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{
"id": "mp-1247859",
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"structure_string": "Ag5 Au3 S4\n1.0\n4.557605 -0.843664 0.075099\n-0.841998 4.737048 0.114810\n0.020932 -0.010592 13.624704\nAg Au S\n5 3 4\ndirect\n0.921406 0.309610 0.243237 Ag\n0.296991 0.036381 0.739985 Ag\n0.475942 0.893201 0.396142 Ag\n0.655418 0.270948 0.014319 Ag\n0.862458 0.477080 0.449965 Ag\n0.771150 0.773879 0.139234 Au\n0.741125 0.796598 0.620360 Au\n0.769596 0.788846 0.879853 Au\n0.069504 0.051570 0.006249 S\n0.028229 0.032360 0.480490 S\n0.479925 0.494392 0.273435 S\n0.428256 0.575135 0.756731 S\n",
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{
"id": "mp-1221235",
"created_at": "2022-09-04T14:41:30.276838Z",
"structure_string": "Na3 Si34\n1.0\n9.034035 -5.206795 0.000000\n9.034035 5.206795 0.000000\n6.033081 0.000000 8.504495\nNa Si\n3 34\ndirect\n0.375027 0.375027 0.375027 Na\n0.624973 0.624973 0.624973 Na\n0.000000 0.000000 0.000000 Na\n0.217634 0.217634 0.217634 Si\n0.846981 0.217908 0.217908 Si\n0.217908 0.217908 0.846981 Si\n0.217908 0.846981 0.217908 Si\n0.782366 0.782366 0.782366 Si\n0.153019 0.782092 0.782092 Si\n0.782092 0.782092 0.153019 Si\n0.782092 0.153019 0.782092 Si\n0.125422 0.125422 0.125422 Si\n0.874578 0.874578 0.874578 Si\n0.370744 0.994363 0.370744 Si\n0.763258 0.371015 0.994806 Si\n0.994806 0.371015 0.763258 Si\n0.371182 0.763451 0.371182 Si\n0.371015 0.994806 0.763258 Si\n0.994363 0.370744 0.370744 Si\n0.763451 0.371182 0.371182 Si\n0.371015 0.763258 0.994806 Si\n0.763258 0.994806 0.371015 Si\n0.371182 0.371182 0.763451 Si\n0.370744 0.370744 0.994363 Si\n0.994806 0.763258 0.371015 Si\n0.629256 0.005637 0.629256 Si\n0.236742 0.628985 0.005194 Si\n0.005194 0.628985 0.236742 Si\n0.628818 0.236549 0.628818 Si\n0.628985 0.005194 0.236742 Si\n0.005637 0.629256 0.629256 Si\n0.236549 0.628818 0.628818 Si\n0.628985 0.236742 0.005194 Si\n0.236742 0.005194 0.628985 Si\n0.628818 0.628818 0.236549 Si\n0.629256 0.629256 0.005637 Si\n0.005194 0.236742 0.628985 Si\n",
"nsites": 37,
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"elements": [
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"formula_full": "Na3 Si34",
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"spacegroup": 166
},
{
"id": "mp-998434",
"created_at": "2022-09-04T14:41:30.304524Z",
"structure_string": "Rb8 Tl8 F24\n1.0\n6.644351 0.000000 0.000000\n0.000000 9.293565 0.000000\n0.000000 0.000000 13.383602\nRb Tl F\n8 8 24\ndirect\n0.244528 0.000000 0.882070 Rb\n0.744528 0.000000 0.617930 Rb\n0.755472 0.000000 0.117930 Rb\n0.255472 0.000000 0.382070 Rb\n0.222135 0.500000 0.869458 Rb\n0.722135 0.500000 0.630542 Rb\n0.777865 0.500000 0.130542 Rb\n0.277865 0.500000 0.369458 Rb\n0.742868 0.250181 0.874592 Tl\n0.242868 0.749819 0.625408 Tl\n0.257132 