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{
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"results": [
{
"id": "oqmd-1557668",
"created_at": "2022-09-04T15:55:40.711147Z",
"updated_at": "2022-09-04T15:55:40.711164Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.737953 -1.917439 0.000000\n7.737953 1.917439 0.000000\n-1.616993 0.000000 9.488261\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.393799 0.393799 0.059553 Dy\n0.606201 0.606201 0.940447 Dy\n0.052642 0.052642 0.260655 Er\n0.947358 0.947358 0.739345 Er\n0.809612 0.809612 0.335680 Gd\n0.190388 0.190388 0.664320 Gd\n0.909003 0.909003 0.197993 N\n0.090997 0.090997 0.802007 N\n0.539790 0.539790 0.139166 O\n0.460210 0.460210 0.860834 O\n0.631806 0.631806 0.463625 S\n0.368194 0.368194 0.536375 S\n0.215447 0.215447 0.148979 Se\n0.784553 0.784553 0.851021 Se\n",
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{
"id": "oqmd-1558523",
"created_at": "2022-09-04T15:55:43.237475Z",
"updated_at": "2022-09-04T15:55:43.237496Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.594484 -1.941361 0.000000\n7.594484 1.941361 0.000000\n-1.432404 0.000000 9.596447\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799576 0.799576 0.321505 Gd\n0.200424 0.200424 0.678495 Gd\n0.047248 0.047248 0.256323 Ho\n0.952752 0.952752 0.743677 Ho\n0.902133 0.902133 0.185738 N\n0.097867 0.097867 0.814262 N\n0.537891 0.537891 0.139029 O\n0.462109 0.462109 0.860971 O\n0.212315 0.212315 0.150673 S\n0.787685 0.787685 0.849327 S\n0.627116 0.627116 0.471901 Se\n0.372884 0.372884 0.528099 Se\n0.387916 0.387916 0.051973 Tb\n0.612084 0.612084 0.948027 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.049474680538130665,
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"volume_molar": 12.172167044835534,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558381",
"created_at": "2022-09-04T15:55:43.277694Z",
"updated_at": "2022-09-04T15:55:43.277724Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.613291 -1.945609 0.000000\n7.613291 1.945609 0.000000\n-1.419473 0.000000 9.597246\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953034 0.953034 0.240942 Dy\n0.046966 0.046966 0.759058 Dy\n0.612511 0.612511 0.447936 Gd\n0.387489 0.387489 0.552064 Gd\n0.098435 0.098435 0.312580 N\n0.901565 0.901565 0.687420 N\n0.462413 0.462413 0.360042 O\n0.537587 0.537587 0.639958 O\n0.787219 0.787219 0.347083 S\n0.212781 0.212781 0.652917 S\n0.371612 0.371612 0.026076 Se\n0.628388 0.628388 0.973924 Se\n0.200724 0.200724 0.178319 Tb\n0.799276 0.799276 0.821681 Tb\n",
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"elements": [
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"density": 7.238698536893156,
"density_atomic": 0.04924060910840751,
"volume": 284.3181726119142,
"volume_molar": 12.230028972106602,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"formation_energy": -2.380660761295565,
"spacegroup": 12
},
{
"id": "oqmd-1557404",
"created_at": "2022-09-04T15:55:47.967471Z",
"updated_at": "2022-09-04T15:55:47.967500Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.566299 -1.934456 0.000000\n7.566299 1.934456 0.000000\n-1.411937 0.000000 9.507681\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.799346 0.799346 0.319950 Er\n0.200654 0.200654 0.680050 Er\n0.901388 0.901388 0.188607 N\n0.098612 0.098612 0.811393 N\n0.538235 0.538235 0.139332 O\n0.461765 0.461765 0.860668 O\n0.213919 0.213919 0.153321 S\n0.786081 0.786081 0.846679 S\n0.630726 0.630726 0.476211 Se\n0.369274 0.369274 0.523789 Se\n0.387862 0.387862 0.052987 Tb\n0.612138 0.612138 0.947013 Tb\n0.047974 0.047974 0.261302 Y\n0.952026 0.952026 0.738698 Y\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.05030151698818308,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557402",
"created_at": "2022-09-04T15:55:47.968033Z",
"updated_at": "2022-09-04T15:55:47.968048Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.525720 -1.923694 0.000000\n7.525720 1.923694 0.000000\n-1.341619 0.000000 9.449924\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.047196 0.047196 0.259593 Dy\n0.952804 0.952804 0.740407 Dy\n0.389031 0.389031 0.052669 Er\n0.610969 0.610969 0.947331 Er\n0.798575 0.798575 0.318091 Ho\n0.201425 0.201425 0.681909 Ho\n0.901274 0.901274 0.183637 N\n0.098726 0.098726 0.816363 N\n0.538008 0.538008 0.137759 O\n0.461992 0.461992 0.862241 O\n0.213242 0.213242 0.149629 S\n0.786758 0.786758 0.850371 S\n0.628895 0.628895 0.477059 Se\n0.371105 0.371105 0.522941 Se\n",
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"elements": [
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"density": 7.716189714228434,
