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{
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{
"id": "oqmd-1557371",
"created_at": "2022-09-04T15:55:47.746874Z",
"updated_at": "2022-09-04T15:55:47.746898Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.570215 -1.937772 0.000000\n7.570215 1.937772 0.000000\n-1.392833 0.000000 9.514109\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.200558 0.200558 0.180173 Ho\n0.799442 0.799442 0.819827 Ho\n0.098742 0.098742 0.312848 N\n0.901258 0.901258 0.687152 N\n0.462124 0.462124 0.360766 O\n0.537876 0.537876 0.639234 O\n0.786606 0.786606 0.346886 S\n0.213394 0.213394 0.653114 S\n0.370379 0.370379 0.023761 Se\n0.629621 0.629621 0.976239 Se\n0.612014 0.612014 0.447674 Tb\n0.387986 0.387986 0.552326 Tb\n0.952410 0.952410 0.239142 Y\n0.047590 0.047590 0.760858 Y\n",
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{
"id": "oqmd-1557126",
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"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.786220 -1.951724 0.000000\n7.786220 1.951724 0.000000\n-1.659121 0.000000 9.642870\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.394818 0.394818 0.058029 Dy\n0.605182 0.605182 0.941971 Dy\n0.909798 0.909798 0.192336 N\n0.090202 0.090202 0.807664 N\n0.810370 0.810370 0.335643 Nd\n0.189630 0.189630 0.664357 Nd\n0.540450 0.540450 0.135738 O\n0.459550 0.459550 0.864262 O\n0.629487 0.629487 0.459889 S\n0.370513 0.370513 0.540111 S\n0.215866 0.215866 0.144667 Se\n0.784134 0.784134 0.855333 Se\n0.054262 0.054262 0.257603 Y\n0.945738 0.945738 0.742397 Y\n",
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"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557549",
"created_at": "2022-09-04T15:55:47.527235Z",
"updated_at": "2022-09-04T15:55:47.527256Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.571166 -1.933766 0.000000\n7.571166 1.933766 0.000000\n-1.399840 0.000000 9.519953\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.047021 0.047021 0.261726 Dy\n0.952979 0.952979 0.738274 Dy\n0.799122 0.799122 0.321305 Er\n0.200878 0.200878 0.678695 Er\n0.386946 0.386946 0.052379 Gd\n0.613054 0.613054 0.947621 Gd\n0.901009 0.901009 0.189482 N\n0.098991 0.098991 0.810518 N\n0.537616 0.537616 0.140874 O\n0.462384 0.462384 0.859126 O\n0.213453 0.213453 0.155113 S\n0.786547 0.786547 0.844887 S\n0.630211 0.630211 0.476208 Se\n0.369789 0.369789 0.523792 Se\n",
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"density": 7.482297618618857,
"density_atomic": 0.05022229414678296,
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"volume_molar": 11.990971066354113,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557138",
"created_at": "2022-09-04T15:55:47.586947Z",
"updated_at": "2022-09-04T15:55:47.586973Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.601437 -1.965912 0.000000\n7.601437 1.965912 0.000000\n-0.764623 0.000000 9.497400\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.890316 0.890316 0.174322 N\n0.109684 0.109684 0.825678 N\n0.032589 0.032589 0.274793 Nd\n0.967411 0.967411 0.725207 Nd\n0.529908 0.529908 0.143214 O\n0.470092 0.470092 0.856786 O\n0.206300 0.206300 0.155163 S\n0.793700 0.793700 0.844837 S\n0.625298 0.625298 0.497797 Se\n0.374702 0.374702 0.502203 Se\n0.385562 0.385562 0.045711 Tb\n0.614438 0.614438 0.954289 Tb\n0.787220 0.787220 0.315218 Y\n0.212780 0.212780 0.684782 Y\n",
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},
{
"id": "oqmd-1557368",
"created_at": "2022-09-04T15:55:47.707522Z",
"updated_at": "2022-09-04T15:55:47.707542Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.601718 -1.963967 0.000000\n7.601718 1.963967 0.000000\n-0.727204 0.000000 9.473025\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.787042 0.787042 0.314431 Dy\n0.212958 0.212958 0.685569 Dy\n0.889763 0.889763 0.173325 N\n0.110237 0.110237 0.826675 N\n0.031850 0.031850 0.275716 Nd\n0.968150 0.968150 0.724284 Nd\n0.530323 0.530323 0.143797 O\n0.469677 0.469677 0.856203 O\n0.206268 0.206268 0.155148 S\n0.793732 0.793732 0.844852 S\n0.624689 0.624689 0.499778 Se\n0.375311 0.375311 0.500222 Se\n0.385670 0.385670 0.045561 Y\n0.614330 0.614330 0.954439 Y\n",
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"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557376",
"created_at": "2022-09-04T15:55:47.771170Z",
