0.095533 0.382815 H\n0.095533 0.382815 0.095533 H\n0.904467 0.617185 0.904467 H\n0.617185 0.904467 0.904467 H\n0.904467 0.904467 0.617185 H\n0.737062 0.200729 0.200729 H\n0.200729 0.200729 0.737062 H\n0.200729 0.737062 0.200729 H\n0.799271 0.262938 0.799271 H\n0.262938 0.799271 0.799271 H\n0.799271 0.799271 0.262938 H\n0.500000 0.500000 0.500000 Br\n",
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{
"id": "mp-6078",
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"structure_string": "Na4 Cd6 Si6 O20\n1.0\n2.593860 8.403474 0.000000\n-2.593860 8.403474 0.000000\n0.000000 0.854544 11.118795\nNa Cd Si O\n4 6 6 20\ndirect\n0.188752 0.715391 0.467819 Na\n0.284609 0.811248 0.032181 Na\n0.811248 0.284609 0.532181 Na\n0.715391 0.188752 0.967819 Na\n0.370568 0.946406 0.294885 Cd\n0.053594 0.629432 0.205115 Cd\n0.629432 0.053594 0.705115 Cd\n0.946406 0.370568 0.794885 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.541556 0.157342 0.398442 Si\n0.842658 0.458444 0.101558 Si\n0.458444 0.842658 0.601558 Si\n0.157342 0.541556 0.898442 Si\n0.819435 0.180565 0.250000 Si\n0.180565 0.819435 0.750000 Si\n0.848293 0.836484 0.395952 O\n0.163516 0.151707 0.104048 O\n0.151707 0.163516 0.604048 O\n0.836484 0.848293 0.895952 O\n0.314855 0.246596 0.328766 O\n0.753404 0.685145 0.171234 O\n0.685145 0.753404 0.671234 O\n0.246596 0.314855 0.828766 O\n0.551295 0.324516 0.326689 O\n0.675484 0.448705 0.173311 O\n0.448705 0.675484 0.673311 O\n0.324516 0.551295 0.826689 O\n0.031704 0.059558 0.347735 O\n0.940442 0.968296 0.152265 O\n0.968296 0.940442 0.652265 O\n0.059558 0.031704 0.847735 O\n0.708880 0.587494 0.967850 O\n0.412506 0.291120 0.532150 O\n0.291120 0.412506 0.032150 O\n0.587494 0.708880 0.467850 O\n",
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"spacegroup": 15
},
{
"id": "mp-1192757",
"created_at": "2022-09-04T14:39:17.910266Z",
"structure_string": "Cu14 Hg12\n1.0\n0.000000 0.000000 -8.189561\n0.000000 -7.846054 2.729854\n-6.794882 3.923027 2.729854\nCu Hg\n14 12\ndirect\n0.004492 0.000000 0.000000 Cu\n0.503481 0.000000 0.000000 Cu\n0.152518 0.320535 0.320535 Cu\n0.831983 0.679465 0.000000 Cu\n0.831983 0.000000 0.679465 Cu\n0.853949 0.679735 0.679735 Cu\n0.174214 0.320265 0.000000 Cu\n0.174214 0.000000 0.320265 Cu\n0.630786 0.804435 0.804435 Cu\n0.826351 0.195565 0.000000 Cu\n0.826351 0.000000 0.195565 Cu\n0.377025 0.196250 0.196250 Cu\n0.180775 0.803750 0.000000 Cu\n0.180775 0.000000 0.803750 Cu\n0.115124 0.224728 0.611407 Hg\n0.503717 0.388593 0.613322 Hg\n0.890395 0.386678 0.775272 Hg\n0.115124 0.611407 0.224728 Hg\n0.890395 0.775272 0.386678 Hg\n0.503717 0.613322 0.388593 Hg\n0.202093 0.646923 0.646923 Hg\n0.555170 0.353077 0.000000 Hg\n0.555170 0.000000 0.353077 Hg\n0.803058 0.352889 0.352889 Hg\n0.450169 0.647111 0.000000 Hg\n0.450169 0.000000 0.647111 Hg\n",
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{
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"created_at": "2022-09-04T14:39:22.947382Z",