0.250181 0.125408 Tl\n0.757132 0.749819 0.374592 Tl\n0.257132 0.749819 0.125408 Tl\n0.757132 0.250181 0.374592 Tl\n0.742868 0.749819 0.874592 Tl\n0.242868 0.250181 0.625408 Tl\n0.755177 0.000000 0.832891 F\n0.255177 0.000000 0.667109 F\n0.244823 0.000000 0.167109 F\n0.744823 0.000000 0.332891 F\n0.754448 0.500000 0.916324 F\n0.254448 0.500000 0.583676 F\n0.245552 0.500000 0.083676 F\n0.745552 0.500000 0.416324 F\n0.977386 0.298924 0.742020 F\n0.477386 0.701076 0.757980 F\n0.022614 0.298924 0.257980 F\n0.522614 0.701076 0.242020 F\n0.022614 0.701076 0.257980 F\n0.522614 0.298924 0.242020 F\n0.977386 0.701076 0.742020 F\n0.477386 0.298924 0.757980 F\n0.000000 0.194209 0.500000 F\n0.500000 0.805791 0.000000 F\n0.000000 0.805791 0.500000 F\n0.500000 0.194209 0.000000 F\n0.000000 0.210447 0.000000 F\n0.500000 0.789553 0.500000 F\n0.000000 0.789553 0.000000 F\n0.500000 0.210447 0.500000 F\n",
"nsites": 40,
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"elements": [
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],
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"density": 5.575300007304756,
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"formula_full": "Rb8 Tl8 F24",
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},
{
"id": "mp-862729",
"created_at": "2022-09-04T14:41:27.126418Z",
"structure_string": "Sr4 Dy8 Se16\n1.0\n4.156414 0.000000 0.000000\n0.000000 12.583416 0.000000\n0.000000 0.000000 15.026810\nSr Dy Se\n4 8 16\ndirect\n0.250000 0.758733 0.664366 Sr\n0.750000 0.741267 0.164366 Sr\n0.250000 0.258733 0.835634 Sr\n0.750000 0.241267 0.335634 Sr\n0.250000 0.433426 0.609579 Dy\n0.750000 0.066574 0.109579 Dy\n0.250000 0.933426 0.890421 Dy\n0.750000 0.566574 0.390421 Dy\n0.250000 0.419924 0.099127 Dy\n0.750000 0.080076 0.599127 Dy\n0.250000 0.919924 0.400873 Dy\n0.750000 0.580076 0.900873 Dy\n0.250000 0.411828 0.421059 Se\n0.750000 0.088172 0.921059 Se\n0.250000 0.911828 0.078941 Se\n0.750000 0.588172 0.578941 Se\n0.250000 0.024092 0.716316 Se\n0.750000 0.475908 0.216316 Se\n0.250000 0.524092 0.783684 Se\n0.750000 0.975908 0.283684 Se\n0.250000 0.132158 0.472401 Se\n0.750000 0.367842 0.972401 Se\n0.250000 0.632158 0.027599 Se\n0.750000 0.867842 0.527599 Se\n0.250000 0.207383 0.173701 Se\n0.750000 0.292617 0.673701 Se\n0.250000 0.707383 0.326299 Se\n0.750000 0.792617 0.826299 Se\n",
"nsites": 28,
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"elements": [
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"Dy",
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],
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"formula_full": "Sr4 Dy8 Se16",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:29.449000Z",
"spacegroup": 62
},
{
"id": "mp-1277232",
"created_at": "2022-09-04T14:41:27.156006Z",
