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{
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"results": [
{
"id": "oqmd-1557140",
"created_at": "2022-09-04T15:55:47.626317Z",
"updated_at": "2022-09-04T15:55:47.626341Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.833700 -1.944789 0.000000\n7.833700 1.944789 0.000000\n-1.598605 0.000000 9.594028\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.808341 0.808341 0.339577 Dy\n0.191659 0.191659 0.660423 Dy\n0.906910 0.906910 0.207712 N\n0.093090 0.093090 0.792288 N\n0.389839 0.389839 0.058758 Nd\n0.610161 0.610161 0.941242 Nd\n0.539441 0.539441 0.144996 O\n0.460559 0.460559 0.855004 O\n0.634616 0.634616 0.467776 S\n0.365384 0.365384 0.532224 S\n0.215197 0.215197 0.159805 Se\n0.784803 0.784803 0.840195 Se\n0.050955 0.050955 0.268430 Y\n0.949045 0.949045 0.731570 Y\n",
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},
{
"id": "oqmd-1558125",
"created_at": "2022-09-04T15:55:42.652378Z",
"updated_at": "2022-09-04T15:55:42.652407Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.590383 -1.967429 0.000000\n7.590383 1.967429 0.000000\n-0.625937 0.000000 9.480360\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.786882 0.786882 0.314771 Ho\n0.213118 0.213118 0.685229 Ho\n0.889895 0.889895 0.174068 N\n0.110105 0.110105 0.825932 N\n0.031286 0.031286 0.276412 Nd\n0.968714 0.968714 0.723588 Nd\n0.529652 0.529652 0.144344 O\n0.470348 0.470348 0.855656 O\n0.206578 0.206578 0.157714 S\n0.793422 0.793422 0.842286 S\n0.374882 0.374882 0.499501 Se\n0.625118 0.625118 0.500499 Se\n0.385640 0.385640 0.045913 Tb\n0.614360 0.614360 0.954087 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density_atomic": 0.04944364184185153,
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"volume_molar": 12.179808233507922,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
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"spacegroup": 12
},
{
"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",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Gd-N-O-S-Se-Y",
"density": 6.45768656050179,
"density_atomic": 0.0495234027755596,
"volume": 282.69462951582904,
"volume_molar": 12.160191793145522,
"formula_full": "Gd2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "GdDyYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.447070679200326,
"spacegroup": 12
},
{
"id": "oqmd-1558171",
"created_at": "2022-09-04T15:55:42.598479Z",
"updated_at": "2022-09-04T15:55:42.598505Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790971 -1.941772 0.000000\n7.790971 1.941772 0.000000\n-1.692155 0.000000 9.645323\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.945172 0.945172 0.243835 Dy\n0.054828 0.054828 0.756165 Dy\n0.604370 0.604370 0.441685 Ho\n0.395630 0.395630 0.558315 Ho\n0.089155 0.089155 0.308257 N\n0.910845 0.910845 0.691743 N\n0.188633 0.188633 0.165410 Nd\n0.811367 0.811367 0.834590 Nd\n0.459291 0.459291 0.364960 O\n0.540709 0.540709 0.635040 O\n0.369089 0.369089 0.041276 S\n0.630911 0.630911 0.958724 S\n0.784107 0.784107 0.357171 Se\n0.215893 0.215893 0.642829 Se\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
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"density_atomic": 0.04797239954506441,
"volume": 291.8344742553195,
"volume_molar": 12.553344875615215,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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",
"nsites": 14,
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"elements": [
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"N",
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"S",
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"density": 6.817095398069621,
"density_atomic": 0.04749811313484972,
"volume": 294.7485505424866,
"volume_molar": 12.678694715520207,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.435512469200326,
"spacegroup": 12
},
{
"id": "oqmd-1558383",
"created_at": "2022-09-04T15:55:42.619581Z",
"updated_at": "2022-09-04T15:55:42.619603Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.599480 -1.947093 0.000000\n7.599480 1.947093 0.000000\n-1.288751 0.000000 9.550822\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953680 0.953680 0.239510 Gd\n0.046320 0.046320 0.760490 Gd\n0.610993 0.610993 0.448295 Ho\n0.389007 0.389007 0.551705 Ho\n0.099496 0.099496 0.318419 N\n0.900504 0.900504 0.681581 N\n0.463085 0.463085 0.362511 O\n0.536915 0.536915 0.637489 O\n0.787164 0.787164 0.351251 S\n0.212836 0.212836 0.648749 S\n0.371453 0.371453 0.021661 Se\n0.628547 0.628547 0.978339 Se\n0.202317 0.202317 0.182421 Tb\n0.797683 0.797683 0.817579 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
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],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.310105497254322,
