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{
"id": "oqmd-1589181",
"created_at": "2022-09-04T15:57:16.632510Z",
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{
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{
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"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.799566 0.000000 0.000000\n3.397657 6.664137 0.000000\n2.417515 -0.121953 8.075008\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.092723 0.159937 0.630589 Cs\n0.561130 0.553550 0.347493 Ge\n0.346000 0.280402 0.087962 K\n0.663303 0.722222 0.887520 K\n0.320412 0.502490 0.485964 O\n0.650626 0.520289 0.545315 O\n0.907416 0.825457 0.382382 Rb\n0.437474 0.860862 0.268089 S\n0.562848 0.155417 0.716390 S\n0.194196 0.680886 0.860804 Se\n0.433160 0.460191 0.651936 Si\n0.830711 0.278295 0.135557 Te\n",
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{
"id": "oqmd-1589180",
"created_at": "2022-09-04T15:57:16.818932Z",
"updated_at": "2022-09-04T15:57:16.818950Z",
"structure_string": "Er1 Lu1 Ti1 V1 Os1 Ru1 W1 N1 O1\n1.0\n3.265938 0.000000 0.000000\n-1.632969 2.828385 0.000000\n0.000000 0.000000 16.332414\nEr Lu N O Os Ru Ti V W\n1 1 1 1 1 1 1 1 1\ndirect\n0.000000 0.000000 0.528386 Er\n0.000000 0.000000 0.710129 Lu\n0.333333 0.666667 0.629878 N\n0.666667 0.333333 0.467268 O\n0.333333 0.666667 0.316166 Os\n0.666667 0.333333 0.848752 Ru\n0.000000 0.000000 0.945012 Ti\n0.333333 0.666667 0.083811 V\n0.666667 0.333333 0.220598 W\n",
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{
"id": "oqmd-1589184",
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"updated_at": "2022-09-04T15:57:16.275192Z",
"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.843683 0.000000 0.000000\n3.386173 6.685005 0.000000\n2.802889 0.283224 7.966449\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.733873 0.177666 0.359723 Cs\n0.890459 0.543357 0.662374 Ge\n0.609716 0.720498 0.108539 K\n0.395520 0.268002 0.897523 K\n0.832095 0.499535 0.473075 O\n0.184315 0.487626 0.511597 O\n0.243543 0.855478 0.640227 Rb\n0.282692 0.148231 0.280982 S\n0.710055 0.855739 0.722868 S\n0.894374 0.298846 0.871670 Se\n0.106722 0.446297 0.353910 Si\n0.116631 0.698724 0.117512 Te\n",
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{
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"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.843524 0.000000 0.000000\n3.386072 6.685053 0.000000\n2.802943 0.283216 7.966509\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.733872 0.177665 0.359723 Cs\n0.890466 0.543350 0.662373 Ge\n0.609706 0.720501 0.108539 K\n0.395525 0.268001 0.897518 K\n0.832102 0.499531 0.473077 O\n0.184316 0.487620 0.511589 O\n0.243551 0.855478 0.640232 Rb\n0.282684 0.148234 0.280990 S\n0.710054 0.855757 0.722870 S\n0.894378 0.298844 0.871678 Se\n0.106722 0.446300 0.353904 Si\n0.116623 0.698720 0.117509 Te\n",
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{
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"created_at": "2022-09-04T15:57:16.100004Z",
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"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.823101 0.000000 0.000000\n3.403821 6.651381 0.000000\n2.673190 -0.245481 8.030892\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.092280 0.178966 0.626348 Cs\n0.439960 0.447609 0.655062 Ge\n0.334950 0.268104 0.111276 K\n0.663374 0.713804 0.905839 K\n0.337877 0.491251 0.464835 O\n0.675916 0.504105 0.508940 O\n0.905767 0.849675 0.358527 Rb\n0.441877 0.843574 0.278393 S\n0.575112 0.134571 0.722284 S\n0.798576 0.312657 0.137966 Se\n0.561579 0.541903 0.348148 Si\n0.172732 0.713781 0.882382 Te\n",
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{
