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{
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"results": [
{
"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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{
"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",
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},
{
"id": "oqmd-1557797",
"created_at": "2022-09-04T15:55:40.467200Z",
"updated_at": "2022-09-04T15:55:40.467227Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.711466 -1.913529 0.000000\n7.711466 1.913529 0.000000\n-1.570392 0.000000 9.462518\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606777 0.606777 0.440384 Dy\n0.393223 0.393223 0.559616 Dy\n0.947499 0.947499 0.237695 Er\n0.052501 0.052501 0.762305 Er\n0.091736 0.091736 0.301066 N\n0.908264 0.908264 0.698934 N\n0.459805 0.459805 0.360422 O\n0.540195 0.540195 0.639578 O\n0.367842 0.367842 0.035025 S\n0.632158 0.632158 0.964975 S\n0.784738 0.784738 0.349949 Se\n0.215262 0.215262 0.650051 Se\n0.190919 0.190919 0.163842 Tb\n0.809081 0.809081 0.836158 Tb\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.05013249565078671,
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"volume_molar": 12.012449573524272,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"formation_energy": -2.3707328287955654,
"spacegroup": 12
},
{
"id": "oqmd-1557690",
"created_at": "2022-09-04T15:55:40.486476Z",
"updated_at": "2022-09-04T15:55:40.486511Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.804604 -1.942151 0.000000\n7.804604 1.942151 0.000000\n-1.781976 0.000000 9.693844\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.053824 0.053824 0.255531 Er\n0.946176 0.946176 0.744469 Er\n0.393526 0.393526 0.058235 Gd\n0.606474 0.606474 0.941765 Gd\n0.910872 0.910872 0.196363 N\n0.089128 0.089128 0.803637 N\n0.812316 0.812316 0.338435 Nd\n0.187684 0.187684 0.661565 Nd\n0.540579 0.540579 0.137885 O\n0.459421 0.459421 0.862115 O\n0.628852 0.628852 0.456274 S\n0.371148 0.371148 0.543726 S\n0.215685 0.215685 0.147859 Se\n0.784315 0.784315 0.852141 Se\n",
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"elements": [
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"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557661",
"created_at": "2022-09-04T15:55:40.010070Z",
"updated_at": "2022-09-04T15:55:40.010103Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.688905 -1.908581 0.000000\n7.688905 1.908581 0.000000\n-1.489503 0.000000 9.369879\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607345 0.607345 0.440611 Dy\n0.392655 0.392655 0.559389 Dy\n0.192940 0.192940 0.165907 Er\n0.807060 0.807060 0.834093 Er\n0.948915 0.948915 0.233555 Ho\n0.051085 0.051085 0.766445 Ho\n0.093284 0.093284 0.299651 N\n0.906716 0.906716 0.700349 N\n0.461004 0.461004 0.358967 O\n0.538996 0.538996 0.641033 O\n0.364922 0.364922 0.030314 S\n0.635078 0.635078 0.969686 S\n0.785019 0.785019 0.348577 Se\n0.214981 0.214981 0.651423 Se\n",
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"density": 7.677258879975479,
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558529",
"created_at": "2022-09-04T15:55:43.409232Z",
"updated_at": "2022-09-04T15:55:43.409260Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.755761 -1.924840 0.000000\n7.755761 1.924840 0.000000\n-1.504474 0.000000 9.480698\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948735 0.948735 0.233841 Dy\n0.051265 0.051265 0.766159 Dy\n0.607963 0.607963 0.440113 Gd\n0.392037 0.392037 0.559887 Gd\n0.192260 0.192260 0.164195 Ho\n0.807740 0.807740 0.835805 Ho\n0.093275 0.093275 0.297996 N\n0.906725 0.906725 0.702004 N\n0.460819 0.460819 0.358753 O\n0.539181 0.539181 0.641247 O\n0.365309 0.365309 0.030690 S\n0.634691 0.634691 0.969310 S\n0.784470 0.784470 0.346359 Se\n0.215530 0.215530 0.653641 Se\n",
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"density": 7.3411451927023075,
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557775",
"created_at": "2022-09-04T15:55:40.096677Z",
"updated_at": "2022-09-04T15:55:40.096710Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.724416 -1.928070 0.000000\n7.724416 1.928070 0.000000\n-1.413332 0.000000 9.450975\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606173 0.606173 0.441159 Er\n0.393827 0.393827 0.558841 Er\n0.948991 0.948991 0.234338 Gd\n0.051009 0.051009 0.765662 Gd\n0.094481 0.094481 0.306373 N\n0.905519 0.905519 0.693627 N\n0.461528 0.461528 0.362557 O\n0.538472 0.538472 0.637443 O\n0.365551 0.365551 0.029574 S\n0.634449 0.634449 0.970426 S\n0.785243 0.785243 0.353616 Se\n0.214757 0.214757 0.646384 Se\n0.194609 0.194609 0.168115 Tb\n0.805391 0.805391 0.831885 Tb\n",
