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{
"id": "oqmd-1558152",
"created_at": "2022-09-04T15:55:42.516008Z",
"updated_at": "2022-09-04T15:55:42.516029Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.785353 -1.940170 0.000000\n7.785353 1.940170 0.000000\n-1.739790 0.000000 9.665209\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.604912 0.604912 0.441530 Dy\n0.395088 0.395088 0.558470 Dy\n0.944689 0.944689 0.244993 Ho\n0.055311 0.055311 0.755007 Ho\n0.088372 0.088372 0.306695 N\n0.911628 0.911628 0.693305 N\n0.187349 0.187349 0.163831 Nd\n0.812651 0.812651 0.836169 Nd\n0.458788 0.458788 0.364410 O\n0.541212 0.541212 0.635590 O\n0.369578 0.369578 0.042975 S\n0.630422 0.630422 0.957025 S\n0.783387 0.783387 0.355347 Se\n0.216613 0.216613 0.644653 Se\n",
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{
"id": "oqmd-1557286",
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"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.575234 -1.931616 0.000000\n7.575234 1.931616 0.000000\n-1.520485 0.000000 9.553725\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.950348 0.950348 0.244263 Ho\n0.049652 0.049652 0.755737 Ho\n0.096637 0.096637 0.312736 N\n0.903363 0.903363 0.687264 N\n0.460286 0.460286 0.361471 O\n0.539714 0.539714 0.638529 O\n0.785701 0.785701 0.350636 S\n0.214299 0.214299 0.649364 S\n0.371002 0.371002 0.028894 Se\n0.628998 0.628998 0.971106 Se\n0.198696 0.198696 0.178820 Tb\n0.801304 0.801304 0.821180 Tb\n0.611871 0.611871 0.446845 Y\n0.388129 0.388129 0.553155 Y\n",
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},
{
"id": "oqmd-1557319",
"created_at": "2022-09-04T15:55:48.110661Z",
"updated_at": "2022-09-04T15:55:48.110675Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.545510 -1.932323 0.000000\n7.545510 1.932323 0.000000\n-1.397479 0.000000 9.515412\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.951269 0.951269 0.242363 Dy\n0.048731 0.048731 0.757637 Dy\n0.610923 0.610923 0.447044 Ho\n0.389077 0.389077 0.552956 Ho\n0.097211 0.097211 0.315282 N\n0.902789 0.902789 0.684718 N\n0.461413 0.461413 0.362792 O\n0.538587 0.538587 0.637208 O\n0.786218 0.786218 0.350895 S\n0.213782 0.213782 0.649105 S\n0.370675 0.370675 0.026229 Se\n0.629325 0.629325 0.973771 Se\n0.200247 0.200247 0.180629 Y\n0.799753 0.799753 0.819371 Y\n",
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"formula_full": "Dy2 Y2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557310",
"created_at": "2022-09-04T15:55:48.180189Z",
"updated_at": "2022-09-04T15:55:48.180223Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.579818 -1.935874 0.000000\n7.579818 1.935874 0.000000\n-1.496604 0.000000 9.569324\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.387348 0.387348 0.052794 Gd\n0.612652 0.612652 0.947206 Gd\n0.048961 0.048961 0.257254 Ho\n0.951039 0.951039 0.742746 Ho\n0.902932 0.902932 0.189086 N\n0.097068 0.097068 0.810914 N\n0.538837 0.538837 0.139705 O\n0.461163 0.461163 0.860295 O\n0.214049 0.214049 0.152812 S\n0.785951 0.785951 0.847188 S\n0.629408 0.629408 0.471136 Se\n0.370592 0.370592 0.528864 Se\n0.801196 0.801196 0.322549 Y\n0.198804 0.198804 0.677451 Y\n",
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"elements": [
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{
"id": "oqmd-1557504",
"created_at": "2022-09-04T15:55:48.312211Z",
"updated_at": "2022-09-04T15:55:48.312231Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.700512 -1.915251 0.000000\n7.700512 1.915251 0.000000\n-1.456100 0.000000 9.379484\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.806358 0.806358 0.332845 Er\n0.193642 0.193642 0.667155 Er\n0.393435 0.393435 0.059714 Ho\n0.606565 0.606565 0.940286 Ho\n0.905991 0.905991 0.198372 N\n0.094009 0.094009 0.801628 N\n0.538850 0.538850 0.139313 O\n0.461150 0.461150 0.860687 O\n0.635400 0.635400 0.471049 S\n0.364600 0.364600 0.528951 S\n0.215175 0.215175 0.150370 Se\n0.784825 0.784825 0.849630 Se\n0.051130 0.051130 0.267202 Y\n0.948870 0.948870 0.732798 Y\n",
