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{
"id": "oqmd-1558492",
"created_at": "2022-09-04T15:55:42.252643Z",
"updated_at": "2022-09-04T15:55:42.252669Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.578399 -1.941411 0.000000\n7.578399 1.941411 0.000000\n-1.262543 0.000000 9.512387\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.797352 0.797352 0.316969 Dy\n0.202648 0.202648 0.683031 Dy\n0.045828 0.045828 0.261789 Gd\n0.954172 0.954172 0.738211 Gd\n0.388941 0.388941 0.051728 Ho\n0.611059 0.611059 0.948272 Ho\n0.900113 0.900113 0.182192 N\n0.099887 0.099887 0.817808 N\n0.536699 0.536699 0.138165 O\n0.463301 0.463301 0.861835 O\n0.212746 0.212746 0.149521 S\n0.787254 0.787254 0.850479 S\n0.629147 0.629147 0.479671 Se\n0.370853 0.370853 0.520329 Se\n",
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{
"id": "oqmd-1558180",
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"updated_at": "2022-09-04T15:55:42.286828Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.868192 -1.951209 0.000000\n7.868192 1.951209 0.000000\n-1.561001 0.000000 9.617008\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.807894 0.807894 0.337645 Dy\n0.192106 0.192106 0.662355 Dy\n0.050352 0.050352 0.269077 Gd\n0.949648 0.949648 0.730923 Gd\n0.906036 0.906036 0.205397 N\n0.093964 0.093964 0.794603 N\n0.389784 0.389784 0.058183 Nd\n0.610216 0.610216 0.941817 Nd\n0.538662 0.538662 0.144945 O\n0.461338 0.461338 0.855055 O\n0.635634 0.635634 0.470506 S\n0.364366 0.364366 0.529494 S\n0.215245 0.215245 0.159152 Se\n0.784755 0.784755 0.840848 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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{
"id": "oqmd-1558495",
"created_at": "2022-09-04T15:55:42.291616Z",
"updated_at": "2022-09-04T15:55:42.291637Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.742080 -1.927563 0.000000\n7.742080 1.927563 0.000000\n-1.507185 0.000000 9.488497\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948189 0.948189 0.237515 Dy\n0.051811 0.051811 0.762485 Dy\n0.192099 0.192099 0.166183 Gd\n0.807901 0.807901 0.833817 Gd\n0.606051 0.606051 0.440987 Ho\n0.393949 0.393949 0.559013 Ho\n0.092643 0.092643 0.304872 N\n0.907357 0.907357 0.695128 N\n0.460615 0.460615 0.361832 O\n0.539385 0.539385 0.638168 O\n0.367984 0.367984 0.033072 S\n0.632016 0.632016 0.966928 S\n0.784803 0.784803 0.352271 Se\n0.215197 0.215197 0.647729 Se\n",
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"density": 7.337692677022125,
"density_atomic": 0.049434981894598266,
"volume": 283.2002655498044,
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558029",
"created_at": "2022-09-04T15:55:42.312821Z",
"updated_at": "2022-09-04T15:55:42.312841Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.830928 -1.966890 0.000000\n7.830928 1.966890 0.000000\n-1.232771 0.000000 9.564223\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.197689 0.197689 0.170632 Gd\n0.802311 0.802311 0.829368 Gd\n0.098218 0.098218 0.309605 N\n0.901782 0.901782 0.690395 N\n0.952893 0.952893 0.227207 Nd\n0.047107 0.047107 0.772793 Nd\n0.463941 0.463941 0.360426 O\n0.536059 0.536059 0.639574 O\n0.366562 0.366562 0.019947 S\n0.633438 0.633438 0.980053 S\n0.786750 0.786750 0.350653 Se\n0.213250 0.213250 0.649347 Se\n0.607307 0.607307 0.443821 Tb\n0.392693 0.392693 0.556179 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
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{
"id": "oqmd-1558028",
"created_at": "2022-09-04T15:55:42.297881Z",
"updated_at": "2022-09-04T15:55:42.297909Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.819807 -1.964951 0.000000\n7.819807 1.964951 0.000000\n-1.197934 0.000000 9.539036\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.606902 0.606902 0.443859 Dy\n0.393098 0.393098 0.556141 Dy\n0.197681 0.197681 0.171022 Gd\n0.802319 0.802319 0.828978 Gd\n0.098403 0.098403 0.311486 N\n0.901597 0.901597 0.688514 N\n0.953129 0.953129 0.227609 Nd\n0.046871 0.046871 0.772391 Nd\n0.464189 0.464189 0.361197 O\n0.535811 0.535811 0.638803 O\n0.367165 0.367165 0.019638 S\n0.632835 0.632835 0.980362 S\n0.786652 0.786652 0.350638 Se\n0.213348 0.213348 0.649362 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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{
"id": "oqmd-1558122",
"created_at": "2022-09-04T15:55:42.372094Z",
"updated_at": "2022-09-04T15:55:42.372118Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.807200 -1.953878 0.000000\n7.807200 1.953878 0.000000\n-1.579526 0.000000 9.653801\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.053405 0.053405 0.258892 Gd\n0.946595 0.946595 0.741108 Gd\n0.395477 0.395477 0.057767 Ho\n0.604523 0.604523 0.942233 Ho\n0.908914 0.908914 0.189713 N\n0.091086 0.091086 0.810287 N\n0.809024 0.809024 0.332972 Nd\n0.190976 0.190976 0.667028 Nd\n0.539590 0.539590 0.135083 O\n0.460410 0.460410 0.864917 O\n0.630640 0.630640 0.462886 S\n0.369360 0.369360 0.537114 S\n0.215363 0.215363 0.142885 Se\n0.784637 0.784637 0.857115 Se\n",
