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{
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{
"id": "mp-1194853",
"created_at": "2022-09-04T14:39:46.248865Z",
"structure_string": "Cs8 In8 Hg8 S24\n1.0\n5.826245 5.827630 0.000000\n-5.826245 5.827630 0.000000\n0.000000 2.910740 22.242549\nCs In Hg S\n8 8 8 24\ndirect\n0.105123 0.231113 0.077127 Cs\n0.768887 0.894877 0.422873 Cs\n0.894877 0.768887 0.922873 Cs\n0.231113 0.105123 0.577127 Cs\n0.606045 0.230564 0.077237 Cs\n0.769436 0.393955 0.422763 Cs\n0.393955 0.769436 0.922763 Cs\n0.230564 0.606045 0.577237 Cs\n0.280057 0.655422 0.377980 In\n0.344578 0.719943 0.122020 In\n0.719943 0.344578 0.622020 In\n0.655422 0.280057 0.877980 In\n0.844358 0.718947 0.122801 In\n0.281053 0.155642 0.377199 In\n0.155642 0.281053 0.877199 In\n0.718946 0.844358 0.622801 In\n0.065611 0.439744 0.250002 Hg\n0.560256 0.934389 0.249998 Hg\n0.934389 0.560256 0.749998 Hg\n0.439744 0.065611 0.750002 Hg\n0.064473 0.935527 0.250000 Hg\n0.935527 0.064473 0.750000 Hg\n0.559608 0.440392 0.250000 Hg\n0.440392 0.559608 0.750000 Hg\n0.110524 0.735575 0.056508 S\n0.264425 0.889476 0.443492 S\n0.889476 0.264425 0.943492 S\n0.735575 0.110524 0.556508 S\n0.330479 0.444626 0.178498 S\n0.555374 0.669521 0.321502 S\n0.669521 0.555374 0.821502 S\n0.444626 0.330479 0.678498 S\n0.033497 0.669812 0.321206 S\n0.330188 0.966503 0.178794 S\n0.966503 0.330188 0.678794 S\n0.669812 0.033497 0.821206 S\n0.263650 0.388785 0.443514 S\n0.611215 0.736350 0.056486 S\n0.736350 0.611215 0.556486 S\n0.388785 0.263650 0.943514 S\n0.830029 0.444773 0.180018 S\n0.555227 0.169971 0.319982 S\n0.169971 0.555227 0.819982 S\n0.444773 0.830029 0.680018 S\n0.034724 0.170051 0.320273 S\n0.829949 0.965276 0.179727 S\n0.965276 0.829949 0.679727 S\n0.170051 0.034724 0.820273 S\n",
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"formula_full": "Cs8 In8 Hg8 S24",
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{
"id": "mp-830",
"created_at": "2022-09-04T14:40:04.266075Z",
"structure_string": "Ga1 N1\n1.0\n0.000000 2.272788 2.272788\n2.272788 0.000000 2.272788\n2.272788 2.272788 0.000000\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 N\n",
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{
"id": "mp-1032578",
"created_at": "2022-09-04T14:39:47.953035Z",
"structure_string": "Cs1 Y1 Mg6 O8\n1.0\n9.436100 0.000000 -0.000000\n0.000000 4.711583 -0.000000\n-0.000000 -0.000000 4.711583\nCs Y Mg O\n1 1 6 8\ndirect\n0.500000 0.000000 0.000000 Cs\n-0.000000 0.000000 0.000000 Y\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256043 0.000000 0.500000 Mg\n0.743957 -0.000000 0.500000 Mg\n0.256043 0.500000 0.000000 Mg\n0.743957 0.500000 -0.000000 Mg\n0.225377 -0.000000 0.000000 O\n0.774623 0.000000 -0.000000 O\n0.247490 0.500000 0.500000 O\n0.752510 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"density_atomic": 0.07638248011908202,
