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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=33",
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"results": [
{
"id": "oqmd-1557405",
"created_at": "2022-09-04T15:55:49.618727Z",
"updated_at": "2022-09-04T15:55:49.618748Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.555696 -1.928019 0.000000\n7.555696 1.928019 0.000000\n-1.546701 0.000000 9.550491\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.198130 0.198130 0.178168 Dy\n0.801870 0.801870 0.821832 Dy\n0.949687 0.949687 0.244145 Er\n0.050313 0.050313 0.755855 Er\n0.095981 0.095981 0.310580 N\n0.904019 0.904019 0.689420 N\n0.460200 0.460200 0.361760 O\n0.539800 0.539800 0.638240 O\n0.785547 0.785547 0.348986 S\n0.214453 0.214453 0.651014 S\n0.370444 0.370444 0.029972 Se\n0.629556 0.629556 0.970028 Se\n0.611909 0.611909 0.446444 Tb\n0.388091 0.388091 0.553556 Tb\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.05031373464672249,
"volume": 278.25404133286656,
"volume_molar": 11.969178599609862,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
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{
"id": "oqmd-1557339",
"created_at": "2022-09-04T15:55:49.299970Z",
"updated_at": "2022-09-04T15:55:49.299997Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.709822 -1.917375 0.000000\n7.709822 1.917375 0.000000\n-1.556688 0.000000 9.438639\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.808437 0.808437 0.335194 Dy\n0.191563 0.191563 0.664806 Dy\n0.052160 0.052160 0.263694 Ho\n0.947840 0.947840 0.736306 Ho\n0.907798 0.907798 0.199572 N\n0.092202 0.092202 0.800428 N\n0.540337 0.540337 0.140087 O\n0.459663 0.459663 0.859913 O\n0.633349 0.633349 0.467421 S\n0.366651 0.366651 0.532579 S\n0.215738 0.215738 0.150843 Se\n0.784262 0.784262 0.849157 Se\n0.392759 0.392759 0.059482 Y\n0.607241 0.607241 0.940518 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
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"Y"
],
"chemical_system": "Dy-Ho-N-O-S-Se-Y",
"density": 6.633302025714157,
"density_atomic": 0.050169208825939775,
"volume": 279.05562650135636,
"volume_molar": 12.003659019008246,
"formula_full": "Dy2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "DyYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4551025271765163,
"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",
"nsites": 14,
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"elements": [
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"Gd",
"N",
"Nd",
"O",
"S",
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],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.836718690916516,
"density_atomic": 0.04763483843049162,
"volume": 293.9025398486171,
"volume_molar": 12.642303319213438,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4320220863431823,
"spacegroup": 12
},
{
"id": "oqmd-1558203",
"created_at": "2022-09-04T15:55:42.328306Z",
"updated_at": "2022-09-04T15:55:42.328326Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.601268 -1.969769 0.000000\n7.601268 1.969769 0.000000\n-0.638934 0.000000 9.487172\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.612536 0.612536 0.453146 Ho\n0.387464 0.387464 0.546854 Ho\n0.108553 0.108553 0.328478 N\n0.891447 0.891447 0.671522 N\n0.967091 0.967091 0.225539 Nd\n0.032909 0.032909 0.774461 Nd\n0.469484 0.469484 0.357787 O\n0.530516 0.530516 0.642213 O\n0.792852 0.792852 0.346895 S\n0.207148 0.207148 0.653105 S\n0.376033 0.376033 0.000588 Se\n0.623967 0.623967 0.999412 Se\n0.212687 0.212687 0.186465 Tb\n0.787313 0.787313 0.813535 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 7.120657424954734,
"density_atomic": 0.049278777182277675,
"volume": 284.0979586042747,
"volume_molar": 12.220556402454255,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
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"formation_energy": -2.354200194033659,
"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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"Gd",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"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-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,
"nelements": 7,
"elements": [
"Dy",
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"N",
"O",
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],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.2229810803687435,
"density_atomic": 0.049133692495020094,
"volume": 284.9368587842031,
"volume_molar": 12.256641937933669,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3606019077241363,
"spacegroup": 12
},
{
"id": "oqmd-1558139",
"created_at": "2022-09-04T15:55:41.792349Z",
"updated_at": "2022-09-04T15:55:41.792373Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672744 -1.958492 0.000000\n7.672744 1.958492 0.000000\n-1.457332 0.000000 9.673526\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799897 0.799897 0.323853 Ho\n0.200103 0.200103 0.676147 Ho\n0.900818 0.900818 0.193832 N\n0.099182 0.099182 0.806168 N\n0.385126 0.385126 0.051772 Nd\n0.614874 0.614874 0.948228 Nd\n0.537648 0.537648 0.144468 O\n0.462352 0.462352 0.855532 O\n0.213195 0.213195 0.161276 S\n0.786805 0.786805 0.838724 S\n0.630949 0.630949 0.476120 Se\n0.369051 0.369051 0.523880 Se\n0.046507 0.046507 0.263300 Tb\n0.953493 0.953493 0.736700 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
