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{
"count": 1013513,
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"results": [
{
"id": "oqmd-1558153",
"created_at": "2022-09-04T15:55:42.808425Z",
"updated_at": "2022-09-04T15:55:42.808451Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.798393 -1.943270 0.000000\n7.798393 1.943270 0.000000\n-1.761071 0.000000 9.685535\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.944648 0.944648 0.244973 Ho\n0.055352 0.055352 0.755027 Ho\n0.088260 0.088260 0.305328 N\n0.911740 0.911740 0.694672 N\n0.186991 0.186991 0.162824 Nd\n0.813009 0.813009 0.837176 Nd\n0.458706 0.458706 0.363916 O\n0.541294 0.541294 0.636084 O\n0.369477 0.369477 0.043580 S\n0.630523 0.630523 0.956420 S\n0.783186 0.783186 0.354028 Se\n0.216814 0.216814 0.645972 Se\n0.605477 0.605477 0.441528 Tb\n0.394523 0.394523 0.558472 Tb\n",
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},
{
"id": "oqmd-1558425",
"created_at": "2022-09-04T15:55:42.822962Z",
"updated_at": "2022-09-04T15:55:42.822990Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.608152 -1.946404 0.000000\n7.608152 1.946404 0.000000\n-1.412671 0.000000 9.601575\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952922 0.952922 0.242208 Dy\n0.047078 0.047078 0.757792 Dy\n0.200962 0.200962 0.178804 Gd\n0.799038 0.799038 0.821196 Gd\n0.098283 0.098283 0.314655 N\n0.901717 0.901717 0.685345 N\n0.462374 0.462374 0.361185 O\n0.537626 0.537626 0.638815 O\n0.787557 0.787557 0.349107 S\n0.212443 0.212443 0.650893 S\n0.372433 0.372433 0.026830 Se\n0.627567 0.627567 0.973170 Se\n0.611843 0.611843 0.447933 Tb\n0.388157 0.388157 0.552067 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.2373648391659735,
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"volume_molar": 12.232282715313687,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557334",
"created_at": "2022-09-04T15:55:48.269201Z",
"updated_at": "2022-09-04T15:55:48.269220Z",
"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.735545 -1.928651 0.000000\n7.735545 1.928651 0.000000\n-1.549896 0.000000 9.496838\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.947925 0.947925 0.237155 Dy\n0.052075 0.052075 0.762845 Dy\n0.191637 0.191637 0.164831 Gd\n0.808363 0.808363 0.835169 Gd\n0.092248 0.092248 0.302798 N\n0.907752 0.907752 0.697202 N\n0.459978 0.459978 0.360621 O\n0.540022 0.540022 0.639379 O\n0.367893 0.367893 0.033268 S\n0.632107 0.632107 0.966732 S\n0.784681 0.784681 0.350850 Se\n0.215319 0.215319 0.649150 Se\n0.607075 0.607075 0.441077 Y\n0.392925 0.392925 0.558923 Y\n",
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"density": 6.442299789515384,
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"volume": 283.3698165865279,
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"formula_full": "Gd2 Dy2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557330",
"created_at": "2022-09-04T15:55:47.538887Z",
"updated_at": "2022-09-04T15:55:47.538904Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.716070 -1.918956 0.000000\n7.716070 1.918956 0.000000\n-1.534458 0.000000 9.460432\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.051421 0.051421 0.264494 Ho\n0.948579 0.948579 0.735506 Ho\n0.907394 0.907394 0.200079 N\n0.092606 0.092606 0.799921 N\n0.539474 0.539474 0.140670 O\n0.460526 0.460526 0.859330 O\n0.633596 0.633596 0.466755 S\n0.366404 0.366404 0.533245 S\n0.214934 0.214934 0.151797 Se\n0.785066 0.785066 0.848203 Se\n0.392575 0.392575 0.059406 Tb\n0.607425 0.607425 0.940594 Tb\n0.807688 0.807688 0.335745 Y\n0.192312 0.192312 0.664255 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.564839567495618,