"volume": 209.4721194579652,
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"formula_full": "Cs1 Y1 Mg6 O8",
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},
{
"id": "mp-1191353",
"created_at": "2022-09-04T14:39:58.541250Z",
"structure_string": "Rb4 Ga4 H16\n1.0\n5.921422 0.000000 0.000000\n0.000000 7.812334 0.000000\n0.000000 0.000000 9.717860\nRb Ga H\n4 4 16\ndirect\n0.250000 0.337477 0.682542 Rb\n0.250000 0.162523 0.182542 Rb\n0.750000 0.662523 0.317458 Rb\n0.750000 0.837477 0.817458 Rb\n0.250000 0.693146 0.062142 Ga\n0.250000 0.806854 0.562142 Ga\n0.750000 0.306854 0.937858 Ga\n0.750000 0.193146 0.437858 Ga\n0.250000 0.614122 0.911528 H\n0.250000 0.885878 0.411528 H\n0.750000 0.385878 0.088472 H\n0.750000 0.114122 0.588472 H\n0.250000 0.550605 0.179589 H\n0.250000 0.949395 0.679589 H\n0.750000 0.449395 0.820411 H\n0.750000 0.050605 0.320411 H\n0.968664 0.187471 0.918165 H\n0.531336 0.312529 0.418165 H\n0.468664 0.812529 0.081835 H\n0.031336 0.687471 0.581835 H\n0.031336 0.812529 0.081835 H\n0.468664 0.687471 0.581835 H\n0.531336 0.187471 0.918165 H\n0.968664 0.312529 0.418165 H\n",
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"formula_full": "Rb4 Ga4 H16",
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"spacegroup": 62
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{
"id": "mp-1204865",
"created_at": "2022-09-04T14:39:47.333659Z",
"structure_string": "K8 Ce4 H8 S12 O52\n1.0\n0.000000 -7.294802 0.000000\n-10.550159 -3.647401 0.000000\n-0.607561 -3.647401 -15.329223\nK Ce H S O\n8 4 8 12 52\ndirect\n0.123073 0.102893 0.339386 K\n0.565352 0.897107 0.660614 K\n0.996691 0.504855 0.208584 K\n0.710131 0.495145 0.791416 K\n0.159350 0.500000 0.500000 K\n0.750526 0.000000 0.000000 K\n0.633612 0.228804 0.230726 K\n0.093142 0.771196 0.769274 K\n0.737514 0.244814 0.583838 Ce\n0.566166 0.755186 0.416162 Ce\n0.231132 0.316830 0.922491 Ce\n0.470453 0.683170 0.077509 Ce\n0.187180 0.204876 0.557177 H\n0.949233 0.795124 0.442823 H\n0.108390 0.223190 0.659382 H\n0.990962 0.776810 0.340618 H\n0.233329 0.038573 0.900364 H\n0.172266 0.961427 0.099636 H\n0.057792 0.134528 0.864570 H\n0.056889 0.865472 0.135430 H\n0.781113 0.391733 0.405422 S\n0.578267 0.608267 0.594578 S\n0.201607 0.206595 0.111820 S\n0.520022 0.793405 0.888180 S\n0.018988 0.643535 0.002278 S\n0.664801 0.356465 0.997722 S\n0.713549 0.139438 0.776440 S\n0.629427 0.860562 0.223560 S\n0.245339 0.407894 0.726797 S\n0.380031 0.592106 0.273203 S\n0.564898 0.077009 0.452515 S\n0.094422 0.922991 0.547485 S\n0.073993 0.247695 0.602189 O\n0.923877 0.752305 0.397811 O\n0.136253 0.124288 0.909137 O\n0.169679 0.875712 0.090863 O\n0.772961 0.527299 0.396998 O\n0.697258 0.472701 0.603002 O\n0.940381 0.317612 0.454800 O\n0.712792 0.682388 0.545200 O\n0.824913 0.340953 0.318825 O\n0.484691 0.659047 