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{
"id": "oqmd-1557135",
"created_at": "2022-09-04T15:55:48.608836Z",
"updated_at": "2022-09-04T15:55:48.608863Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.740690 -1.932307 0.000000\n7.740690 1.932307 0.000000\n-1.549421 0.000000 9.504775\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.191769 0.191769 0.164876 Gd\n0.808231 0.808231 0.835124 Gd\n0.092481 0.092481 0.302166 N\n0.907519 0.907519 0.697834 N\n0.460448 0.460448 0.360861 O\n0.539552 0.539552 0.639139 O\n0.367760 0.367760 0.033043 S\n0.632240 0.632240 0.966957 S\n0.784765 0.784765 0.349913 Se\n0.215235 0.215235 0.650087 Se\n0.606826 0.606826 0.441078 Tb\n0.393174 0.393174 0.558922 Tb\n0.947861 0.947861 0.236073 Y\n0.052139 0.052139 0.763927 Y\n",
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{
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"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.564812 -1.960369 0.000000\n7.564812 1.960369 0.000000\n-0.511487 0.000000 9.429800\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.214514 0.214514 0.187382 Dy\n0.785486 0.785486 0.812618 Dy\n0.612725 0.612725 0.454047 Er\n0.387275 0.387275 0.545953 Er\n0.110185 0.110185 0.330463 N\n0.889815 0.889815 0.669537 N\n0.970075 0.970075 0.223831 Nd\n0.029925 0.029925 0.776169 Nd\n0.470845 0.470845 0.357393 O\n0.529155 0.529155 0.642607 O\n0.794208 0.794208 0.345966 S\n0.205792 0.205792 0.654034 S\n0.623481 0.623481 0.002784 Se\n0.376519 0.376519 0.997216 Se\n",
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"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557657",
"created_at": "2022-09-04T15:55:39.792859Z",
"updated_at": "2022-09-04T15:55:39.792883Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.670208 -1.908504 0.000000\n7.670208 1.908504 0.000000\n-1.516851 0.000000 9.397668\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.192093 0.192093 0.166576 Dy\n0.807907 0.807907 0.833424 Dy\n0.605962 0.605962 0.440365 Er\n0.394038 0.394038 0.559635 Er\n0.947741 0.947741 0.236047 Ho\n0.052259 0.052259 0.763953 Ho\n0.092398 0.092398 0.303254 N\n0.907602 0.907602 0.696746 N\n0.460026 0.460026 0.361218 O\n0.539974 0.539974 0.638782 O\n0.366886 0.366886 0.032009 S\n0.633114 0.633114 0.967991 S\n0.784721 0.784721 0.351659 Se\n0.215279 0.215279 0.648341 Se\n",
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557730",
"created_at": "2022-09-04T15:55:40.416245Z",
"updated_at": "2022-09-04T15:55:40.416258Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.707982 -1.922120 0.000000\n7.707982 1.922120 0.000000\n-1.401618 0.000000 9.404483\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.606301 0.606301 0.440879 Er\n0.393699 0.393699 0.559121 Er\n0.948996 0.948996 0.232352 Gd\n0.051004 0.051004 0.767648 Gd\n0.194473 0.194473 0.168689 Ho\n0.805527 0.805527 0.831311 Ho\n0.094712 0.094712 0.305057 N\n0.905288 0.905288 0.694943 N\n0.461471 0.461471 0.361752 O\n0.538529 0.538529 0.638248 O\n0.364538 0.364538 0.027387 S\n0.635462 0.635462 0.972613 S\n0.784829 0.784829 0.351875 Se\n0.215171 0.215171 0.648125 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557947",
"created_at": "2022-09-04T15:55:40.798021Z",
"updated_at": "2022-09-04T15:55:40.798047Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.572057 -1.931603 0.000000\n7.572057 1.931603 0.000000\n-1.509618 0.000000 9.551532\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199149 0.199149 0.178844 Dy\n0.800851 0.800851 0.821156 Dy\n0.950549 0.950549 0.242824 Ho\n0.049451 0.049451 0.757176 Ho\n0.096762 0.096762 0.311364 N\n0.903238 0.903238 0.688636 N\n0.460915 0.460915 0.361453 O\n0.539085 0.539085 0.638547 O\n0.785957 0.785957 0.349135 S\n0.214043 0.214043 0.650865 S\n0.369903 0.369903 0.028344 Se\n0.630097 0.630097 0.971656 Se\n0.611949 0.611949 0.446705 Tb\n0.388051 0.388051 0.553295 Tb\n",
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"elements": [
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557727",
"created_at": "2022-09-04T15:55:41.117992Z",
"updated_at": "2022-09-04T15:55:41.118021Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.779006 -1.949896 0.000000\n7.779006 1.949896 0.000000\n-1.156544 0.000000 9.453431\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198330 0.198330 0.172959 Dy\n0.801670 0.801670 0.827041 Dy\n0.605758 0.605758 0.442035 Er\n0.394242 0.394242 0.557965 Er\n0.097900 0.097900 0.311090 N\n0.902100 0.902100 0.688910 N\n0.952004 0.952004 0.226105 Nd\n0.047996 0.047996 0.773895 Nd\n0.463407 0.463407 0.362135 O\n0.536593 0.536593 0.637865 O\n0.364590 0.364590 0.017887 S\n0.635410 0.635410 0.982113 S\n0.785964 0.785964 0.353071 Se\n0.214036 0.214036 0.646929 Se\n",