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},
{
"id": "oqmd-1558070",
"created_at": "2022-09-04T15:55:42.454330Z",
"updated_at": "2022-09-04T15:55:42.454346Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.822496 -1.951388 0.000000\n7.822496 1.951388 0.000000\n-1.739343 0.000000 9.711447\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.945114 0.945114 0.243613 Dy\n0.054886 0.054886 0.756387 Dy\n0.606057 0.606057 0.441856 Gd\n0.393943 0.393943 0.558144 Gd\n0.089033 0.089033 0.304784 N\n0.910967 0.910967 0.695216 N\n0.187767 0.187767 0.162815 Nd\n0.812233 0.812233 0.837185 Nd\n0.459081 0.459081 0.363125 O\n0.540919 0.540919 0.636875 O\n0.369136 0.369136 0.042235 S\n0.630864 0.630864 0.957765 S\n0.783336 0.783336 0.353181 Se\n0.216664 0.216664 0.646819 Se\n",
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},
{
"id": "oqmd-1558221",
"created_at": "2022-09-04T15:55:42.466619Z",
"updated_at": "2022-09-04T15:55:42.466632Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.850044 -1.942095 0.000000\n7.850044 1.942095 0.000000\n-1.576348 0.000000 9.588891\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808521 0.808521 0.338487 Ho\n0.191479 0.191479 0.661513 Ho\n0.906414 0.906414 0.206963 N\n0.093586 0.093586 0.793037 N\n0.389635 0.389635 0.058611 Nd\n0.610365 0.610365 0.941389 Nd\n0.538913 0.538913 0.145394 O\n0.461087 0.461087 0.854606 O\n0.635460 0.635460 0.469954 S\n0.364540 0.364540 0.530046 S\n0.215455 0.215455 0.160659 Se\n0.784545 0.784545 0.839341 Se\n0.050415 0.050415 0.268826 Tb\n0.949585 0.949585 0.731174 Tb\n",
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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},
{
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"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790971 -1.941772 0.000000\n7.790971 1.941772 0.000000\n-1.692155 0.000000 9.645323\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.945172 0.945172 0.243835 Dy\n0.054828 0.054828 0.756165 Dy\n0.604370 0.604370 0.441685 Ho\n0.395630 0.395630 0.558315 Ho\n0.089155 0.089155 0.308257 N\n0.910845 0.910845 0.691743 N\n0.188633 0.188633 0.165410 Nd\n0.811367 0.811367 0.834590 Nd\n0.459291 0.459291 0.364960 O\n0.540709 0.540709 0.635040 O\n0.369089 0.369089 0.041276 S\n0.630911 0.630911 0.958724 S\n0.784107 0.784107 0.357171 Se\n0.215893 0.215893 0.642829 Se\n",
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},
{
"id": "oqmd-1558125",
"created_at": "2022-09-04T15:55:42.652378Z",
"updated_at": "2022-09-04T15:55:42.652407Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.590383 -1.967429 0.000000\n7.590383 1.967429 0.000000\n-0.625937 0.000000 9.480360\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.786882 0.786882 0.314771 Ho\n0.213118 0.213118 0.685229 Ho\n0.889895 0.889895 0.174068 N\n0.110105 0.110105 0.825932 N\n0.031286 0.031286 0.276412 Nd\n0.968714 0.968714 0.723588 Nd\n0.529652 0.529652 0.144344 O\n0.470348 0.470348 0.855656 O\n0.206578 0.206578 0.157714 S\n0.793422 0.793422 0.842286 S\n0.374882 0.374882 0.499501 Se\n0.625118 0.625118 0.500499 Se\n0.385640 0.385640 0.045913 Tb\n0.614360 0.614360 0.954087 Tb\n",
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558409",
"created_at": "2022-09-04T15:55:42.710869Z",
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"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.572678 -1.936041 0.000000\n7.572678 1.936041 0.000000\n-1.420413 0.000000 9.567565\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.611584 0.611584 0.447956 Dy\n0.388416 0.388416 0.552044 Dy\n0.200511 0.200511 0.179131 Gd\n0.799489 0.799489 0.820869 Gd\n0.952712 0.952712 0.244039 Ho\n0.047288 0.047288 0.755961 Ho\n0.097847 0.097847 0.315538 N\n0.902153 0.902153 0.684462 N\n0.462171 0.462171 0.361807 O\n0.537829 0.537829 0.638193 O\n0.787616 0.787616 0.350407 S\n0.212384 0.212384 0.649593 S\n0.373028 0.373028 0.027951 Se\n0.626972 0.626972 0.972049 Se\n",
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"elements": [
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558413",
"created_at": "2022-09-04T15:55:42.752961Z",
"updated_at": "2022-09-04T15:55:42.752989Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.746816 -1.932089 0.000000\n7.746816 1.932089 0.000000\n-1.476755 0.000000 9.495274\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.192678 0.192678 0.166905 Gd\n0.807322 0.807322 0.833095 Gd\n0.605804 0.605804 0.440769 Ho\n0.394196 0.394196 0.559231 Ho\n0.092866 0.092866 0.305060 N\n0.907134 0.907134 0.694940 N\n0.460736 0.460736 0.362016 O\n0.539264 0.539264 0.637984 O\n0.367166 0.367166 0.031734 S\n0.632834 0.632834 0.968266 S\n0.784778 0.784778 0.352797 Se\n0.215222 0.215222 0.647203 Se\n0.948117 0.948117 0.236280 Tb\n0.051883 0.051883 0.763720 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
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}
]
}