"structure_string": "Cr32 N64\n1.0\n5.336306 -11.221998 0.000000\n5.336306 11.221998 0.000000\n0.000000 0.000000 21.449851\nCr N\n32 64\ndirect\n0.637561 0.279923 0.828369 Cr\n0.720077 0.362439 0.171631 Cr\n0.637561 0.279923 0.671631 Cr\n0.720077 0.362439 0.328369 Cr\n0.362439 0.720077 0.171631 Cr\n0.279923 0.637561 0.828369 Cr\n0.362439 0.720077 0.328369 Cr\n0.279923 0.637561 0.671631 Cr\n0.321452 0.473617 0.940852 Cr\n0.526383 0.678548 0.059148 Cr\n0.321452 0.473617 0.559148 Cr\n0.526383 0.678548 0.440852 Cr\n0.678548 0.526383 0.059148 Cr\n0.473617 0.321452 0.940852 Cr\n0.678548 0.526383 0.440852 Cr\n0.473617 0.321452 0.559148 Cr\n0.962063 0.491052 0.890556 Cr\n0.508948 0.037937 0.109444 Cr\n0.962063 0.491052 0.609444 Cr\n0.508948 0.037937 0.390556 Cr\n0.037937 0.508948 0.109444 Cr\n0.491052 0.962063 0.890556 Cr\n0.037937 0.508948 0.390556 Cr\n0.491052 0.962063 0.609444 Cr\n0.000553 0.309774 0.993819 Cr\n0.690226 0.999447 0.006181 Cr\n0.000553 0.309774 0.506181 Cr\n0.690226 0.999447 0.493819 Cr\n0.999447 0.690226 0.006181 Cr\n0.309774 0.000553 0.993819 Cr\n0.999447 0.690226 0.493819 Cr\n0.309774 0.000553 0.506181 Cr\n0.604145 0.280090 0.750000 N\n0.719910 0.395855 0.250000 N\n0.395855 0.719910 0.250000 N\n0.280090 0.604145 0.750000 N\n0.577227 0.115008 0.848902 N\n0.884992 0.422773 0.151098 N\n0.577227 0.115008 0.651098 N\n0.884992 0.422773 0.348902 N\n0.422773 0.884992 0.151098 N\n0.115008 0.577227 0.848902 N\n0.422773 0.884992 0.348902 N\n0.115008 0.577227 0.651098 N\n0.405307 0.594693 0.000000 N\n0.405307 0.594693 0.500000 N\n0.594693 0.405307 0.000000 N\n0.594693 0.405307 0.500000 N\n0.154559 0.351172 0.968000 N\n0.648828 0.845441 0.032000 N\n0.154559 0.351172 0.532000 N\n0.648828 0.845441 0.468000 N\n0.845441 0.648828 0.032000 N\n0.351172 0.154559 0.968000 N\n0.845441 0.648828 0.468000 N\n0.351172 0.154559 0.532000 N\n0.402415 0.402415 0.928930 N\n0.597585 0.597585 0.071070 N\n0.402415 0.402415 0.571070 N\n0.597585 0.597585 0.428930 N\n0.952239 0.379425 0.942364 N\n0.620575 0.047761 0.057636 N\n0.952239 0.379425 0.557636 N\n0.620575 0.047761 0.442364 N\n0.047761 0.620575 0.057636 N\n0.379425 0.952239 0.942364 N\n0.047761 0.620575 0.442364 N\n0.379425 0.952239 0.557636 N\n0.557209 0.323132 0.875379 N\n0.676868 0.442791 0.124621 N\n0.557209 0.323132 0.624621 N\n0.676868 0.442791 0.375379 N\n0.442791 0.676868 0.124621 N\n0.323132 0.557209 0.875379 N\n0.442791 0.676868 0.375379 N\n0.323132 0.557209 0.624621 N\n0.812759 0.398256 0.844491 N\n0.601744 0.187241 0.155509 N\n0.812759 0.398256 0.655509 N\n0.601744 0.187241 0.344491 N\n0.187241 0.601744 0.155509 N\n0.398256 0.812759 0.844491 N\n0.187241 0.601744 0.344491 N\n0.398256 0.812759 0.655509 N\n0.967736 0.611566 0.934324 N\n0.388434 0.032264 0.065676 N\n0.967736 0.611566 0.565676 N\n0.388434 0.032264 0.434324 N\n0.032264 0.388434 0.065676 N\n0.611566 0.967736 0.934324 N\n0.032264 0.388434 0.434324 N\n0.611566 0.967736 0.565676 N\n0.867361 0.132639 0.000000 N\n0.867361 0.132639 0.500000 N\n0.132639 0.867361 0.000000 N\n0.132639 0.867361 0.500000 N\n",
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{
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"structure_string": "Zn24 P16\n1.0\n8.120691 0.000000 0.000000\n0.000000 8.120691 0.000000\n0.000000 0.000000 11.466590\nZn P\n24 16\ndirect\n0.500000 0.717082 0.606249 Zn\n0.782918 0.000000 0.106249 Zn\n0.217082 0.000000 0.106249 Zn\n0.000000 0.782918 0.893751 Zn\n0.000000 0.217082 0.893751 Zn\n0.500000 0.282918 0.606249 Zn\n0.717082 0.500000 0.393751 Zn\n0.282918 0.500000 0.393751 Zn\n0.500000 0.783043 0.885170 Zn\n0.716957 0.000000 0.385170 Zn\n0.283043 0.000000 0.385170 Zn\n0.000000 0.716957 0.614830 Zn\n0.000000 0.283043 0.614830 