"density_atomic": 0.049532097263902265,
"volume": 282.6450074465723,
"volume_molar": 12.158057285389331,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.383319242962231,
"spacegroup": 12
},
{
"id": "oqmd-1557494",
"created_at": "2022-09-04T15:55:46.620241Z",
"updated_at": "2022-09-04T15:55:46.620252Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.694089 -1.917523 0.000000\n7.694089 1.917523 0.000000\n-1.433602 0.000000 9.392206\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606217 0.606217 0.440678 Er\n0.393783 0.393783 0.559322 Er\n0.194002 0.194002 0.168039 Ho\n0.805998 0.805998 0.831961 Ho\n0.094170 0.094170 0.304145 N\n0.905830 0.905830 0.695855 N\n0.461170 0.461170 0.361457 O\n0.538830 0.538830 0.638543 O\n0.365086 0.365086 0.028574 S\n0.634914 0.634914 0.971426 S\n0.784931 0.784931 0.351664 Se\n0.215069 0.215069 0.648336 Se\n0.948824 0.948824 0.233143 Tb\n0.051176 0.051176 0.766857 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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],
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"density": 7.575319189665803,
"density_atomic": 0.050516429042154705,
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbHoErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558028",
"created_at": "2022-09-04T15:55:42.297881Z",
"updated_at": "2022-09-04T15:55:42.297909Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.819807 -1.964951 0.000000\n7.819807 1.964951 0.000000\n-1.197934 0.000000 9.539036\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.606902 0.606902 0.443859 Dy\n0.393098 0.393098 0.556141 Dy\n0.197681 0.197681 0.171022 Gd\n0.802319 0.802319 0.828978 Gd\n0.098403 0.098403 0.311486 N\n0.901597 0.901597 0.688514 N\n0.953129 0.953129 0.227609 Nd\n0.046871 0.046871 0.772391 Nd\n0.464189 0.464189 0.361197 O\n0.535811 0.535811 0.638803 O\n0.367165 0.367165 0.019638 S\n0.632835 0.632835 0.980362 S\n0.786652 0.786652 0.350638 Se\n0.213348 0.213348 0.649362 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558135",
"created_at": "2022-09-04T15:55:42.090106Z",
"updated_at": "2022-09-04T15:55:42.090124Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.623708 -1.953631 0.000000\n7.623708 1.953631 0.000000\n-1.630031 0.000000 9.742101\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.610137 0.610137 0.447942 Dy\n0.389863 0.389863 0.552058 Dy\n0.948824 0.948824 0.251422 Ho\n0.051176 0.051176 0.748578 Ho\n0.094252 0.094252 0.318364 N\n0.905748 0.905748 0.681636 N\n0.196239 0.196239 0.177111 Nd\n0.803761 0.803761 0.822889 Nd\n0.460266 0.460266 0.365577 O\n0.539734 0.539734 0.634423 O\n0.786132 0.786132 0.354433 S\n0.213868 0.213868 0.645567 S\n0.374895 0.374895 0.037493 Se\n0.625105 0.625105 0.962507 Se\n",
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},
{
"id": "oqmd-1558217",
"created_at": "2022-09-04T15:55:42.063067Z",
"updated_at": "2022-09-04T15:55:42.063092Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.688671 -1.963432 0.000000\n7.688671 1.963432 0.000000\n-1.419148 0.000000 9.673069\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.953828 0.953828 0.235626 Gd\n0.046172 0.046172 0.764374 Gd\n0.200710 0.200710 0.176711 Ho\n0.799290 0.799290 0.823289 Ho\n0.099775 0.099775 0.306879 N\n0.900225 0.900225 0.693121 N\n0.614841 0.614841 0.448379 Nd\n0.385159 0.385159 0.551621 Nd\n0.462720 0.462720 0.355788 O\n0.537280 0.537280 0.644212 O\n0.786808 0.786808 0.338958 S\n0.213192 0.213192 0.661042 S\n0.368611 0.368611 0.022643 Se\n0.631389 0.631389 0.977357 Se\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.436097881581278,
"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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],
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"density": 7.2229810803687435,
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558100",
"created_at": "2022-09-04T15:55:41.981630Z",
"updated_at": "2022-09-04T15:55:41.981648Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.819055 -1.959107 0.000000\n7.819055 1.959107 0.000000\n-1.220839 0.000000 9.518125\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.391599 0.391599 0.056480 Gd\n0.608401 0.608401 0.943520 Gd\n0.802320 0.802320 0.329576 Ho\n0.197680 0.197680 0.670424 Ho\n0.900898 0.900898 0.193592 N\n0.099102 0.099102 0.806408 N\n0.046626 0.046626 0.275547 Nd\n0.953374 0.953374 0.724453 Nd\n0.535928 0.535928 0.141421 O\n0.464072 0.464072 0.858579 O\n0.635464 0.635464 0.482480 S\n0.364536 0.364536 0.517520 S\n0.213665 0.213665 0.153164 Se\n0.786335 0.786335 0.846836 Se\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 12.543440982661322,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4205086437241343,
"spacegroup": 12
}
]
}