0.681175 O\n0.596055 0.372414 0.462540 O\n0.431009 0.627586 0.537460 O\n0.074893 0.329823 0.074690 O\n0.479406 0.670177 0.925310 O\n0.084370 0.120853 0.148595 O\n0.353819 0.879147 0.851405 O\n0.351753 0.152711 0.030226 O\n0.534691 0.847289 0.969774 O\n0.292756 0.235707 0.177228 O\n0.705691 0.764293 0.822772 O\n0.152352 0.628547 0.063807 O\n0.844706 0.371453 0.936193 O\n0.998011 0.759839 0.948303 O\n0.706153 0.240161 0.051697 O\n0.821204 0.638292 0.055524 O\n0.515019 0.361708 0.944476 O\n0.098242 0.530776 0.944860 O\n0.573878 0.469224 0.055140 O\n0.520525 0.164785 0.839521 O\n0.524831 0.835215 0.160479 O\n0.749163 0.261228 0.736257 O\n0.746647 0.738772 0.263743 O\n0.704097 0.076650 0.698563 O\n0.479310 0.923350 0.301437 O\n0.874568 0.062258 0.818802 O\n0.755628 0.937742 0.181198 O\n0.397764 0.338368 0.652553 O\n0.388685 0.661632 0.347447 O\n0.343722 0.438075 0.791534 O\n0.573330 0.561925 0.208466 O\n0.136719 0.319739 0.777806 O\n0.234264 0.680261 0.222194 O\n0.108792 0.521004 0.693397 O\n0.323193 0.478996 0.306603 O\n0.573836 0.939287 0.472633 O\n0.985756 0.060713 0.527367 O\n0.572330 0.122907 0.538816 O\n0.234053 0.877093 0.461184 O\n0.373829 0.151433 0.430838 O\n0.956100 0.848567 0.569162 O\n0.735733 0.084639 0.384690 O\n0.205062 0.915361 0.615310 O\n",
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"formula_full": "K8 Ce4 H8 S12 O52",
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{
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"structure_string": "V4 I4 O28\n1.0\n9.639431 0.000000 0.000000\n0.000000 11.494307 0.000000\n-0.382818 0.000000 6.771510\nV I O\n4 4 28\ndirect\n0.679977 0.277187 0.924160 V\n0.320023 0.777187 0.575840 V\n0.320023 0.722813 0.075840 V\n0.679977 0.222813 0.424160 V\n0.216451 0.523818 0.736625 I\n0.783549 0.023818 0.763375 I\n0.783549 0.476182 0.263375 I\n0.216451 0.976182 0.236625 I\n0.734074 0.282898 0.677092 O\n0.265926 0.782898 0.822908 O\n0.265926 0.717102 0.322908 O\n0.734074 0.217102 0.177092 O\n0.161832 0.246735 0.736617 O\n0.838168 0.746735 0.763383 O\n0.838168 0.753265 0.263383 O\n0.161832 0.253265 0.236617 O\n0.785380 0.080024 0.503046 O\n0.214620 0.580024 0.996954 O\n0.214620 0.919976 0.496954 O\n0.785380 0.419976 0.003046 O\n0.929162 0.095424 0.881889 O\n0.070838 0.595424 0.618111 O\n0.070838 0.904576 0.118111 O\n0.929162 0.404576 0.381889 O\n0.523170 0.326289 0.924277 O\n0.476830 0.826289 0.575723 O\n0.476830 0.673711 0.075723 O\n0.523170 0.173711 0.424277 O\n0.636787 0.103275 0.864589 O\n0.363213 0.603275 0.635411 O\n0.363213 0.896725 0.135411 O\n0.636787 0.396725 0.364589 O\n0.247696 0.198824 0.636155 O\n0.752304 0.698824 0.863845 O\n0.752304 0.801176 0.363845 O\n0.247696 0.301176 0.136155 O\n",
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{
