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{
"id": "mp-561181",
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"structure_string": "Si28 O56\n1.0\n6.822545 -10.686943 0.000000\n6.822545 10.686943 0.000000\n0.000000 0.000000 12.693834\nSi O\n28 56\ndirect\n0.048134 0.192110 0.375594 Si\n0.046864 0.197538 0.000000 Si\n0.399968 0.838050 0.126390 Si\n0.962452 0.816805 0.623167 Si\n0.956543 0.656823 0.191173 Si\n0.612516 0.175075 0.126668 Si\n0.399968 0.838050 0.873610 Si\n0.357590 0.056104 0.194083 Si\n0.357590 0.056104 0.805917 Si\n0.175075 0.612516 0.873332 Si\n0.192110 0.048134 0.624406 Si\n0.971813 0.821653 0.000000 Si\n0.816805 0.962452 0.376833 Si\n0.838050 0.399968 0.873610 Si\n0.656823 0.956543 0.808827 Si\n0.956543 0.656823 0.808827 Si\n0.056104 0.357590 0.805917 Si\n0.612516 0.175075 0.873332 Si\n0.816805 0.962452 0.623167 Si\n0.821653 0.971813 0.000000 Si\n0.962452 0.816805 0.376833 Si\n0.197538 0.046864 0.000000 Si\n0.192110 0.048134 0.375594 Si\n0.175075 0.612516 0.126668 Si\n0.838050 0.399968 0.126390 Si\n0.056104 0.357590 0.194083 Si\n0.048134 0.192110 0.624406 Si\n0.656823 0.956543 0.191173 Si\n0.780920 0.959750 0.500000 O\n0.927007 0.354684 0.817965 O\n0.125251 0.125251 0.000000 O\n0.490142 0.155576 0.182202 O\n0.067763 0.308124 0.309328 O\n0.702564 0.941843 0.307271 O\n0.085630 0.659967 0.178111 O\n0.938685 0.741284 0.104300 O\n0.055093 0.224124 0.500000 O\n0.412380 0.863454 0.000000 O\n0.856749 0.524939 0.175734 O\n0.524939 0.856749 0.175734 O\n0.277585 0.077333 0.104562 O\n0.941843 0.702564 0.307271 O\n0.067763 0.308124 0.690672 O\n0.077333 0.277585 0.895438 O\n0.155576 0.490142 0.817798 O\n0.149192 0.149192 0.654410 O\n0.659967 0.085630 0.178111 O\n0.524939 0.856749 0.824266 O\n0.088810 0.920904 0.347350 O\n0.659967 0.085630 0.821889 O\n0.277585 0.077333 0.895438 O\n0.741284 0.938685 0.895700 O\n0.920904 0.088810 0.347350 O\n0.856749 0.524939 0.824266 O\n0.705006 0.308016 0.149465 O\n0.594242 0.151451 0.000000 O\n0.959750 0.780920 0.500000 O\n0.077333 0.277585 0.104562 O\n0.155576 0.490142 0.182202 O\n0.149192 0.149192 0.345590 O\n0.860205 0.860205 0.646489 O\n0.354684 0.927007 0.817965 O\n0.927007 0.354684 0.182035 O\n0.088810 0.920904 0.652650 O\n0.490142 0.155576 0.817798 O\n0.896831 0.896831 0.000000 O\n0.308124 0.067763 0.690672 O\n0.151451 0.594242 0.000000 O\n0.224124 0.055093 0.500000 O\n0.908679 0.109998 0.000000 O\n0.702564 0.941843 0.692729 O\n0.705006 0.308016 0.850535 O\n0.920904 0.088810 0.652650 O\n0.085630 0.659967 0.821889 O\n0.860205 0.860205 0.353511 O\n0.354684 0.927007 0.182035 O\n0.308016 0.705006 0.850535 O\n0.941843 0.702564 0.692729 O\n0.863454 0.412380 0.000000 O\n0.308016 0.705006 0.149465 O\n0.109998 0.908679 0.000000 O\n0.308124 0.067763 0.309328 O\n0.741284 0.938685 0.104300 O\n0.938685 0.741284 0.895700 O\n",
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"spacegroup": 38
},
{
"id": "mp-1247669",
"created_at": "2022-09-04T14:40:19.792164Z",
"structure_string": "Sr1 Ca7 Ti3 Mn5 O20\n1.0\n7.935315 -0.015676 -0.049830\n-0.017843 7.915023 -0.066130\n-0.050493 -0.065690 7.927073\nSr Ca Ti Mn O\n1 7 3 5 20\ndirect\n0.233026 0.250428 0.256812 Sr\n0.232218 0.283786 0.686758 Ca\n0.247818 0.743203 0.273195 Ca\n0.232255 0.694702 0.771227 Ca\n0.736412 0.257110 0.292660 Ca\n0.733853 0.305052 0.716841 Ca\n0.733351 0.754929 0.292394 Ca\n0.732751 0.699651 0.758519 Ca\n0.997860 0.022755 0.966464 Ti\n0.986514 0.987444 0.531299 Ti\n0.561900 0.006653 0.003319 Ti\n0.989000 