"structure_string": "Li6 Cr2 Co4 O12\n1.0\n0.013144 -1.497140 2.548891\n-6.944480 -8.104714 -5.187765\n5.974784 -2.771095 0.016905\nLi Cr Co O\n6 2 4 12\ndirect\n0.335704 0.417617 0.329429 Li\n0.332330 0.918200 0.332217 Li\n0.994980 0.249578 0.994822 Li\n0.008181 0.751110 0.995867 Li\n0.657132 0.083921 0.668054 Li\n0.659314 0.583853 0.676278 Li\n0.320826 0.168343 0.339168 Cr\n0.338545 0.667234 0.328260 Cr\n0.993944 0.000203 0.000549 Co\n0.671097 0.334000 0.671093 Co\n0.668387 0.833738 0.661613 Co\n0.999152 0.500805 0.995502 Co\n0.466927 0.120044 0.013008 O\n0.460667 0.619149 0.006900 O\n0.165677 0.213574 0.661352 O\n0.187959 0.714088 0.654003 O\n0.828758 0.288035 0.348997 O\n0.849192 0.783727 0.335437 O\n0.811239 0.051853 0.329018 O\n0.832251 0.547841 0.311101 O\n0.163988 0.456025 0.683365 O\n0.154771 0.950383 0.669928 O\n0.539096 0.381045 0.986280 O\n0.514994 0.883291 0.992690 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
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"density": 4.357082464600062,
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"formula_full": "Li6 Cr2 Co4 O12",
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},
{
"id": "mp-1033518",
"created_at": "2022-09-04T14:41:27.156963Z",
"structure_string": "Cs1 Mg6 Sb1 O8\n1.0\n9.113845 0.000000 0.000000\n0.000000 4.786040 0.000000\n0.000000 0.000000 4.786040\nCs Mg Sb O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Cs\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.274972 -0.000000 0.500000 Mg\n0.725028 0.000000 0.500000 Mg\n0.274972 0.500000 -0.000000 Mg\n0.725028 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Sb\n0.290780 0.000000 0.000000 O\n0.709220 -0.000000 -0.000000 O\n0.266046 0.500000 0.500000 O\n0.733954 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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"formula_full": "Cs1 Mg6 Sb1 O8",
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},
{
"id": "mp-1199736",
"created_at": "2022-09-04T14:41:27.163439Z",
"structure_string": "Y22 Cd90\n1.0\n0.000000 10.892435 10.892435\n10.892435 0.000000 10.892435\n10.892435 10.892435 0.000000\nY Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Y\n0.013587 0.333165 0.639661 Y\n0.013587 0.013587 0.639661 Y\n0.333165 0.013587 0.639661 Y\n0.013587 0.639661 0.333165 Y\n0.333165 0.639661 0.013587 Y\n0.013587 0.639661 0.013587 Y\n0.639661 0.013587 0.013587 Y\n0.639661 0.333165 0.013587 Y\n0.639661 0.013587 0.333165 Y\n0.333165 0.013587 0.013587 Y\n0.013587 0.013587 0.333165 Y\n0.013587 0.333165 0.013587 Y\n0.250000 0.250000 0.250000 Y\n0.406655 0.406655 0.780036 Y\n0.406655 0.780036 0.406655 Y\n0.780036 0.406655 0.406655 Y\n0.406655 0.406655 0.406655 Y\n0.662004 0.662004 0.013988 Y\n0.662004 0.013988 0.662004 Y\n0.013988 0.662004 0.662004 Y\n0.662004 0.662004 0.662004 Y\n0.083466 0.083466 0.749602 Cd\n0.083466 0.749602 0.083466 Cd\n0.749602 