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"structure_string": "Ba8 Pd2\n1.0\n0.000000 6.702347 6.702347\n6.702347 0.000000 6.702347\n6.702347 6.702347 0.000000\nBa Pd\n8 2\ndirect\n0.378543 0.378543 0.378543 Ba\n0.378543 0.378543 0.864371 Ba\n0.378543 0.864371 0.378543 Ba\n0.871457 0.871457 0.385629 Ba\n0.871457 0.871457 0.871457 Ba\n0.864371 0.378543 0.378543 Ba\n0.871457 0.385629 0.871457 Ba\n0.385629 0.871457 0.871457 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
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{
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"structure_string": "Co20 Sn10 O40\n1.0\n5.423350 -0.038004 3.046701\n1.768612 5.096231 3.051401\n0.015544 0.040551 30.435772\nCo Sn O\n20 10 40\ndirect\n0.238968 0.251240 0.048772 Co\n0.012357 0.015029 0.197409 Co\n0.620017 0.638195 0.024827 Co\n0.232960 0.235785 0.254307 Co\n0.012433 0.011006 0.398447 Co\n0.621474 0.627413 0.125037 Co\n0.622701 0.626133 0.225337 Co\n0.234290 0.235665 0.453928 Co\n0.012764 0.010095 0.598419 Co\n0.623837 0.624232 0.325513 Co\n0.623863 0.623908 0.425663 Co\n0.234586 0.232730 0.654024 Co\n0.012889 0.002323 0.799802 Co\n0.623904 0.623431 0.525706 Co\n0.624799 0.621098 0.625847 Co\n0.235874 0.248718 0.851371 Co\n0.625584 0.619601 0.725804 Co\n0.633437 0.607225 0.826578 Co\n0.630835 0.136728 0.921312 Co\n0.631603 0.627444 0.921003 Co\n0.027045 0.014034 0.992390 Sn\n0.125145 0.626194 0.125819 Sn\n0.620026 0.132006 0.125370 Sn\n0.123843 0.624117 0.325613 Sn\n0.623918 0.124321 0.325559 Sn\n0.124214 0.623265 0.525789 Sn\n0.623705 0.123537 0.525851 Sn\n0.126215 0.619621 0.725403 Sn\n0.625480 0.118129 0.726058 Sn\n0.135707 0.630897 0.920752 Sn\n0.374333 0.383890 0.077844 O\n0.370816 0.849099 0.078829 O\n0.373800 0.378587 0.172273 O\n0.837650 0.382866 0.078124 O\n0.377214 0.378542 0.277748 O\n0.409330 0.875113 0.170952 O\n0.874801 0.880495 0.076221 O\n0.870774 0.413152 0.171041 O\n0.377019 0.842279 0.277784 O\n0.376806 0.376670 0.371483 O\n0.840543 0.379232 0.277714 O\n0.870026 0.876759 0.171484 O\n0.407790 0.871895 0.371685 O\n0.377457 0.377588 0.477874 O\n0.873786 0.874719 0.278284 O\n0.872427 0.407411 0.371707 O\n0.377212 0.841781 0.477855 O\n0.377054 0.376115 0.571578 O\n0.841426 0.377751 0.477888 O\n0.873896 0.873659 0.371932 O\n0.407748 0.870889 0.571923 O\n0.379544 0.372548 0.677943 O\n0.873039 0.406055 0.571830 O\n0.872799 0.872831 0.478935 O\n0.378004 0.839184 0.677892 O\n0.381379 0.375227 0.770452 O\n0.842478 0.373114 0.678044 O\n0.873813 0.872356 0.572201 O\n0.410422 0.863769 0.773119 O\n0.372002 0.378178 0.878038 O\n0.877544 0.398807 0.771910 O\n0.873644 0.868628 0.679010 O\n0.377201 0.853561 0.877310 O\n0.365130 0.390799 0.970703 O\n0.848731 0.379330 0.878222 O\n0.876140 0.865684 0.772538 O\n0.411329 0.864819 0.973035 O\n0.870749 0.863994 0.880748 O\n0.867465 0.403437 0.974048 O\n0.872206 0.865065 0.974088 O\n",
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}