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],
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"density": 6.958263908361507,
"density_atomic": 0.048154926750715164,
"volume": 290.7283001898052,
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
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"formation_energy": -2.345229732605088,
"spacegroup": 12
},
{
"id": "oqmd-1558195",
"created_at": "2022-09-04T15:55:41.991400Z",
"updated_at": "2022-09-04T15:55:41.991430Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.839037 -1.965990 0.000000\n7.839037 1.965990 0.000000\n-1.230963 0.000000 9.555580\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.608177 0.608177 0.444032 Gd\n0.391823 0.391823 0.555968 Gd\n0.098627 0.098627 0.308250 N\n0.901373 0.901373 0.691750 N\n0.953258 0.953258 0.226448 Nd\n0.046742 0.046742 0.773552 Nd\n0.464211 0.464211 0.359467 O\n0.535789 0.535789 0.640533 O\n0.366365 0.366365 0.019238 S\n0.633635 0.633635 0.980762 S\n0.786514 0.786514 0.347234 Se\n0.213486 0.213486 0.652766 Se\n0.197131 0.197131 0.169635 Tb\n0.802869 0.802869 0.830365 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
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],
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"density": 6.781822766376918,
"density_atomic": 0.04753319079270342,
"volume": 294.5310375029372,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558208",
"created_at": "2022-09-04T15:55:41.640405Z",
"updated_at": "2022-09-04T15:55:41.640429Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.625219 -1.956201 0.000000\n7.625219 1.956201 0.000000\n-1.519997 0.000000 9.706989\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.951018 0.951018 0.249180 Dy\n0.048982 0.048982 0.750820 Dy\n0.609941 0.609941 0.449012 Ho\n0.390059 0.390059 0.550988 Ho\n0.096030 0.096030 0.320872 N\n0.903970 0.903970 0.679128 N\n0.198906 0.198906 0.179351 Nd\n0.801094 0.801094 0.820649 Nd\n0.461745 0.461745 0.365249 O\n0.538255 0.538255 0.634751 O\n0.787514 0.787514 0.356231 S\n0.212486 0.212486 0.643769 S\n0.375792 0.375792 0.033176 Se\n0.624208 0.624208 0.966824 Se\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558473",
"created_at": "2022-09-04T15:55:42.195946Z",
"updated_at": "2022-09-04T15:55:42.195984Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.753740 -1.928535 0.000000\n7.753740 1.928535 0.000000\n-1.599964 0.000000 9.533040\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.190341 0.190341 0.163726 Gd\n0.809659 0.809659 0.836274 Gd\n0.947218 0.947218 0.238573 Ho\n0.052782 0.052782 0.761427 Ho\n0.091233 0.091233 0.301369 N\n0.908767 0.908767 0.698631 N\n0.460037 0.460037 0.360760 O\n0.539963 0.539963 0.639240 O\n0.367410 0.367410 0.035990 S\n0.632590 0.632590 0.964010 S\n0.784049 0.784049 0.349954 Se\n0.215951 0.215951 0.650046 Se\n0.606904 0.606904 0.440769 Tb\n0.393096 0.393096 0.559231 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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],
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"density": 7.247108996328894,
"density_atomic": 0.04910524312174305,
"volume": 285.1019384078971,
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.362499257962232,
"spacegroup": 12
},
{
"id": "oqmd-1558124",
"created_at": "2022-09-04T15:55:42.373222Z",
"updated_at": "2022-09-04T15:55:42.373242Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.876457 -1.954072 0.000000\n7.876457 1.954072 0.000000\n-1.577291 0.000000 9.646629\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.949102 0.949102 0.232192 Gd\n0.050898 0.050898 0.767808 Gd\n0.093450 0.093450 0.294652 N\n0.906550 0.906550 0.705348 N\n0.609986 0.609986 0.441487 Nd\n0.390014 0.390014 0.558513 Nd\n0.461161 0.461161 0.355874 O\n0.538839 0.538839 0.644126 O\n0.364842 0.364842 0.031294 S\n0.635158 0.635158 0.968706 S\n0.784537 0.784537 0.341566 Se\n0.215463 0.215463 0.658434 Se\n0.191783 0.191783 0.161705 Tb\n0.808217 0.808217 0.838295 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.726675275723453,
"density_atomic": 0.04714666695018042,
"volume": 296.9456995718003,
"volume_molar": 12.773205720700377,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3166136946288987,
"spacegroup": 12
},
{
"id": "oqmd-1558151",
"created_at": "2022-09-04T15:55:42.525651Z",
"updated_at": "2022-09-04T15:55:42.525682Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.647497 -1.961858 0.000000\n7.647497 1.961858 0.000000\n-1.617246 0.000000 9.768085\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050681 0.050681 0.249925 Dy\n0.949319 0.949319 0.750075 Dy\n0.905149 0.905149 0.182109 N\n0.094851 0.094851 0.817891 N\n0.803281 0.803281 0.322951 Nd\n0.196719 0.196719 0.677049 Nd\n0.539341 0.539341 0.135007 O\n0.460659 0.460659 0.864993 O\n0.213844 0.213844 0.146365 S\n0.786156 0.786156 0.853635 S\n0.625365 0.625365 0.464105 Se\n0.374635 0.374635 0.535895 Se\n0.389219 0.389219 0.051642 Tb\n0.610781 0.610781 0.948358 Tb\n",
"nsites": 14,
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"elements": [
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"S",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
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"volume": 293.10708127944514,
"volume_molar": 12.608086437268426,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3454625302241365,
"spacegroup": 12
}
]
}