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{
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{
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{
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"structure_string": "Zr4 Si4 Os4\n1.0\n4.080406 0.000000 0.000000\n0.000000 6.439958 0.000000\n0.000000 0.000000 7.507221\nZr Si Os\n4 4 4\ndirect\n0.250000 0.014650 0.815769 Zr\n0.250000 0.514650 0.684231 Zr\n0.750000 0.985350 0.184231 Zr\n0.750000 0.485350 0.315769 Zr\n0.250000 0.787597 0.378435 Si\n0.250000 0.287597 0.121565 Si\n0.750000 0.212403 0.621565 Si\n0.750000 0.712403 0.878435 Si\n0.250000 0.162679 0.441450 Os\n0.250000 0.662679 0.058550 Os\n0.750000 0.837321 0.558550 Os\n0.750000 0.337321 0.941450 Os\n",
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{
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"structure_string": "Sr1 C2\n1.0\n3.546657 -2.173720 0.000000\n3.546657 2.173720 0.000000\n2.214400 0.000000 3.521401\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.291260 0.291260 0.291260 C\n0.708740 0.708740 0.708740 C\n",
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{
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"structure_string": "Sm6 F18\n1.0\n3.517557 -6.092588 0.000000\n3.517557 6.092588 0.000000\n0.000000 0.000000 6.989481\nSm F\n6 18\ndirect\n0.667796 0.667796 0.250000 Sm\n0.000000 0.667796 0.750000 Sm\n0.667796 0.000000 0.750000 Sm\n0.332204 0.000000 0.250000 Sm\n0.000000 0.332204 0.250000 Sm\n0.332204 0.332204 0.750000 Sm\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.333333 0.666667 0.250000 F\n0.666667 0.333333 0.750000 F\n0.666667 0.333333 0.250000 F\n0.333333 0.666667 0.750000 F\n0.344234 0.000000 0.917104 F\n0.344234 0.344234 0.417104 F\n0.000000 0.655766 0.417104 F\n0.000000 0.344234 0.917104 F\n0.655766 0.655766 0.917104 F\n0.344234 0.000000 0.582896 F\n0.655766 0.655766 0.582896 F\n0.655766 0.000000 0.417104 F\n0.000000 0.344234 0.582896 F\n0.000000 0.655766 0.082896 F\n0.655766 0.000000 0.082896 F\n0.344234 0.344234 0.082896 F\n",
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{
"id": "mp-983555",
"created_at": "2022-09-04T14:39:45.094447Z",
"structure_string": "Er2 Pd1 Au1\n1.0\n0.000000 3.528252 3.528252\n3.528252 0.000000 3.528252\n3.528252 3.528252 0.000000\nEr Pd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n",
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{
"id": "mp-1197946",
"created_at": "2022-09-04T14:39:44.966457Z",
"structure_string": "Zn2 H12 S8 O32\n1.0\n5.135299 0.000000 0.000000\n0.000000 15.507206 0.000000\n-1.834550 0.000000 8.394066\nZn H S O\n2 12 8 32\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.302917 0.980623 0.628237 H\n0.697083 0.480623 0.871763 H\n0.697083 0.019377 0.371763 H\n0.302917 0.519377 0.128237 H\n0.412206 0.737259 0.836522 H\n0.587794 0.237259 0.663478 H\n0.587794 0.262741 0.163478 H\n0.412206 0.762741 0.336522 H\n0.811381 0.739475 0.691952 H\n0.188619 0.239475 0.808048 H\n0.188619 0.260525 0.308048 H\n0.811381 0.760525 0.191952 H\n0.432571 0.087940 0.782231 S\n0.567429 