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"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557302",
"created_at": "2022-09-04T15:55:48.057471Z",
"updated_at": "2022-09-04T15:55:48.057489Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.580950 -1.937854 0.000000\n7.580950 1.937854 0.000000\n-1.363772 0.000000 9.520686\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.798762 0.798762 0.319278 Dy\n0.201238 0.201238 0.680722 Dy\n0.901149 0.901149 0.185048 N\n0.098851 0.098851 0.814952 N\n0.538025 0.538025 0.139475 O\n0.461975 0.461975 0.860525 O\n0.213166 0.213166 0.151585 S\n0.786834 0.786834 0.848415 S\n0.628929 0.628929 0.477250 Se\n0.371071 0.371071 0.522750 Se\n0.046997 0.046997 0.260587 Tb\n0.953003 0.953003 0.739413 Tb\n0.388038 0.388038 0.051956 Y\n0.611962 0.611962 0.948044 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.545958337738262,
"density_atomic": 0.050047813883547836,
"volume": 279.73249805826595,
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"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557321",
"created_at": "2022-09-04T15:55:48.252527Z",
"updated_at": "2022-09-04T15:55:48.252552Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.594580 -1.945506 0.000000\n7.594580 1.945506 0.000000\n-1.507307 0.000000 9.589560\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.199074 0.199074 0.179368 Gd\n0.800926 0.800926 0.820632 Gd\n0.097078 0.097078 0.313928 N\n0.902922 0.902922 0.686072 N\n0.461147 0.461147 0.362200 O\n0.538853 0.538853 0.637800 O\n0.785897 0.785897 0.350294 S\n0.214103 0.214103 0.649706 S\n0.371492 0.371492 0.028054 Se\n0.628508 0.628508 0.971946 Se\n0.611341 0.611341 0.447446 Tb\n0.388659 0.388659 0.552554 Tb\n0.950505 0.950505 0.242816 Y\n0.049495 0.049495 0.757184 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.400236748571762,
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557313",
"created_at": "2022-09-04T15:55:48.203845Z",
"updated_at": "2022-09-04T15:55:48.203872Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.632988 -1.963156 0.000000\n7.632988 1.963156 0.000000\n-1.586892 0.000000 9.723175\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610097 0.610097 0.448326 Dy\n0.389903 0.389903 0.551674 Dy\n0.095261 0.095261 0.318651 N\n0.904739 0.904739 0.681349 N\n0.198122 0.198122 0.178723 Nd\n0.801878 0.801878 0.821277 Nd\n0.460684 0.460684 0.365037 O\n0.539316 0.539316 0.634963 O\n0.786582 0.786582 0.356207 S\n0.213418 0.213418 0.643793 S\n0.374780 0.374780 0.033863 Se\n0.625220 0.625220 0.966137 Se\n0.949247 0.949247 0.248272 Y\n0.050753 0.050753 0.751728 Y\n",
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},
{
"id": "oqmd-1557348",
"created_at": "2022-09-04T15:55:48.325253Z",
"updated_at": "2022-09-04T15:55:48.325277Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.726914 -1.922976 0.000000\n7.726914 1.922976 0.000000\n-1.569656 0.000000 9.486074\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.607883 0.607883 0.440407 Gd\n0.392117 0.392117 0.559593 Gd\n0.947915 0.947915 0.236198 Ho\n0.052085 0.052085 0.763802 Ho\n0.091901 0.091901 0.298886 N\n0.908099 0.908099 0.701114 N\n0.459941 0.459941 0.359199 O\n0.540059 0.540059 0.640801 O\n0.366060 0.366060 0.033895 S\n0.633940 0.633940 0.966105 S\n0.784446 0.784446 0.347432 Se\n0.215554 0.215554 0.652568 Se\n0.191595 0.191595 0.163343 Y\n0.808405 0.808405 0.836657 Y\n",