0.482120 0.007394 Mn\n0.986630 0.510178 0.487006 Mn\n0.497384 0.004677 0.519018 Mn\n0.486641 0.500488 0.013209 Mn\n0.484579 0.514073 0.499808 Mn\n0.978902 0.905112 0.758914 O\n0.968647 0.418415 0.238143 O\n0.992616 0.544744 0.764463 O\n0.790036 0.015224 0.078274 O\n0.570167 0.008034 0.776458 O\n0.469569 0.517456 0.759308 O\n0.165280 0.952669 0.094759 O\n0.225051 0.029800 0.507707 O\n0.231858 0.548400 0.042049 O\n0.242860 0.499496 0.483411 O\n0.757220 0.002036 0.443287 O\n0.742600 0.494469 0.984608 O\n0.729493 0.526868 0.504975 O\n0.056301 0.233411 0.922600 O\n0.966753 0.233846 0.552165 O\n0.999125 0.776127 0.416649 O\n0.490682 0.212754 0.088852 O\n0.504526 0.266302 0.485555 O\n0.513175 0.793536 0.071806 O\n0.482946 0.754052 0.450094 O\n",
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},
{
"id": "mp-27758",
"created_at": "2022-09-04T14:40:19.793695Z",
"structure_string": "Al2 Tl4 F10\n1.0\n4.482266 -4.519328 0.000000\n4.482266 4.519328 0.000000\n0.000000 0.000000 7.592248\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.031831 0.490250 0.750000 Tl\n0.968169 0.509750 0.250000 Tl\n0.509750 0.968169 0.750000 Tl\n0.490250 0.031831 0.250000 Tl\n0.200494 0.799506 0.488330 F\n0.202572 0.202572 0.000000 F\n0.009942 0.990058 0.750000 F\n0.797428 0.797428 0.000000 F\n0.797428 0.797428 0.500000 F\n0.202572 0.202572 0.500000 F\n0.799506 0.200494 0.511670 F\n0.200494 0.799506 0.011670 F\n0.799506 0.200494 0.988330 F\n0.990058 0.009942 0.250000 F\n",
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"density": 5.730455834989466,
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"volume": 307.5897577101713,
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"formula_full": "Al2 Tl4 F10",
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"spacegroup": 63
},
{
"id": "mp-1227528",
"created_at": "2022-09-04T14:40:19.801125Z",
"structure_string": "Be6 Al4 Si12 O37\n1.0\n4.650875 -8.055552 0.000000\n4.650875 8.055552 0.000000\n0.000000 0.000000 9.281881\nBe Al Si O\n6 4 12 37\ndirect\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.000000 0.500000 0.500000 Be\n0.666667 0.333333 0.000000 Al\n0.666667 0.333333 0.500000 Al\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 0.000000 Al\n0.387467 0.272121 0.749996 Si\n0.727879 0.115346 0.749996 Si\n0.884654 0.612533 0.749996 Si\n0.272121 0.387467 0.250004 Si\n0.115346 0.727879 0.250004 Si\n0.612533 0.884654 0.250004 Si\n0.612533 0.727879 0.749996 Si\n0.272121 0.884654 0.749996 Si\n0.115346 0.387467 0.749996 Si\n0.727879 0.612533 0.250004 Si\n0.884654 0.272121 0.250004 Si\n0.387467 0.115346 0.250004 Si\n0.309708 0.073927 0.749921 O\n0.926073 0.235781 0.749921 O\n0.764219 0.690292 0.749921 O\n0.073927 0.309708 0.250079 O\n0.235781 0.926073 0.250079 O\n0.690292 0.764219 0.250079 O\n0.690292 0.926073 0.749921 O\n0.073927 0.764219 0.749921 O\n0.235781 0.309708 0.749921 O\n0.926073 0.690292 0.250079 O\n0.764219 0.073927 0.250079 O\n0.309708 0.235781 0.250079 O\n0.498278 0.353792 0.895705 O\n0.646208 0.144486 0.895705 O\n0.855514 0.501722 0.895705 O\n0.498304 0.353815 0.604284 O\n0.646185 0.144489 0.604284 O\n0.855511 0.501696 0.604284 O\n0.353815 0.498304 0.395716 O\n0.144489 0.646185 0.395716 O\n0.501696 0.855511 0.395716 O\n0.353792 0.498278 0.104295 O\n0.144486 0.646208 0.104295 O\n0.501722 0.855514 0.104295 O\n0.501696 0.646185 0.604284 O\n0.353815 0.855511 0.604284 O\n0.144489 0.498304 0.604284 O\n0.501722 0.646208 0.895705 O\n0.353792 0.855514 0.895705 O\n0.144486 0.498278 0.895705 O\n0.646208 0.501722 0.104295 O\n0.855514 0.353792 0.104295 O\n0.498278 0.144486 0.104295 O\n0.646185 0.501696 0.395716 O\n0.855511 0.353815 0.395716 O\n0.498304 0.144489 0.395716 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1226766",