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},
{
"id": "oqmd-1557633",
"created_at": "2022-09-04T15:55:49.987548Z",
"updated_at": "2022-09-04T15:55:49.987566Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.537424 -1.957980 0.000000\n7.537424 1.957980 0.000000\n-0.408923 0.000000 9.399516\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.783583 0.783583 0.313238 Er\n0.216417 0.216417 0.686762 Er\n0.385817 0.385817 0.044803 Ho\n0.614183 0.614183 0.955197 Ho\n0.887229 0.887229 0.169633 N\n0.112771 0.112771 0.830367 N\n0.026334 0.026334 0.278821 Nd\n0.973666 0.973666 0.721179 Nd\n0.527614 0.527614 0.144578 O\n0.472386 0.472386 0.855422 O\n0.205120 0.205120 0.158744 S\n0.794880 0.794880 0.841256 S\n0.376709 0.376709 0.493215 Se\n0.623291 0.623291 0.506785 Se\n",
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{
"id": "oqmd-1557241",
"created_at": "2022-09-04T15:55:47.914998Z",
"updated_at": "2022-09-04T15:55:47.915029Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.721372 -1.923324 0.000000\n7.721372 1.923324 0.000000\n-1.512038 0.000000 9.464826\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.948384 0.948384 0.234831 Dy\n0.051616 0.051616 0.765169 Dy\n0.092780 0.092780 0.300670 N\n0.907220 0.907220 0.699330 N\n0.460517 0.460517 0.359694 O\n0.539483 0.539483 0.640306 O\n0.365944 0.365944 0.031950 S\n0.634056 0.634056 0.968050 S\n0.784861 0.784861 0.348734 Se\n0.215139 0.215139 0.651266 Se\n0.607302 0.607302 0.440562 Tb\n0.392698 0.392698 0.559438 Tb\n0.192621 0.192621 0.165062 Y\n0.807379 0.807379 0.834938 Y\n",
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},
{
"id": "oqmd-1557585",
"created_at": "2022-09-04T15:55:47.765702Z",
"updated_at": "2022-09-04T15:55:47.765728Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.677264 -1.911534 0.000000\n7.677264 1.911534 0.000000\n-1.447024 0.000000 9.373701\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948912 0.948912 0.234287 Dy\n0.051088 0.051088 0.765713 Dy\n0.606288 0.606288 0.440579 Er\n0.393712 0.393712 0.559421 Er\n0.193670 0.193670 0.167426 Ho\n0.806330 0.806330 0.832574 Ho\n0.093814 0.093814 0.303472 N\n0.906186 0.906186 0.696528 N\n0.461195 0.461195 0.361206 O\n0.538805 0.538805 0.638794 O\n0.365368 0.365368 0.030027 S\n0.634632 0.634632 0.969973 S\n0.785085 0.785085 0.351635 Se\n0.214915 0.214915 0.648365 Se\n",
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{
"id": "oqmd-1557599",
"created_at": "2022-09-04T15:55:47.863897Z",
"updated_at": "2022-09-04T15:55:47.863921Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.574276 -1.940903 0.000000\n7.574276 1.940903 0.000000\n-1.265907 0.000000 9.507167\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202911 0.202911 0.181645 Er\n0.797089 0.797089 0.818355 Er\n0.954427 0.954427 0.235799 Gd\n0.045573 0.045573 0.764201 Gd\n0.100820 0.100820 0.313997 N\n0.899180 0.899180 0.686003 N\n0.463195 0.463195 0.359778 O\n0.536805 0.536805 0.640222 O\n0.787279 0.787279 0.346769 S\n0.212721 0.212721 0.653231 S\n0.369115 0.369115 0.019371 Se\n0.630885 0.630885 0.980629 Se\n0.612510 0.612510 0.447997 Tb\n0.387490 0.387490 0.552003 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557242",
"created_at": "2022-09-04T15:55:47.959485Z",
"updated_at": "2022-09-04T15:55:47.959509Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.828197 -1.940878 0.000000\n7.828197 1.940878 0.000000\n-1.580570 0.000000 9.567176\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.807934 0.807934 0.339087 Ho\n0.192066 0.192066 0.660913 Ho\n0.906520 0.906520 0.208297 N\n0.093480 0.093480 0.791703 N\n0.389850 0.389850 0.058860 Nd\n0.610150 0.610150 0.941140 Nd\n0.539273 0.539273 0.145662 O\n0.460727 0.460727 0.854338 O\n0.635345 0.635345 0.469033 S\n0.364655 0.364655 0.530967 S\n0.215068 0.215068 0.160618 Se\n0.784932 0.784932 0.839382 Se\n0.050623 0.050623 0.269690 Y\n0.949377 0.949377 0.730310 Y\n",
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"density": 6.158602160540287,
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"volume_molar": 12.505371830452601,
"formula_full": "Nd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
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},
{
"id": "oqmd-1557286",
"created_at": "2022-09-04T15:55:48.015441Z",
"updated_at": "2022-09-04T15:55:48.015459Z",
"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",
"nsites": 14,
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"elements": [
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"density": 6.578194016114584,
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"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
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}
]
}