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"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n7.992119 4.614252 2.365697\n-7.992119 4.614252 2.365697\n0.000000 -9.228504 2.365697\nAl B F Fe H Na O Si\n6 3 1 3 3 1 30 6\ndirect\n0.650568 0.426376 0.092212 Al\n0.426376 0.650568 0.092212 Al\n0.650568 0.092212 0.426376 Al\n0.092212 0.650568 0.426376 Al\n0.426376 0.092212 0.650568 Al\n0.092212 0.426376 0.650568 Al\n0.773007 0.443770 0.443770 B\n0.443770 0.773007 0.443770 B\n0.443770 0.443770 0.773007 B\n0.189779 0.189779 0.189779 F\n0.441888 0.441888 0.253453 Fe\n0.441888 0.253453 0.441888 Fe\n0.253453 0.441888 0.441888 Fe\n0.765288 0.765288 0.365285 H\n0.765288 0.365285 0.765288 H\n0.365285 0.765288 0.765288 H\n0.783197 0.783197 0.783197 Na\n0.412279 0.232350 0.025981 O\n0.232350 0.412279 0.025981 O\n0.832124 0.832124 0.112231 O\n0.919163 0.630422 0.202550 O\n0.630422 0.919163 0.202550 O\n0.632167 0.632167 0.220230 O\n0.412279 0.025981 0.232350 O\n0.025981 0.412279 0.232350 O\n0.830973 0.499651 0.350221 O\n0.499651 0.830973 0.350221 O\n0.232350 0.025981 0.412279 O\n0.025981 0.232350 0.412279 O\n0.658731 0.476439 0.476439 O\n0.476439 0.658731 0.476439 O\n0.830973 0.350221 0.499651 O\n0.350221 0.830973 0.499651 O\n0.919163 0.202550 0.630422 O\n0.202550 0.919163 0.630422 O\n0.632167 0.220230 0.632167 O\n0.220230 0.632167 0.632167 O\n0.476439 0.476439 0.658731 O\n0.994631 0.994631 0.715354 O\n0.499651 0.350221 0.830973 O\n0.350221 0.499651 0.830973 O\n0.832124 0.112231 0.832124 O\n0.112231 0.832124 0.832124 O\n0.630422 0.202550 0.919163 O\n0.202550 0.630422 0.919163 O\n0.715354 0.994631 0.994631 O\n0.994631 0.715354 0.994631 O\n0.999284 0.805087 0.187505 Si\n0.805087 0.999284 0.187505 Si\n0.999284 0.187505 0.805087 Si\n0.187505 0.999284 0.805087 Si\n0.805087 0.187505 0.999284 Si\n0.187505 0.805087 0.999284 Si\n",
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{
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"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.706814 -1.911863 0.000000\n7.706814 1.911863 0.000000\n-1.556692 0.000000 9.421802\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948135 0.948135 0.235070 Er\n0.051865 0.051865 0.764930 Er\n0.191644 0.191644 0.164067 Ho\n0.808356 0.808356 0.835933 Ho\n0.092266 0.092266 0.298316 N\n0.907734 0.907734 0.701684 N\n0.460242 0.460242 0.358674 O\n0.539758 0.539758 0.641326 O\n0.366087 0.366087 0.032864 S\n0.633913 0.633913 0.967136 S\n0.784776 0.784776 0.347468 Se\n0.215224 0.215224 0.652532 Se\n0.607517 0.607517 0.440317 Tb\n0.392483 0.392483 0.559683 Tb\n",
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{
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"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.574833 -1.930835 0.000000\n7.574833 1.930835 0.000000\n-1.575243 0.000000 9.568819\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.802016 0.802016 0.322759 Dy\n0.197984 0.197984 0.677241 Dy\n0.050497 0.050497 0.256470 Er\n0.949503 0.949503 0.743530 Er\n0.387685 0.387685 0.053597 Gd\n0.612315 0.612315 0.946403 Gd\n0.904380 0.904380 0.191345 N\n0.095620 0.095620 0.808655 N\n0.539880 0.539880 0.139291 O\n0.460120 0.460120 0.860709 O\n0.214467 0.214467 0.151988 S\n0.785533 0.785533 0.848012 S\n0.630121 0.630121 0.469717 Se\n0.369879 0.369879 0.530283 Se\n",
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{
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"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.551106 -1.932117 0.000000\n7.551106 1.932117 0.000000\n-1.442657 0.000000 9.526235\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950075 0.950075 0.243429 Dy\n0.049925 0.049925 0.756571 Dy\n0.610364 0.610364 0.446827 Er\n0.389636 0.389636 0.553173 Er\n0.096682 0.096682 0.316228 N\n0.903318 0.903318 0.683772 N\n0.460988 0.460988 0.363841 O\n0.539012 0.539012 0.636159 O\n0.785667 0.785667 0.353046 S\n0.214333 0.214333 0.646954 S\n0.370961 0.370961 0.027105 Se\n0.629039 0.629039 0.972895 Se\n0.199394 0.199394 0.181225 Tb\n0.800606 0.800606 0.818775 Tb\n",
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{
"id": "oqmd-1558138",
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"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.661233 -1.952438 0.000000\n7.661233 1.952438 0.000000\n-1.518961 0.000000 9.672597\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.199100 0.199100 0.174220 Dy\n0.800900 0.800900 0.825780 Dy\n0.952972 0.952972 0.239678 Ho\n0.047028 0.047028 0.760322 Ho\n0.097980 0.097980 0.305155 N\n0.902020 0.902020 0.694845 N\n0.614844 0.614844 0.448045 Nd\n0.385156 0.385156 0.551955 Nd\n0.462006 0.462006 0.355595 O\n0.537994 0.537994 0.644405 O\n0.787021 0.787021 0.339081 S\n0.212979 0.212979 0.660919 S\n0.370436 0.370436 0.027916 Se\n0.629564 0.629564 0.972084 Se\n",
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}
]
}