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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=13",
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"results": [
{
"id": "oqmd-1558065",
"created_at": "2022-09-04T15:55:41.997211Z",
"updated_at": "2022-09-04T15:55:41.997240Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.648648 -1.979706 0.000000\n7.648648 1.979706 0.000000\n-0.794298 0.000000 9.567799\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.789042 0.789042 0.315386 Gd\n0.210958 0.210958 0.684614 Gd\n0.892586 0.892586 0.174498 N\n0.107414 0.107414 0.825502 N\n0.035284 0.035284 0.272328 Nd\n0.964716 0.964716 0.727672 Nd\n0.531401 0.531401 0.142125 O\n0.468599 0.468599 0.857875 O\n0.207899 0.207899 0.153466 S\n0.792101 0.792101 0.846534 S\n0.624678 0.624678 0.495168 Se\n0.375322 0.375322 0.504832 Se\n0.386792 0.386792 0.047125 Tb\n0.613208 0.613208 0.952875 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
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],
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"density": 6.893663659015484,
"density_atomic": 0.04831707363236886,
"volume": 289.7526474082867,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557587",
"created_at": "2022-09-04T15:55:19.606982Z",
"updated_at": "2022-09-04T15:55:19.607010Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.703258 -1.919908 0.000000\n7.703258 1.919908 0.000000\n-1.500266 0.000000 9.429449\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051610 0.051610 0.264332 Dy\n0.948390 0.948390 0.735668 Dy\n0.394155 0.394155 0.059003 Er\n0.605845 0.605845 0.940997 Er\n0.906975 0.906975 0.195493 N\n0.093025 0.093025 0.804507 N\n0.539030 0.539030 0.138161 O\n0.460970 0.460970 0.861839 O\n0.632870 0.632870 0.468136 S\n0.367130 0.367130 0.531864 S\n0.214853 0.214853 0.147042 Se\n0.785147 0.785147 0.852958 Se\n0.806933 0.806933 0.332972 Tb\n0.193067 0.193067 0.667028 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Er",
"N",
"O",
"S",
"Se",
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],
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"density": 7.498117959947368,
"density_atomic": 0.050194584337805465,
"volume": 278.91455193215944,
"volume_molar": 11.997590655341385,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3709290659384226,
"spacegroup": 12
},
{
"id": "oqmd-1557700",
"created_at": "2022-09-04T15:55:39.848869Z",
"updated_at": "2022-09-04T15:55:39.848903Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.717689 -1.926707 0.000000\n7.717689 1.926707 0.000000\n-1.498058 0.000000 9.458199\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.394461 0.394461 0.058921 Er\n0.605539 0.605539 0.941079 Er\n0.806806 0.806806 0.332902 Gd\n0.193194 0.193194 0.667098 Gd\n0.906864 0.906864 0.194463 N\n0.093136 0.093136 0.805537 N\n0.538977 0.538977 0.137431 O\n0.461023 0.461023 0.862569 O\n0.632429 0.632429 0.467314 S\n0.367571 0.367571 0.532686 S\n0.214631 0.214631 0.146036 Se\n0.785369 0.785369 0.853964 Se\n0.051712 0.051712 0.263625 Y\n0.948288 0.948288 0.736375 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Gd",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Gd-N-O-S-Se-Y",
"density": 6.546315262903098,
"density_atomic": 0.04977217777551406,
"volume": 281.2816441977639,
"volume_molar": 12.099411818308367,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4513951311050874,
"spacegroup": 12
},
{
"id": "oqmd-1558229",
"created_at": "2022-09-04T15:55:39.734092Z",
"updated_at": "2022-09-04T15:55:39.734110Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.651757 -1.978403 0.000000\n7.651757 1.978403 0.000000\n-0.836081 0.000000 9.569984\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.613757 0.613757 0.452817 Gd\n0.386243 0.386243 0.547183 Gd\n0.107687 0.107687 0.323658 N\n0.892313 0.892313 0.676342 N\n0.964510 0.964510 0.227064 Nd\n0.035490 0.035490 0.772936 Nd\n0.468501 0.468501 0.356823 O\n0.531499 0.531499 0.643177 O\n0.792000 0.792000 0.344794 S\n0.208000 0.208000 0.655206 S\n0.373849 0.373849 0.005114 Se\n0.626151 0.626151 0.994886 Se\n0.210554 0.210554 0.184632 Tb\n0.789446 0.789446 0.815368 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.893826741903539,
