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{
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{
"id": "oqmd-1558108",
"created_at": "2022-09-04T15:55:42.084706Z",
"updated_at": "2022-09-04T15:55:42.084734Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.660066 -1.965424 0.000000\n7.660066 1.965424 0.000000\n-1.631870 0.000000 9.788878\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.050637 0.050637 0.250198 Dy\n0.949363 0.949363 0.749802 Dy\n0.388644 0.388644 0.051523 Gd\n0.611356 0.611356 0.948477 Gd\n0.905131 0.905131 0.183517 N\n0.094869 0.094869 0.816483 N\n0.803519 0.803519 0.323807 Nd\n0.196481 0.196481 0.676193 Nd\n0.539301 0.539301 0.135718 O\n0.460699 0.460699 0.864282 O\n0.213896 0.213896 0.147720 S\n0.786104 0.786104 0.852280 S\n0.625513 0.625513 0.463728 Se\n0.374487 0.374487 0.536272 Se\n",
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{
"id": "oqmd-1557695",
"created_at": "2022-09-04T15:55:37.688917Z",
"updated_at": "2022-09-04T15:55:37.688942Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.556931 -1.940994 0.000000\n7.556931 1.940994 0.000000\n-1.289886 0.000000 9.512560\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610754 0.610754 0.447628 Er\n0.389246 0.389246 0.552372 Er\n0.952619 0.952619 0.239196 Gd\n0.047381 0.047381 0.760804 Gd\n0.099086 0.099086 0.318183 N\n0.900914 0.900914 0.681817 N\n0.462268 0.462268 0.363038 O\n0.537732 0.537732 0.636962 O\n0.786775 0.786775 0.352429 S\n0.213225 0.213225 0.647571 S\n0.370337 0.370337 0.021656 Se\n0.629663 0.629663 0.978344 Se\n0.202385 0.202385 0.182904 Y\n0.797615 0.797615 0.817096 Y\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.05016848441236448,
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"volume_molar": 12.003832347217148,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558184",
"created_at": "2022-09-04T15:55:39.568648Z",
"updated_at": "2022-09-04T15:55:39.568666Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.856618 -1.943926 0.000000\n7.856618 1.943926 0.000000\n-1.658216 0.000000 9.632963\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051904 0.051904 0.265554 Dy\n0.948096 0.948096 0.734446 Dy\n0.908385 0.908385 0.206623 N\n0.091615 0.091615 0.793377 N\n0.390259 0.390259 0.058695 Nd\n0.609741 0.609741 0.941305 Nd\n0.539865 0.539865 0.144388 O\n0.460135 0.460135 0.855612 O\n0.634512 0.634512 0.465709 S\n0.365488 0.365488 0.534291 S\n0.216047 0.216047 0.159097 Se\n0.783953 0.783953 0.840903 Se\n0.810319 0.810319 0.339561 Tb\n0.189681 0.189681 0.660439 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 294.24239980907913,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558220",
"created_at": "2022-09-04T15:55:42.753155Z",
"updated_at": "2022-09-04T15:55:42.753176Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.690644 -1.964417 0.000000\n7.690644 1.964417 0.000000\n-1.521340 0.000000 9.726956\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.047172 0.047172 0.259352 Dy\n0.952828 0.952828 0.740648 Dy\n0.800672 0.800672 0.325666 Gd\n0.199328 0.199328 0.674334 Gd\n0.902065 0.902065 0.192823 N\n0.097935 0.097935 0.807177 N\n0.385383 0.385383 0.051545 Nd\n0.614617 0.614617 0.948455 Nd\n0.537861 0.537861 0.143445 O\n0.462139 0.462139 0.856555 O\n0.212681 0.212681 0.158866 S\n0.787319 0.787319 0.841134 S\n0.628446 0.628446 0.471499 Se\n0.371554 0.371554 0.528501 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557265",
"created_at": "2022-09-04T15:55:47.232924Z",
"updated_at": "2022-09-04T15:55:47.232941Z",
"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.741739 -1.929107 0.000000\n7.741739 1.929107 0.000000\n-1.527113 0.000000 9.464392\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.806754 0.806754 0.335193 Dy\n0.193246 0.193246 0.664807 Dy\n0.392195 0.392195 0.058702 Gd\n0.607805 0.607805 0.941298 Gd\n0.906175 0.906175 0.200764 N\n0.093825 0.093825 0.799236 N\n0.538563 0.538563 0.141308 O\n0.461437 0.461437 0.858692 O\n0.634142 0.634142 0.469175 S\n0.365858 0.365858 0.530825 S\n0.214635 0.214635 0.152986 Se\n0.785365 0.785365 0.847014 Se\n0.050718 0.050718 0.267149 Y\n0.949282 0.949282 0.732851 Y\n",
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"volume": 282.69462951582904,
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"formula_full": "Gd2 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",
"nsites": 14,
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"elements": [
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"density": 6.52966363029604,
"density_atomic": 0.04992323098165956,
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"volume_molar": 12.062802510142763,
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558417",
"created_at": "2022-09-04T15:55:42.043272Z",