"updated_at": "2022-09-04T15:55:47.771206Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.577720 -1.939641 0.000000\n7.577720 1.939641 0.000000\n-1.432594 0.000000 9.539716\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.799898 0.799898 0.320070 Dy\n0.200102 0.200102 0.679930 Dy\n0.902077 0.902077 0.186836 N\n0.097923 0.097923 0.813164 N\n0.538106 0.538106 0.138729 O\n0.461894 0.461894 0.861271 O\n0.213753 0.213753 0.152253 S\n0.786247 0.786247 0.847747 S\n0.629225 0.629225 0.474754 Se\n0.370775 0.370775 0.525246 Se\n0.388329 0.388329 0.052362 Tb\n0.611671 0.611671 0.947638 Tb\n0.048323 0.048323 0.259834 Y\n0.951677 0.951677 0.740166 Y\n",
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},
{
"id": "oqmd-1557216",
"created_at": "2022-09-04T15:55:47.883410Z",
"updated_at": "2022-09-04T15:55:47.883432Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.627455 -1.977049 0.000000\n7.627455 1.977049 0.000000\n-0.749659 0.000000 9.542719\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.614374 0.614374 0.453062 Gd\n0.385626 0.385626 0.546938 Gd\n0.108523 0.108523 0.323626 N\n0.891477 0.891477 0.676374 N\n0.965861 0.965861 0.225842 Nd\n0.034139 0.034139 0.774158 Nd\n0.469128 0.469128 0.356181 O\n0.530872 0.530872 0.643819 O\n0.792468 0.792468 0.343623 S\n0.207532 0.207532 0.656377 S\n0.373739 0.373739 0.004074 Se\n0.626261 0.626261 0.995926 Se\n0.211783 0.211783 0.183856 Y\n0.788217 0.788217 0.816144 Y\n",
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},
{
"id": "oqmd-1557209",
"created_at": "2022-09-04T15:55:47.842678Z",
"updated_at": "2022-09-04T15:55:47.842704Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.599524 -1.946677 0.000000\n7.599524 1.946677 0.000000\n-1.478063 0.000000 9.582905\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.612094 0.612094 0.447796 Gd\n0.387906 0.387906 0.552204 Gd\n0.097676 0.097676 0.312370 N\n0.902324 0.902324 0.687630 N\n0.461673 0.461673 0.360904 O\n0.538327 0.538327 0.639096 O\n0.786065 0.786065 0.347351 S\n0.213935 0.213935 0.652649 S\n0.371217 0.371217 0.026830 Se\n0.628783 0.628783 0.973170 Se\n0.199399 0.199399 0.178760 Tb\n0.800601 0.800601 0.821240 Tb\n0.951291 0.951291 0.240918 Y\n0.048709 0.048709 0.759082 Y\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",
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},
{
"id": "oqmd-1557233",
"created_at": "2022-09-04T15:55:47.885879Z",
"updated_at": "2022-09-04T15:55:47.885890Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.804838 -1.954196 0.000000\n7.804838 1.954196 0.000000\n-1.628468 0.000000 9.657500\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.909030 0.909030 0.192262 N\n0.090970 0.090970 0.807738 N\n0.809729 0.809729 0.335674 Nd\n0.190271 0.190271 0.664326 Nd\n0.540396 0.540396 0.136834 O\n0.459604 0.459604 0.863166 O\n0.629402 0.629402 0.461490 S\n0.370598 0.370598 0.538510 S\n0.215504 0.215504 0.144741 Se\n0.784496 0.784496 0.855259 Se\n0.053414 0.053414 0.258179 Tb\n0.946586 0.946586 0.741821 Tb\n0.393863 0.393863 0.057569 Y\n0.606137 0.606137 0.942431 Y\n",
"nsites": 14,
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"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558012",
"created_at": "2022-09-04T15:55:41.346590Z",
"updated_at": "2022-09-04T15:55:41.346619Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.874747 -1.952498 0.000000\n7.874747 1.952498 0.000000\n-1.642879 0.000000 9.664094\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.190280 0.190280 0.160917 Gd\n0.809720 0.809720 0.839083 Gd\n0.092014 0.092014 0.294852 N\n0.907986 0.907986 0.705148 N\n0.609636 0.609636 0.441695 Nd\n0.390364 0.390364 0.558305 Nd\n0.460413 0.460413 0.356206 O\n0.539587 0.539587 0.643794 O\n0.365731 0.365731 0.034036 S\n0.634269 0.634269 0.965964 S\n0.784181 0.784181 0.342176 Se\n0.215819 0.215819 0.657824 Se\n0.948236 0.948236 0.234401 Tb\n0.051764 0.051764 0.765599 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557417",
"created_at": "2022-09-04T15:55:47.953945Z",
"updated_at": "2022-09-04T15:55:47.953970Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.540785 -1.926037 0.000000\n7.540785 1.926037 0.000000\n-1.526254 0.000000 9.536671\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050522 0.050522 0.254599 Er\n0.949478 0.949478 0.745401 Er\n0.389235 0.389235 0.053594 Ho\n0.610765 0.610765 0.946406 Ho\n0.904270 0.904270 0.186346 N\n0.095730 0.095730 0.813654 N\n0.539764 0.539764 0.136898 O\n0.460236 0.460236 0.863102 O\n0.214398 0.214398 0.148102 S\n0.785602 0.785602 0.851898 S\n0.628589 0.628589 0.469502 Se\n0.371411 0.371411 0.530498 Se\n0.801830 0.801830 0.320894 Tb\n0.198170 0.198170 0.679106 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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}
]
}