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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=18",
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"results": [
{
"id": "oqmd-1558420",
"created_at": "2022-09-04T15:55:43.492130Z",
"updated_at": "2022-09-04T15:55:43.492156Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.760743 -1.935282 0.000000\n7.760743 1.935282 0.000000\n-1.426729 0.000000 9.491071\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393545 0.393545 0.059197 Dy\n0.606455 0.606455 0.940803 Dy\n0.050905 0.050905 0.266616 Gd\n0.949095 0.949095 0.733384 Gd\n0.905951 0.905951 0.196163 N\n0.094049 0.094049 0.803837 N\n0.538684 0.538684 0.139042 O\n0.461316 0.461316 0.860958 O\n0.633931 0.633931 0.471354 S\n0.366069 0.366069 0.528646 S\n0.214804 0.214804 0.148592 Se\n0.785196 0.785196 0.851408 Se\n0.805839 0.805839 0.332477 Tb\n0.194161 0.194161 0.667523 Tb\n",
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},
{
"id": "oqmd-1558414",
"created_at": "2022-09-04T15:55:43.493747Z",
"updated_at": "2022-09-04T15:55:43.493776Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.745813 -1.923759 0.000000\n7.745813 1.923759 0.000000\n-1.548328 0.000000 9.488509\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.191465 0.191465 0.163315 Dy\n0.808535 0.808535 0.836685 Dy\n0.608149 0.608149 0.440909 Gd\n0.391851 0.391851 0.559091 Gd\n0.948901 0.948901 0.235346 Ho\n0.051099 0.051099 0.764654 Ho\n0.092805 0.092805 0.298944 N\n0.907195 0.907195 0.701056 N\n0.460934 0.460934 0.358416 O\n0.539066 0.539066 0.641584 O\n0.366805 0.366805 0.032465 S\n0.633195 0.633195 0.967535 S\n0.784752 0.784752 0.346288 Se\n0.215248 0.215248 0.653712 Se\n",
"nsites": 14,
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"density_atomic": 0.04950879926361622,
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557955",
"created_at": "2022-09-04T15:55:41.446730Z",
"updated_at": "2022-09-04T15:55:41.446748Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.723774 -1.922005 0.000000\n7.723774 1.922005 0.000000\n-1.491332 0.000000 9.451524\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948331 0.948331 0.235771 Dy\n0.051669 0.051669 0.764229 Dy\n0.606242 0.606242 0.440923 Ho\n0.393758 0.393758 0.559077 Ho\n0.092898 0.092898 0.304287 N\n0.907102 0.907102 0.695713 N\n0.460868 0.460868 0.361505 O\n0.539132 0.539132 0.638495 O\n0.367504 0.367504 0.031560 S\n0.632496 0.632496 0.968440 S\n0.785076 0.785076 0.351410 Se\n0.214924 0.214924 0.648590 Se\n0.192389 0.192389 0.166318 Tb\n0.807611 0.807611 0.833682 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.425035620442552,
"density_atomic": 0.049889841905400675,
"volume": 280.61824742893145,
"volume_molar": 12.07087561315381,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558043",
"created_at": "2022-09-04T15:55:41.363814Z",
"updated_at": "2022-09-04T15:55:41.363849Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.705702 -1.970554 0.000000\n7.705702 1.970554 0.000000\n-1.450822 0.000000 9.718442\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953451 0.953451 0.237274 Gd\n0.046549 0.046549 0.762726 Gd\n0.099250 0.099250 0.308032 N\n0.900750 0.900750 0.691968 N\n0.614608 0.614608 0.448713 Nd\n0.385392 0.385392 0.551287 Nd\n0.462616 0.462616 0.356407 O\n0.537384 0.537384 0.643593 O\n0.787053 0.787053 0.341094 S\n0.212947 0.212947 0.658906 S\n0.370071 0.370071 0.024123 Se\n0.629929 0.629929 0.975877 Se\n0.200490 0.200490 0.176441 Tb\n0.799510 0.799510 0.823559 Tb\n",
"nsites": 14,
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"elements": [
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"density": 6.767843540916449,
"density_atomic": 0.04743521164847673,
"volume": 295.1394020068545,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558045",
"created_at": "2022-09-04T15:55:41.291048Z",
"updated_at": "2022-09-04T15:55:41.291070Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.821260 -1.956907 0.000000\n7.821260 1.956907 0.000000\n-1.602529 0.000000 9.666937\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.605145 0.605145 0.441978 Dy\n0.394855 0.394855 0.558022 Dy\n0.946399 0.946399 0.241380 Gd\n0.053601 0.053601 0.758620 Gd\n0.090961 0.090961 0.308856 N\n0.909039 0.909039 0.691144 N\n0.190553 0.190553 0.165966 Nd\n0.809447 0.809447 0.834034 Nd\n0.460144 0.460144 0.364480 O\n0.539856 0.539856 0.635520 O\n0.369397 0.369397 0.037441 S\n0.630603 0.630603 0.962559 S\n0.784326 0.784326 0.355882 Se\n0.215674 0.215674 0.644118 Se\n",
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"density": 6.79024204885188,
"density_atomic": 0.04731101242043768,
"volume": 295.9141917231981,
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558492",
"created_at": "2022-09-04T15:55:42.252643Z",