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"structure_string": "Co4 H32 C16 N12 O24\n1.0\n-8.527575 0.000000 0.000000\n0.000000 0.000000 -8.844819\n0.000000 -12.025640 0.000000\nCo H C N O\n4 32 16 12 24\ndirect\n0.249788 0.250790 0.750379 Co\n0.250212 0.249210 0.250379 Co\n0.750212 0.750790 0.250379 Co\n0.749788 0.749210 0.750379 Co\n0.907485 0.073422 0.785679 H\n0.597233 0.072448 0.213625 H\n0.902767 0.427552 0.713625 H\n0.592515 0.426578 0.285679 H\n0.097233 0.927552 0.213625 H\n0.407485 0.926578 0.785679 H\n0.092515 0.573422 0.285679 H\n0.402767 0.572448 0.713625 H\n0.170397 0.931145 0.918674 H\n0.330812 0.932405 0.080763 H\n0.169188 0.567595 0.580763 H\n0.329603 0.568855 0.418674 H\n0.830812 0.067595 0.080763 H\n0.670397 0.068855 0.918674 H\n0.829603 0.431145 0.418674 H\n0.669188 0.432405 0.580763 H\n0.085686 0.752756 0.877687 H\n0.414932 0.755213 0.123347 H\n0.085068 0.744787 0.623347 H\n0.414314 0.747244 0.377687 H\n0.914932 0.244787 0.123347 H\n0.585686 0.247244 0.877687 H\n0.914314 0.252756 0.377687 H\n0.585068 0.255213 0.623347 H\n0.247578 0.326190 0.998844 H\n0.252422 0.173810 0.498844 H\n0.747578 0.673810 0.998844 H\n0.752422 0.826190 0.498844 H\n0.326579 0.541767 0.051536 H\n0.173421 0.958233 0.551536 H\n0.826579 0.458233 0.051536 H\n0.673421 0.041767 0.551536 H\n0.249349 0.741501 0.000744 C\n0.250651 0.758499 0.500744 C\n0.749349 0.258499 0.000744 C\n0.750651 0.241501 0.500744 C\n0.980472 0.014307 0.723102 C\n0.519955 0.015803 0.275241 C\n0.980045 0.484197 0.775241 C\n0.519528 0.485693 0.223102 C\n0.019955 0.984197 0.275241 C\n0.480472 0.985693 0.723102 C\n0.019528 0.514307 0.223102 C\n0.480045 0.515803 0.775241 C\n0.250127 0.201855 0.999548 C\n0.249873 0.298145 0.499548 C\n0.750127 0.798145 0.999548 C\n0.749873 0.701855 0.499548 C\n0.235166 0.589116 0.006486 N\n0.264834 0.910884 0.506486 N\n0.735166 0.410884 0.006486 N\n0.764834 0.089116 0.506486 N\n0.160615 0.815526 0.926473 N\n0.341897 0.816782 0.072304 N\n0.158103 0.683218 0.572304 N\n0.339385 0.684474 0.426473 N\n0.841897 0.183218 0.072304 N\n0.660615 0.184474 0.926473 N\n0.839385 0.315526 0.426473 N\n0.658103 0.316782 0.572304 N\n0.102336 0.080493 0.686485 O\n0.399318 0.084936 0.308489 O\n0.100682 0.415064 0.808489 O\n0.397664 0.419507 0.186485 O\n0.899318 0.915064 0.308489 O\n0.602336 0.919507 0.686485 O\n0.897664 0.580493 0.186485 O\n0.600682 0.584936 0.808489 O\n0.938458 0.882913 0.692760 O\n0.559139 0.883428 0.306676 O\n0.940861 0.616572 0.806676 O\n0.561542 0.617087 0.192760 O\n0.059139 0.116572 0.306676 O\n0.438458 0.117087 0.692760 O\n0.061542 0.382913 0.192760 O\n0.440861 0.383428 0.806676 O\n0.243265 0.133463 0.906097 O\n0.258564 0.133860 0.092661 O\n0.241436 0.366140 0.592661 O\n0.256735 0.366537 0.406097 O\n0.758564 0.866140 0.092661 O\n0.743265 0.866537 0.906097 O\n0.756735 0.633463 0.406097 O\n0.741436 0.633860 0.592661 O\n",
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{
"id": "mp-971757",
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"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.708506 3.708506\n3.708506 0.000000 3.708506\n3.708506 3.708506 0.000000\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
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