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"elements": [
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"density_atomic": 0.050602712040638646,
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"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
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{
"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-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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},
{
"id": "oqmd-1557338",
"created_at": "2022-09-04T15:55:48.312438Z",
"updated_at": "2022-09-04T15:55:48.312462Z",
"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.735940 -1.926342 0.000000\n7.735940 1.926342 0.000000\n-1.524952 0.000000 9.484960\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051465 0.051465 0.265481 Dy\n0.948535 0.948535 0.734519 Dy\n0.392098 0.392098 0.059316 Gd\n0.607902 0.607902 0.940684 Gd\n0.907223 0.907223 0.200701 N\n0.092777 0.092777 0.799299 N\n0.539453 0.539453 0.141120 O\n0.460547 0.460547 0.858880 O\n0.634219 0.634219 0.467748 S\n0.365781 0.365781 0.532252 S\n0.215101 0.215101 0.152576 Se\n0.784899 0.784899 0.847424 Se\n0.807445 0.807445 0.335755 Y\n0.192555 0.192555 0.664245 Y\n",
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},
{
"id": "oqmd-1558151",
"created_at": "2022-09-04T15:55:42.525651Z",
"updated_at": "2022-09-04T15:55:42.525682Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.647497 -1.961858 0.000000\n7.647497 1.961858 0.000000\n-1.617246 0.000000 9.768085\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050681 0.050681 0.249925 Dy\n0.949319 0.949319 0.750075 Dy\n0.905149 0.905149 0.182109 N\n0.094851 0.094851 0.817891 N\n0.803281 0.803281 0.322951 Nd\n0.196719 0.196719 0.677049 Nd\n0.539341 0.539341 0.135007 O\n0.460659 0.460659 0.864993 O\n0.213844 0.213844 0.146365 S\n0.786156 0.786156 0.853635 S\n0.625365 0.625365 0.464105 Se\n0.374635 0.374635 0.535895 Se\n0.389219 0.389219 0.051642 Tb\n0.610781 0.610781 0.948358 Tb\n",
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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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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557536",
"created_at": "2022-09-04T15:55:48.432185Z",
"updated_at": "2022-09-04T15:55:48.432201Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.684558 -1.910392 0.000000\n7.684558 1.910392 0.000000\n-1.451995 0.000000 9.367687\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.051027 0.051027 0.266581 Dy\n0.948973 0.948973 0.733419 Dy\n0.806472 0.806472 0.333027 Er\n0.193528 0.193528 0.666973 Er\n0.393063 0.393063 0.059415 Ho\n0.606937 0.606937 0.940585 Ho\n0.906139 0.906139 0.198313 N\n0.093861 0.093861 0.801687 N\n0.538896 0.538896 0.139753 O\n0.461104 0.461104 0.860247 O\n0.635369 0.635369 0.470773 S\n0.364631 0.364631 0.529227 S\n0.215121 0.215121 0.150192 Se\n0.784879 0.784879 0.849808 Se\n",
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
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},
{
"id": "oqmd-1557592",
"created_at": "2022-09-04T15:55:48.523128Z",
"updated_at": "2022-09-04T15:55:48.523157Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.734810 -1.920391 0.000000\n7.734810 1.920391 0.000000\n-1.600731 0.000000 9.502446\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.052279 0.052279 0.262936 Er\n0.947721 0.947721 0.737064 Er\n0.392109 0.392109 0.059450 Gd\n0.607891 0.607891 0.940550 Gd\n0.908308 0.908308 0.201654 N\n0.091692 0.091692 0.798346 N\n0.540361 0.540361 0.140897 O\n0.459639 0.459639 0.859103 O\n0.632458 0.632458 0.464419 S\n0.367542 0.367542 0.535581 S\n0.215366 0.215366 0.152713 Se\n0.784634 0.784634 0.847287 Se\n0.809222 0.809222 0.337650 Tb\n0.190778 0.190778 0.662350 Tb\n",
"nsites": 14,
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"elements": [
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}
]
}