"updated_at": "2022-09-04T15:55:42.252669Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.578399 -1.941411 0.000000\n7.578399 1.941411 0.000000\n-1.262543 0.000000 9.512387\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.797352 0.797352 0.316969 Dy\n0.202648 0.202648 0.683031 Dy\n0.045828 0.045828 0.261789 Gd\n0.954172 0.954172 0.738211 Gd\n0.388941 0.388941 0.051728 Ho\n0.611059 0.611059 0.948272 Ho\n0.900113 0.900113 0.182192 N\n0.099887 0.099887 0.817808 N\n0.536699 0.536699 0.138165 O\n0.463301 0.463301 0.861835 O\n0.212746 0.212746 0.149521 S\n0.787254 0.787254 0.850479 S\n0.629147 0.629147 0.479671 Se\n0.370853 0.370853 0.520329 Se\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.05001653206644681,
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558052",
"created_at": "2022-09-04T15:55:41.302218Z",
"updated_at": "2022-09-04T15:55:41.302242Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.864901 -1.948167 0.000000\n7.864901 1.948167 0.000000\n-1.683386 0.000000 9.660917\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.947665 0.947665 0.235428 Dy\n0.052335 0.052335 0.764572 Dy\n0.189193 0.189193 0.160312 Gd\n0.810807 0.810807 0.839688 Gd\n0.091057 0.091057 0.294232 N\n0.908943 0.908943 0.705768 N\n0.609480 0.609480 0.441542 Nd\n0.390520 0.390520 0.558458 Nd\n0.459869 0.459869 0.356083 O\n0.540131 0.540131 0.643917 O\n0.365925 0.365925 0.035503 S\n0.634075 0.634075 0.964497 S\n0.783843 0.783843 0.341922 Se\n0.216157 0.216157 0.658078 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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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-1558013",
"created_at": "2022-09-04T15:55:42.292028Z",
"updated_at": "2022-09-04T15:55:42.292056Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.842094 -1.936668 0.000000\n7.842094 1.936668 0.000000\n-1.630282 0.000000 9.588388\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.948340 0.948340 0.232715 Dy\n0.051660 0.051660 0.767285 Dy\n0.190284 0.190284 0.160855 Ho\n0.809716 0.809716 0.839145 Ho\n0.092088 0.092088 0.291586 N\n0.907912 0.907912 0.708414 N\n0.609941 0.609941 0.440651 Nd\n0.390059 0.390059 0.559349 Nd\n0.460255 0.460255 0.355150 O\n0.539745 0.539745 0.644850 O\n0.363866 0.363866 0.032659 S\n0.636134 0.636134 0.967341 S\n0.783894 0.783894 0.339708 Se\n0.216106 0.216106 0.660292 Se\n",
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},
{
"id": "oqmd-1558219",
"created_at": "2022-09-04T15:55:42.116548Z",
"updated_at": "2022-09-04T15:55:42.116582Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.840178 -1.935789 0.000000\n7.840178 1.935789 0.000000\n-1.669872 0.000000 9.602109\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.810844 0.810844 0.340020 Dy\n0.189156 0.189156 0.659980 Dy\n0.051828 0.051828 0.265577 Ho\n0.948172 0.948172 0.734423 Ho\n0.908582 0.908582 0.207874 N\n0.091418 0.091418 0.792126 N\n0.390095 0.390095 0.058973 Nd\n0.609905 0.609905 0.941027 Nd\n0.539967 0.539967 0.145068 O\n0.460033 0.460033 0.854932 O\n0.634640 0.634640 0.465613 S\n0.365360 0.365360 0.534387 S\n0.216159 0.216159 0.160381 Se\n0.783841 0.783841 0.839619 Se\n",
"nsites": 14,
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4192644928908016,
"spacegroup": 12
},
{
"id": "oqmd-1558233",
"created_at": "2022-09-04T15:55:42.145459Z",
"updated_at": "2022-09-04T15:55:42.145474Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.675010 -1.972391 0.000000\n7.675010 1.972391 0.000000\n-1.451681 0.000000 9.744770\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952527 0.952527 0.245405 Gd\n0.047473 0.047473 0.754595 Gd\n0.097707 0.097707 0.319936 N\n0.902293 0.902293 0.680064 N\n0.200778 0.200778 0.179700 Nd\n0.799222 0.799222 0.820300 Nd\n0.462743 0.462743 0.363726 O\n0.537257 0.537257 0.636274 O\n0.788279 0.788279 0.354491 S\n0.211721 0.211721 0.645509 S\n0.374992 0.374992 0.028902 Se\n0.625008 0.625008 0.971098 Se\n0.611051 0.611051 0.449772 Tb\n0.388949 0.388949 0.550228 Tb\n",
"nsites": 14,
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"elements": [
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"density": 6.770238249623098,
"density_atomic": 0.04745199594818011,
"volume": 295.0350079117574,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
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},
{
"id": "oqmd-1558159",
"created_at": "2022-09-04T15:55:41.709839Z",
"updated_at": "2022-09-04T15:55:41.709859Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.651738 -1.966592 0.000000\n7.651738 1.966592 0.000000\n-1.412998 0.000000 9.708912\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.952563 0.952563 0.245896 Gd\n0.047437 0.047437 0.754104 Gd\n0.609918 0.609918 0.449470 Ho\n0.390082 0.390082 0.550530 Ho\n0.097655 0.097655 0.322305 N\n0.902345 0.902345 0.677695 N\n0.201206 0.201206 0.181195 Nd\n0.798794 0.798794 0.818805 Nd\n0.462750 0.462750 0.365005 O\n0.537250 0.537250 0.634995 O\n0.788416 0.788416 0.356477 S\n0.211584 0.211584 0.643523 S\n0.375265 0.375265 0.028383 Se\n0.624735 0.624735 0.971617 Se\n",
"nsites": 14,
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"elements": [
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"volume": 292.1964395160208,
"volume_molar": 12.568914916687882,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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}
]
}