0.083466 0.083466 Cd\n0.083466 0.083466 0.083466 Cd\n0.913392 0.913392 0.259825 Cd\n0.913392 0.259825 0.913392 Cd\n0.259825 0.913392 0.913392 Cd\n0.913392 0.913392 0.913392 Cd\n0.156263 0.156263 0.843737 Cd\n0.843737 0.156263 0.843737 Cd\n0.156263 0.843737 0.843737 Cd\n0.843737 0.843737 0.156263 Cd\n0.156263 0.843737 0.156263 Cd\n0.843737 0.156263 0.156263 Cd\n0.390921 0.200309 0.017849 Cd\n0.390921 0.390921 0.017849 Cd\n0.200309 0.390921 0.017849 Cd\n0.390921 0.017849 0.200309 Cd\n0.200309 0.017849 0.390921 Cd\n0.390921 0.017849 0.390921 Cd\n0.017849 0.390921 0.390921 Cd\n0.017849 0.200309 0.390921 Cd\n0.017849 0.390921 0.200309 Cd\n0.200309 0.390921 0.390921 Cd\n0.390921 0.390921 0.200309 Cd\n0.390921 0.200309 0.390921 Cd\n0.163206 0.163206 0.510382 Cd\n0.163206 0.510382 0.163206 Cd\n0.510382 0.163206 0.163206 Cd\n0.163206 0.163206 0.163206 Cd\n0.263313 0.610976 0.862398 Cd\n0.263313 0.263313 0.862398 Cd\n0.610976 0.263313 0.862398 Cd\n0.263313 0.862398 0.610976 Cd\n0.610976 0.862398 0.263313 Cd\n0.263313 0.862398 0.263313 Cd\n0.862398 0.263313 0.263313 Cd\n0.862398 0.610976 0.263313 Cd\n0.862398 0.263313 0.610976 Cd\n0.610976 0.263313 0.263313 Cd\n0.263313 0.263313 0.610976 Cd\n0.263313 0.610976 0.263313 Cd\n0.500000 0.500000 0.500000 Cd\n0.640713 0.449385 0.269189 Cd\n0.640713 0.640713 0.269189 Cd\n0.449385 0.640713 0.269189 Cd\n0.640713 0.269189 0.449385 Cd\n0.449385 0.269189 0.640713 Cd\n0.640713 0.269189 0.640713 Cd\n0.269189 0.640713 0.640713 Cd\n0.269189 0.449385 0.640713 Cd\n0.269189 0.640713 0.449385 Cd\n0.449385 0.640713 0.640713 Cd\n0.640713 0.640713 0.449385 Cd\n0.640713 0.449385 0.640713 Cd\n0.512590 0.833481 0.141338 Cd\n0.512590 0.512590 0.141338 Cd\n0.833481 0.512590 0.141338 Cd\n0.512590 0.141338 0.833481 Cd\n0.833481 0.141338 0.512590 Cd\n0.512590 0.141338 0.512590 Cd\n0.141338 0.512590 0.512590 Cd\n0.141338 0.833481 0.512590 Cd\n0.141338 0.512590 0.833481 Cd\n0.833481 0.512590 0.512590 Cd\n0.512590 0.512590 0.833481 Cd\n0.512590 0.833481 0.512590 Cd\n0.750000 0.750000 0.750000 Cd\n0.830211 0.830211 0.509368 Cd\n0.830211 0.509368 0.830211 Cd\n0.509368 0.830211 0.830211 Cd\n0.830211 0.830211 0.830211 Cd\n0.912124 0.912124 0.587876 Cd\n0.587876 0.912124 0.587876 Cd\n0.912124 0.587876 0.587876 Cd\n0.587876 0.587876 0.912124 Cd\n0.912124 0.587876 0.912124 Cd\n0.587876 0.912124 0.912124 Cd\n0.764082 0.067463 0.404374 Cd\n0.764082 0.764082 0.404374 Cd\n0.067463 0.764082 0.404374 Cd\n0.764082 0.404374 0.067463 Cd\n0.067463 0.404374 0.764082 Cd\n0.764082 0.404374 0.764082 Cd\n0.404374 0.764082 0.764082 Cd\n0.404374 0.067463 0.764082 Cd\n0.404374 0.764082 0.067463 Cd\n0.067463 0.764082 0.764082 Cd\n0.764082 0.764082 0.067463 Cd\n0.764082 0.067463 0.764082 Cd\n",
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{
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}