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557259",
"created_at": "2022-09-04T15:55:48.000789Z",
"updated_at": "2022-09-04T15:55:48.000808Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.555664 -1.928164 0.000000\n7.555664 1.928164 0.000000\n-1.486993 0.000000 9.534374\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.611484 0.611484 0.446470 Dy\n0.388516 0.388516 0.553530 Dy\n0.950450 0.950450 0.243729 Ho\n0.049550 0.049550 0.756271 Ho\n0.096711 0.096711 0.312911 N\n0.903289 0.903289 0.687089 N\n0.460812 0.460812 0.361982 O\n0.539188 0.539188 0.638018 O\n0.785828 0.785828 0.350466 S\n0.214172 0.214172 0.649534 S\n0.370247 0.370247 0.028640 Se\n0.629753 0.629753 0.971360 Se\n0.199196 0.199196 0.179159 Y\n0.800804 0.800804 0.820841 Y\n",
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"density": 6.663183433114431,
"density_atomic": 0.0503952088726836,
"volume": 277.80418641321694,
"volume_molar": 11.949827959269086,
"formula_full": "Dy2 Y2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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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"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557762",
"created_at": "2022-09-04T15:55:40.389241Z",
"updated_at": "2022-09-04T15:55:40.389265Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.553466 -1.924973 0.000000\n7.553466 1.924973 0.000000\n-1.523473 0.000000 9.522773\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950128 0.950128 0.242719 Er\n0.049872 0.049872 0.757281 Er\n0.198237 0.198237 0.178090 Ho\n0.801763 0.801763 0.821910 Ho\n0.096412 0.096412 0.309941 N\n0.903588 0.903588 0.690059 N\n0.460483 0.460483 0.360802 O\n0.539517 0.539517 0.639198 O\n0.785452 0.785452 0.347799 S\n0.214548 0.214548 0.652201 S\n0.369923 0.369923 0.028891 Se\n0.630077 0.630077 0.971109 Se\n0.612041 0.612041 0.446406 Tb\n0.387959 0.387959 0.553594 Tb\n",
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557769",
"created_at": "2022-09-04T15:55:40.802103Z",
"updated_at": "2022-09-04T15:55:40.802124Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.582723 -1.946767 0.000000\n7.582723 1.946767 0.000000\n-1.671490 0.000000 9.736686\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051881 0.051881 0.247995 Er\n0.948119 0.948119 0.752005 Er\n0.390478 0.390478 0.052361 Ho\n0.609522 0.609522 0.947639 Ho\n0.906374 0.906374 0.181471 N\n0.093626 0.093626 0.818529 N\n0.803771 0.803771 0.322251 Nd\n0.196229 0.196229 0.677749 Nd\n0.540013 0.540013 0.133776 O\n0.459987 0.459987 0.866224 O\n0.213759 0.213759 0.143502 S\n0.786241 0.786241 0.856498 S\n0.624541 0.624541 0.461992 Se\n0.375459 0.375459 0.538008 Se\n",
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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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"spacegroup": 12
},
{
"id": "oqmd-1557815",
"created_at": "2022-09-04T15:55:40.895451Z",
"updated_at": "2022-09-04T15:55:40.895471Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.728109 -1.920105 0.000000\n7.728109 1.920105 0.000000\n-1.609333 0.000000 9.492333\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.947301 0.947301 0.238789 Er\n0.052699 0.052699 0.761211 Er\n0.190514 0.190514 0.163337 Gd\n0.809486 0.809486 0.836663 Gd\n0.091304 0.091304 0.301058 N\n0.908696 0.908696 0.698942 N\n0.459472 0.459472 0.360343 O\n0.540528 0.540528 0.639657 O\n0.368403 0.368403 0.036256 S\n0.631597 0.631597 0.963744 S\n0.784573 0.784573 0.350462 Se\n0.215427 0.215427 0.649538 Se\n0.607023 0.607023 0.440678 Y\n0.392977 0.392977 0.559322 Y\n",
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"elements": [
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"density": 6.536377558395873,
"density_atomic": 0.04969662058409418,
"volume": 281.709296033719,
"volume_molar": 12.117807386539752,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.448632953962231,
"spacegroup": 12
},
{
"id": "oqmd-1558444",
"created_at": "2022-09-04T15:55:40.813540Z",
"updated_at": "2022-09-04T15:55:40.813559Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.757571 -1.931757 0.000000\n7.757571 1.931757 0.000000\n-1.372248 0.000000 9.454596\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049310 0.049310 0.269478 Gd\n0.950690 0.950690 0.730522 Gd\n0.805195 0.805195 0.333200 Ho\n0.194805 0.194805 0.666800 Ho\n0.904488 0.904488 0.197744 N\n0.095512 0.095512 0.802256 N\n0.537826 0.537826 0.140975 O\n0.462174 0.462174 0.859025 O\n0.634319 0.634319 0.473908 S\n0.365681 0.365681 0.526092 S\n0.214336 0.214336 0.152624 Se\n0.785664 0.785664 0.847376 Se\n0.392380 0.392380 0.058749 Tb\n0.607620 0.607620 0.941251 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}