0.587940 0.717769 S\n0.567429 0.912060 0.217769 S\n0.432571 0.412060 0.282231 S\n0.123587 0.837443 0.755275 S\n0.876413 0.337443 0.744725 S\n0.876413 0.162557 0.244725 S\n0.123587 0.662557 0.255275 S\n0.399308 0.181324 0.745813 O\n0.600692 0.681324 0.754187 O\n0.600692 0.818676 0.254187 O\n0.399308 0.318676 0.245813 O\n0.286746 0.062196 0.903315 O\n0.713254 0.562196 0.596685 O\n0.713254 0.937804 0.096685 O\n0.286746 0.437804 0.403315 O\n0.714437 0.063266 0.822960 O\n0.285563 0.563266 0.677040 O\n0.285563 0.936734 0.177040 O\n0.714437 0.436734 0.322960 O\n0.303879 0.045769 0.618646 O\n0.696121 0.545769 0.881354 O\n0.696121 0.954231 0.381354 O\n0.303879 0.454231 0.118646 O\n0.972240 0.892438 0.840097 O\n0.027760 0.392438 0.659903 O\n0.027760 0.107562 0.159903 O\n0.972240 0.607562 0.340097 O\n0.287686 0.878379 0.659407 O\n0.712314 0.378379 0.840593 O\n0.712314 0.121621 0.340593 O\n0.287686 0.621621 0.159407 O\n0.293822 0.778754 0.883990 O\n0.706178 0.278754 0.616010 O\n0.706178 0.221246 0.116010 O\n0.293822 0.721246 0.383990 O\n0.933999 0.777065 0.640488 O\n0.066001 0.277065 0.859512 O\n0.066001 0.222935 0.359512 O\n0.933999 0.722935 0.140488 O\n",
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{
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"structure_string": "Mn4 Sb4 O16\n1.0\n5.661781 0.215052 -0.000696\n2.670419 5.002037 5.644439\n-1.176406 -7.386478 2.814729\nMn Sb O\n4 4 16\ndirect\n0.516957 0.501655 0.991805 Mn\n0.730167 0.749027 0.507600 Mn\n0.981267 0.996947 0.006690 Mn\n0.270213 0.251247 0.495077 Mn\n0.431315 0.188566 0.120459 Sb\n0.697794 0.435093 0.622144 Sb\n0.943496 0.686943 0.129766 Sb\n0.177736 0.939203 0.627401 Sb\n0.189124 0.146435 0.237620 O\n0.446642 0.383055 0.723660 O\n0.683467 0.628235 0.212835 O\n0.930031 0.892672 0.726218 O\n0.699035 0.225228 0.025712 O\n0.930052 0.501712 0.524030 O\n0.175603 0.750174 0.025282 O\n0.442966 0.973523 0.525455 O\n0.250870 0.056864 0.900152 O\n0.517587 0.302220 0.394438 O\n0.771183 0.548304 0.892404 O\n0.001219 0.800982 0.396474 O\n0.251924 0.451302 0.101221 O\n0.480707 0.694928 0.607703 O\n0.729012 0.945780 0.108047 O\n0.001634 0.199903 0.597806 O\n",
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{
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"structure_string": "Mg10 H20 C8 O36\n1.0\n9.204065 0.000000 0.000000\n0.000000 8.409835 0.000000\n0.000000 4.209265 9.241275\nMg H C O\n10 20 8 36\ndirect\n0.569562 0.140558 0.344646 Mg\n0.069562 0.359442 0.655354 Mg\n0.430438 0.859442 0.655354 Mg\n0.930438 0.640558 0.344646 Mg\n0.931034 0.008353 0.345475 Mg\n0.431034 0.491647 0.654525 Mg\n0.068966 0.991647 0.654525 Mg\n0.568966 0.508353 0.345475 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.377684 0.380901 0.233665 H\n0.877684 0.119099 0.766335 H\n0.622316 0.619099 0.766335 H\n0.122316 0.880901 0.233665 H\n0.126188 0.208583 0.147500 H\n0.626188 0.291417 0.852500 H\n0.873812 0.791417 0.852500 H\n0.373812 0.708583 0.147500 H\n0.196610 0.140413 0.301509 H\n0.696610 0.359587 0.698491 H\n0.803390 0.859587 0.698491 H\n0.303390 0.640413 0.301509 H\n0.404030 