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},
{
"id": "oqmd-1557591",
"created_at": "2022-09-04T15:55:48.994287Z",
"updated_at": "2022-09-04T15:55:48.994307Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.689865 -1.914255 0.000000\n7.689865 1.914255 0.000000\n-1.528325 0.000000 9.429820\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.394173 0.394173 0.059310 Er\n0.605827 0.605827 0.940690 Er\n0.052331 0.052331 0.262939 Ho\n0.947669 0.947669 0.737061 Ho\n0.907785 0.907785 0.195827 N\n0.092215 0.092215 0.804173 N\n0.539934 0.539934 0.138291 O\n0.460066 0.460066 0.861709 O\n0.632465 0.632465 0.466914 S\n0.367535 0.367535 0.533086 S\n0.215188 0.215188 0.147452 Se\n0.784812 0.784812 0.852548 Se\n0.808032 0.808032 0.333671 Tb\n0.191968 0.191968 0.666329 Tb\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557662",
"created_at": "2022-09-04T15:55:39.431466Z",
"updated_at": "2022-09-04T15:55:39.431489Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.770730 -1.944302 0.000000\n7.770730 1.944302 0.000000\n-1.639535 0.000000 9.622599\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.395778 0.395778 0.058141 Er\n0.604222 0.604222 0.941859 Er\n0.909521 0.909521 0.190095 N\n0.090479 0.090479 0.809905 N\n0.809921 0.809921 0.333940 Nd\n0.190079 0.190079 0.666060 Nd\n0.540053 0.540053 0.134515 O\n0.459947 0.459947 0.865485 O\n0.629112 0.629112 0.460623 S\n0.370888 0.370888 0.539377 S\n0.215430 0.215430 0.142384 Se\n0.784570 0.784570 0.857616 Se\n0.053913 0.053913 0.257124 Y\n0.946087 0.946087 0.742876 Y\n",
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"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557395",
"created_at": "2022-09-04T15:55:47.817531Z",
"updated_at": "2022-09-04T15:55:47.817547Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.750973 -1.922768 0.000000\n7.750973 1.922768 0.000000\n-1.504606 0.000000 9.429891\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.193027 0.193027 0.165323 Er\n0.806973 0.806973 0.834677 Er\n0.608063 0.608063 0.440710 Gd\n0.391937 0.391937 0.559290 Gd\n0.093684 0.093684 0.297601 N\n0.906316 0.906316 0.702399 N\n0.461242 0.461242 0.357757 O\n0.538758 0.538758 0.642243 O\n0.364135 0.364135 0.028949 S\n0.635865 0.635865 0.971051 S\n0.784858 0.784858 0.346376 Se\n0.215142 0.215142 0.653624 Se\n0.949007 0.949007 0.231265 Y\n0.050993 0.050993 0.768735 Y\n",
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"elements": [
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],
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557511",
"created_at": "2022-09-04T15:55:49.105984Z",
"updated_at": "2022-09-04T15:55:49.106007Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.781491 -1.937233 0.000000\n7.781491 1.937233 0.000000\n-1.732953 0.000000 9.653516\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.945865 0.945865 0.243994 Er\n0.054135 0.054135 0.756006 Er\n0.089313 0.089313 0.304815 N\n0.910687 0.910687 0.695185 N\n0.188244 0.188244 0.162018 Nd\n0.811756 0.811756 0.837982 Nd\n0.459609 0.459609 0.363025 O\n0.540391 0.540391 0.636975 O\n0.371292 0.371292 0.043311 S\n0.628708 0.628708 0.956689 S\n0.784598 0.784598 0.353733 Se\n0.215402 0.215402 0.646267 Se\n0.606250 0.606250 0.442139 Tb\n0.393750 0.393750 0.557861 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
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"spacegroup": 12
}
]
}