"updated_at": "2022-09-04T15:55:42.043299Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.766510 -1.934223 0.000000\n7.766510 1.934223 0.000000\n-1.401411 0.000000 9.483883\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.194504 0.194504 0.166818 Dy\n0.805496 0.805496 0.833182 Dy\n0.950722 0.950722 0.231695 Gd\n0.049278 0.049278 0.768305 Gd\n0.095488 0.095488 0.303269 N\n0.904512 0.904512 0.696731 N\n0.462206 0.462206 0.359006 O\n0.537794 0.537794 0.640994 O\n0.366393 0.366393 0.026714 S\n0.633607 0.633607 0.973286 S\n0.785715 0.785715 0.348341 Se\n0.214285 0.214285 0.651659 Se\n0.607755 0.607755 0.441828 Tb\n0.392245 0.392245 0.558172 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557949",
"created_at": "2022-09-04T15:55:41.480770Z",
"updated_at": "2022-09-04T15:55:41.480794Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.716095 -1.921772 0.000000\n7.716095 1.921772 0.000000\n-1.452867 0.000000 9.425702\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607343 0.607343 0.441291 Dy\n0.392657 0.392657 0.558709 Dy\n0.194034 0.194034 0.166855 Ho\n0.805966 0.805966 0.833145 Ho\n0.094611 0.094611 0.302536 N\n0.905389 0.905389 0.697464 N\n0.461636 0.461636 0.359584 O\n0.538364 0.538364 0.640416 O\n0.365617 0.365617 0.028178 S\n0.634383 0.634383 0.971822 S\n0.785430 0.785430 0.348791 Se\n0.214570 0.214570 0.651209 Se\n0.949833 0.949833 0.232360 Tb\n0.050167 0.050167 0.767640 Tb\n",
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},
{
"id": "oqmd-1557995",
"created_at": "2022-09-04T15:55:41.238237Z",
"updated_at": "2022-09-04T15:55:41.238257Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.711031 -1.921757 0.000000\n7.711031 1.921757 0.000000\n-1.448926 0.000000 9.426335\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806016 0.806016 0.332705 Dy\n0.193984 0.193984 0.667295 Dy\n0.393371 0.393371 0.058727 Ho\n0.606629 0.606629 0.941273 Ho\n0.905727 0.905727 0.195827 N\n0.094273 0.094273 0.804173 N\n0.538312 0.538312 0.139424 O\n0.461688 0.461688 0.860576 O\n0.633572 0.633572 0.471099 S\n0.366428 0.366428 0.528901 S\n0.214510 0.214510 0.149303 Se\n0.785490 0.785490 0.850697 Se\n0.050336 0.050336 0.266568 Tb\n0.949664 0.949664 0.733432 Tb\n",
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},
{
"id": "oqmd-1557803",
"created_at": "2022-09-04T15:55:38.389552Z",
"updated_at": "2022-09-04T15:55:38.389576Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.726134 -1.920313 0.000000\n7.726134 1.920313 0.000000\n-1.493108 0.000000 9.413552\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.193402 0.193402 0.165711 Er\n0.806598 0.806598 0.834289 Er\n0.093823 0.093823 0.298761 N\n0.906177 0.906177 0.701239 N\n0.461076 0.461076 0.359089 O\n0.538924 0.538924 0.640911 O\n0.364421 0.364421 0.029144 S\n0.635579 0.635579 0.970856 S\n0.784842 0.784842 0.347394 Se\n0.215158 0.215158 0.652606 Se\n0.607479 0.607479 0.440447 Tb\n0.392521 0.392521 0.559553 Tb\n0.948891 0.948891 0.232027 Y\n0.051109 0.051109 0.767973 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.611969516570775,
"density_atomic": 0.050119906934629324,
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"volume_molar": 12.01546676424318,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3618565957003272,
"spacegroup": 12
},
{
"id": "oqmd-1557676",
"created_at": "2022-09-04T15:55:39.482021Z",
"updated_at": "2022-09-04T15:55:39.482046Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.650703 -1.951099 0.000000\n7.650703 1.951099 0.000000\n-1.642613 0.000000 9.706639\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049491 0.049491 0.257586 Er\n0.950509 0.950509 0.742414 Er\n0.904269 0.904269 0.196259 N\n0.095731 0.095731 0.803741 N\n0.385547 0.385547 0.052647 Nd\n0.614453 0.614453 0.947353 Nd\n0.539481 0.539481 0.143271 O\n0.460519 0.460519 0.856729 O\n0.214235 0.214235 0.159311 S\n0.785765 0.785765 0.840689 S\n0.629157 0.629157 0.468003 Se\n0.370843 0.370843 0.531997 Se\n0.803167 0.803167 0.327232 Tb\n0.196833 0.196833 0.672768 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 7.007543637517932,
"density_atomic": 0.04831127648717221,
"volume": 289.7874164785799,
"volume_molar": 12.465290089362515,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.343340622128898,
"spacegroup": 12
},
{
"id": "oqmd-1558513",
"created_at": "2022-09-04T15:55:43.353084Z",
"updated_at": "2022-09-04T15:55:43.353121Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.584903 -1.936479 0.000000\n7.584903 1.936479 0.000000\n-1.398294 0.000000 9.549480\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.953160 0.953160 0.239756 Dy\n0.046840 0.046840 0.760244 Dy\n0.612913 0.612913 0.447637 Gd\n0.387087 0.387087 0.552363 Gd\n0.200676 0.200676 0.178813 Ho\n0.799324 0.799324 0.821187 Ho\n0.098892 0.098892 0.311452 N\n0.901108 0.901108 0.688548 N\n0.462347 0.462347 0.359664 O\n0.537653 0.537653 0.640336 O\n0.786744 0.786744 0.345310 S\n0.213256 0.213256 0.654690 S\n0.370319 0.370319 0.024550 Se\n0.629681 0.629681 0.975450 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.407653039213728,
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"volume_molar": 12.06689152558949,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.480242078247945,
"spacegroup": 12
}
]
}