0.130073 0.137003 H\n0.904030 0.369927 0.862997 H\n0.595970 0.869927 0.862997 H\n0.095970 0.630073 0.137003 H\n0.415725 0.923495 0.246188 H\n0.915725 0.576505 0.753812 H\n0.584275 0.076505 0.753812 H\n0.084275 0.423495 0.246188 H\n0.766509 0.227788 0.079822 C\n0.266509 0.272212 0.920178 C\n0.233491 0.772212 0.920178 C\n0.733491 0.727788 0.079822 C\n0.832724 0.262532 0.473881 C\n0.332724 0.237468 0.526119 C\n0.167276 0.737468 0.526119 C\n0.667276 0.762532 0.473881 C\n0.483498 0.384122 0.225832 O\n0.983498 0.115878 0.774168 O\n0.516502 0.615878 0.774168 O\n0.016502 0.884122 0.225832 O\n0.112100 0.205919 0.246410 O\n0.612100 0.294081 0.753590 O\n0.887900 0.794081 0.753590 O\n0.387900 0.705919 0.246410 O\n0.423609 0.043299 0.239907 O\n0.923609 0.456701 0.760093 O\n0.576391 0.956701 0.760093 O\n0.076391 0.543299 0.239907 O\n0.668434 0.335818 0.005176 O\n0.168434 0.164182 0.994824 O\n0.331566 0.664182 0.994824 O\n0.831566 0.835818 0.005176 O\n0.877237 0.199654 0.014449 O\n0.377237 0.300346 0.985551 O\n0.122763 0.800346 0.985551 O\n0.622763 0.699654 0.014449 O\n0.756957 0.146537 0.220987 O\n0.256957 0.353463 0.779013 O\n0.243043 0.853463 0.779013 O\n0.743043 0.646537 0.220987 O\n0.699319 0.282965 0.431242 O\n0.199319 0.217035 0.568758 O\n0.300681 0.717035 0.568758 O\n0.800681 0.782965 0.431242 O\n0.900950 0.118155 0.495251 O\n0.400950 0.381845 0.504749 O\n0.099050 0.881845 0.504749 O\n0.599050 0.618155 0.495251 O\n0.897887 0.385125 0.497598 O\n0.397887 0.114875 0.502402 O\n0.102113 0.614875 0.502402 O\n0.602113 0.885125 0.497598 O\n",
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"formula_full": "Mg10 H20 C8 O36",
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{
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"elements": [
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"Se",
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],
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"density": 8.728808541985662,
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"formula_full": "Tm2 Se1 O2",
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{
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"structure_string": "K1 Na1 Ti4 Bi2 O12\n1.0\n3.889611 -4.256557 0.000000\n3.889611 4.256557 0.000000\n0.000000 0.000000 7.774023\nK Na Ti Bi O\n1 1 4 2 12\ndirect\n0.984926 0.015074 0.500000 K\n0.467449 0.532551 0.000000 Na\n0.977577 0.522433 0.752587 Ti\n0.477567 0.022423 0.752587 Ti\n0.977577 0.522433 0.247413 Ti\n0.477567 0.022423 0.247413 Ti\n0.930928 0.069072 0.000000 Bi\n0.427995 0.572005 0.500000 Bi\n0.275844 0.724156 0.743480 O\n0.772095 0.227905 0.762768 O\n0.275844 0.724156 0.256520 O\n0.772095 0.227905 0.237232 O\n0.022038 0.467375 0.000000 O\n0.532625 0.977962 0.000000 O\n0.033291 0.490265 0.500000 O\n0.509735 0.966709 0.500000 O\n0.770746 0.727323 0.755171 O\n0.272677 0.229254 0.755171 O\n0.770746 0.727323 0.244829 O\n0.272677 0.229254 0.244829 O\n",
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"formula_full": "K1 Na1 Ti4 Bi2 O12",
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}