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"elements": [
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},
{
"id": "oqmd-1557673",
"created_at": "2022-09-04T15:55:39.853562Z",
"updated_at": "2022-09-04T15:55:39.853588Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.678480 -1.906463 0.000000\n7.678480 1.906463 0.000000\n-1.548824 0.000000 9.404289\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.808537 0.808537 0.334945 Dy\n0.191463 0.191463 0.665055 Dy\n0.052405 0.052405 0.263334 Er\n0.947595 0.947595 0.736666 Er\n0.393630 0.393630 0.059843 Ho\n0.606370 0.606370 0.940157 Ho\n0.908000 0.908000 0.198704 N\n0.092000 0.092000 0.801296 N\n0.539897 0.539897 0.139353 O\n0.460103 0.460103 0.860647 O\n0.632862 0.632862 0.466321 S\n0.367138 0.367138 0.533679 S\n0.215233 0.215233 0.149686 Se\n0.784767 0.784767 0.850314 Se\n",
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558200",
"created_at": "2022-09-04T15:55:39.678435Z",
"updated_at": "2022-09-04T15:55:39.678459Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.814036 -1.959663 0.000000\n7.814036 1.959663 0.000000\n-1.195353 0.000000 9.515032\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802632 0.802632 0.329420 Dy\n0.197368 0.197368 0.670580 Dy\n0.901112 0.901112 0.190967 N\n0.098888 0.098888 0.809033 N\n0.046615 0.046615 0.274127 Nd\n0.953385 0.953385 0.725873 Nd\n0.535768 0.535768 0.140031 O\n0.464232 0.464232 0.859969 O\n0.634102 0.634102 0.481999 S\n0.365898 0.365898 0.518001 S\n0.213631 0.213631 0.152494 Se\n0.786369 0.786369 0.847506 Se\n0.392203 0.392203 0.056262 Tb\n0.607797 0.607797 0.943738 Tb\n",
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},
{
"id": "oqmd-1557950",
"created_at": "2022-09-04T15:55:40.551270Z",
"updated_at": "2022-09-04T15:55:40.551298Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.556971 -1.936263 0.000000\n7.556971 1.936263 0.000000\n-1.356708 0.000000 9.513554\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.200895 0.200895 0.182156 Dy\n0.799105 0.799105 0.817844 Dy\n0.610919 0.610919 0.447672 Ho\n0.389081 0.389081 0.552328 Ho\n0.098349 0.098349 0.316425 N\n0.901651 0.901651 0.683575 N\n0.461977 0.461977 0.362360 O\n0.538023 0.538023 0.637640 O\n0.786491 0.786491 0.350620 S\n0.213509 0.213509 0.649380 S\n0.370932 0.370932 0.022866 Se\n0.629068 0.629068 0.977134 Se\n0.952082 0.952082 0.240144 Tb\n0.047918 0.047918 0.759856 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557680",
"created_at": "2022-09-04T15:55:39.500604Z",
"updated_at": "2022-09-04T15:55:39.500631Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716663 -1.915558 0.000000\n7.716663 1.915558 0.000000\n-1.580946 0.000000 9.465865\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.947538 0.947538 0.236805 Er\n0.052462 0.052462 0.763195 Er\n0.091558 0.091558 0.299062 N\n0.908442 0.908442 0.700938 N\n0.459815 0.459815 0.359736 O\n0.540185 0.540185 0.640264 O\n0.366607 0.366607 0.035143 S\n0.633393 0.633393 0.964857 S\n0.784505 0.784505 0.347994 Se\n0.215495 0.215495 0.652006 Se\n0.607293 0.607293 0.440100 Tb\n0.392707 0.392707 0.559900 Tb\n0.191208 0.191208 0.163442 Y\n0.808792 0.808792 0.836558 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.599841106528378,
"density_atomic": 0.0500279714256911,
"volume": 279.84344759600856,
"volume_molar": 12.037547372763193,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.367828702128899,
"spacegroup": 12
},
{
"id": "oqmd-1557777",
"created_at": "2022-09-04T15:55:40.113369Z",
"updated_at": "2022-09-04T15:55:40.113391Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.643796 -1.944269 0.000000\n7.643796 1.944269 0.000000\n-1.618943 0.000000 9.652337\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.950089 0.950089 0.240095 Er\n0.049911 0.049911 0.759905 Er\n0.197412 0.197412 0.173687 Ho\n0.802588 0.802588 0.826313 Ho\n0.095738 0.095738 0.301515 N\n0.904262 0.904262 0.698485 N\n0.614443 0.614443 0.446570 Nd\n0.385557 0.385557 0.553430 Nd\n0.460185 0.460185 0.355845 O\n0.539815 0.539815 0.644155 O\n0.785447 0.785447 0.340104 S\n0.214553 0.214553 0.659896 S\n0.368580 0.368580 0.030250 Se\n0.631420 0.631420 0.969750 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.147624225576992,
"density_atomic": 0.048797786658206686,
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"volume_molar": 12.341012108153091,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}