Zn\n0.500000 0.216957 0.885170 Zn\n0.783043 0.500000 0.114830 Zn\n0.216957 0.500000 0.114830 Zn\n0.500000 0.746795 0.148155 Zn\n0.753205 0.000000 0.648155 Zn\n0.246795 0.000000 0.648155 Zn\n0.000000 0.753205 0.351845 Zn\n0.000000 0.246795 0.351845 Zn\n0.500000 0.253205 0.148155 Zn\n0.746795 0.500000 0.851845 Zn\n0.253205 0.500000 0.851845 Zn\n0.500000 0.500000 0.746106 P\n0.000000 0.000000 0.246106 P\n0.000000 0.000000 0.753894 P\n0.500000 0.500000 0.253894 P\n0.500000 0.000000 0.745801 P\n0.500000 0.000000 0.245801 P\n0.000000 0.500000 0.754199 P\n0.000000 0.500000 0.254199 P\n0.754391 0.754391 0.500000 P\n0.745609 0.254391 0.000000 P\n0.254391 0.745609 0.000000 P\n0.245609 0.245609 0.500000 P\n0.745609 0.745609 0.000000 P\n0.754391 0.245609 0.500000 P\n0.245609 0.754391 0.500000 P\n0.254391 0.254391 0.000000 P\n",
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{
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"structure_string": "Ho1 Bi1 Te3\n1.0\n10.644755 -2.198715 0.000000\n10.644755 2.198715 0.000000\n10.190602 0.000000 3.781109\nHo Bi Te\n1 1 3\ndirect\n0.398260 0.398260 0.398260 Ho\n0.601224 0.601224 0.601224 Bi\n0.782311 0.782311 0.782311 Te\n0.214162 0.214162 0.214162 Te\n0.004043 0.004043 0.004043 Te\n",
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{
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"structure_string": "Na5 Re1 O6\n1.0\n4.920778 2.874894 0.000000\n-4.920778 2.874894 0.000000\n0.000000 2.020604 5.299674\nNa Re O\n5 1 6\ndirect\n0.829086 0.170914 0.500000 Na\n0.333537 0.666463 0.000000 Na\n0.666463 0.333537 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.170914 0.829086 0.500000 Na\n0.000000 0.000000 0.000000 Re\n0.203063 0.203063 0.202263 O\n0.930191 0.653718 0.213965 O\n0.346282 0.069809 0.786035 O\n0.069809 0.346282 0.786035 O\n0.653718 0.930191 0.213965 O\n0.796937 0.796937 0.797737 O\n",
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{
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"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.424867 0.164983 -2.888169\n-2.532682 9.565303 -1.744844\n-0.366008 -0.569116 9.901206\nSr Mg Te O\n6 1 8 22\ndirect\n0.279552 0.004514 0.147775 Sr\n0.711386 0.938011 0.884174 Sr\n0.822778 0.050476 0.335455 Sr\n0.145192 0.882255 0.692804 Sr\n0.323417 0.547472 0.608731 Sr\n0.677966 0.495099 0.342987 Sr\n0.276337 0.192393 0.612403 Mg\n0.057462 0.305521 0.236769 Te\n0.915173 0.627678 0.768611 Te\n0.017048 0.194086 0.812054 Te\n0.974338 0.751781 0.229230 Te\n0.440658 0.687198 0.033432 Te\n0.559629 0.307569 0.934940 Te\n0.492863 0.822328 0.463754 Te\n0.629293 0.276044 0.575135 Te\n0.001185 0.593503 0.614586 O\n0.992501 0.461750 0.322651 O\n0.431409 0.632054 0.349738 O\n0.586912 0.461449 0.555119 O\n0.820030 0.169552 0.122336 O\n0.158417 0.761979 0.923098 O\n0.758616 0.106799 0.741542 O\n0.277211 0.879826 0.338179 O\n0.401561 0.803299 0.610444 O\n0.591007 0.190470 0.364902 O\n0.036311 0.111601 0.625590 O\n0.962040 0.842866 0.410708 O\n0.459300 0.326742 0.076293 O\n0.484601 0.722819 0.870839 O\n0.524965 0.877209 0.161319 O\n0.425342 0.117384 0.800645 O\n0.935370 0.897554 0.135254 O\n0.095245 0.058811 0.912337 O\n0.140521 0.240454 0.415029 O\n0.807431 0.773069 0.710856 O\n0.689853 0.640262 0.138748 O\n0.391525 0.379075 0.781258 O\n",
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