"density_atomic": 0.04831821666578333,
"volume": 289.7457929136308,
"volume_molar": 12.463499639597822,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557696",
"created_at": "2022-09-04T15:55:37.871019Z",
"updated_at": "2022-09-04T15:55:37.871044Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.556201 -1.935614 0.000000\n7.556201 1.935614 0.000000\n-1.481505 0.000000 9.559146\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.050045 0.050045 0.255306 Dy\n0.949955 0.949955 0.744694 Dy\n0.389616 0.389616 0.052523 Er\n0.610384 0.610384 0.947477 Er\n0.800950 0.800950 0.319114 Gd\n0.199050 0.199050 0.680886 Gd\n0.903473 0.903473 0.182703 N\n0.096527 0.096527 0.817297 N\n0.539441 0.539441 0.135706 O\n0.460559 0.460559 0.864294 O\n0.214365 0.214365 0.145813 S\n0.785635 0.785635 0.854187 S\n0.628117 0.628117 0.471979 Se\n0.371883 0.371883 0.528021 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"Gd",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Gd-N-O-S-Se",
"density": 7.459249265494441,
"density_atomic": 0.05006759017358991,
"volume": 279.622006001496,
"volume_molar": 12.028021998104098,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.480061545628897,
"spacegroup": 12
},
{
"id": "oqmd-1557669",
"created_at": "2022-09-04T15:55:39.692362Z",
"updated_at": "2022-09-04T15:55:39.692374Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.551106 -1.932117 0.000000\n7.551106 1.932117 0.000000\n-1.442657 0.000000 9.526235\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950075 0.950075 0.243429 Dy\n0.049925 0.049925 0.756571 Dy\n0.610364 0.610364 0.446827 Er\n0.389636 0.389636 0.553173 Er\n0.096682 0.096682 0.316228 N\n0.903318 0.903318 0.683772 N\n0.460988 0.460988 0.363841 O\n0.539012 0.539012 0.636159 O\n0.785667 0.785667 0.353046 S\n0.214333 0.214333 0.646954 S\n0.370961 0.370961 0.027105 Se\n0.629039 0.629039 0.972895 Se\n0.199394 0.199394 0.181225 Tb\n0.800606 0.800606 0.818775 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Er",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.52364277538568,
"density_atomic": 0.05036545488266339,
"volume": 277.96830253227847,
"volume_molar": 11.956887461911753,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.391319468795565,
"spacegroup": 12
},
{
"id": "oqmd-1557692",
"created_at": "2022-09-04T15:55:37.672546Z",
"updated_at": "2022-09-04T15:55:37.672565Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.558964 -1.932118 0.000000\n7.558964 1.932118 0.000000\n-1.578969 0.000000 9.581831\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.388805 0.388805 0.053169 Dy\n0.611195 0.611195 0.946831 Dy\n0.050857 0.050857 0.253640 Er\n0.949143 0.949143 0.746360 Er\n0.802071 0.802071 0.321570 Gd\n0.197929 0.197929 0.678430 Gd\n0.904768 0.904768 0.186927 N\n0.095232 0.095232 0.813073 N\n0.540155 0.540155 0.136765 O\n0.459845 0.459845 0.863235 O\n0.214103 0.214103 0.147449 S\n0.785897 0.785897 0.852551 S\n0.628359 0.628359 0.468245 Se\n0.371641 0.371641 0.531755 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Er",
"Gd",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Gd-N-O-S-Se",
"density": 7.4523293737457905,
"density_atomic": 0.050021142831265554,
"volume": 279.8816501899142,
"volume_molar": 12.039190668462455,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.480364760628897,
"spacegroup": 12
},
{
"id": "oqmd-1557910",
"created_at": "2022-09-04T15:55:41.784508Z",
"updated_at": "2022-09-04T15:55:41.784529Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.566162 -1.931348 0.000000\n7.566162 1.931348 0.000000\n-1.511299 0.000000 9.552472\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.611369 0.611369 0.446797 Dy\n0.388631 0.388631 0.553203 Dy\n0.950381 0.950381 0.244008 Ho\n0.049619 0.049619 0.755992 Ho\n0.096638 0.096638 0.313365 N\n0.903362 0.903362 0.686635 N\n0.460876 0.460876 0.362400 O\n0.539124 0.539124 0.637600 O\n0.786080 0.786080 0.351162 S\n0.213920 0.213920 0.648838 S\n0.370858 0.370858 0.028882 Se\n0.629142 0.629142 0.971118 Se\n0.199144 0.199144 0.179282 Tb\n0.800856 0.800856 0.820718 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.46332768878795,
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"volume": 279.1784804030701,
"volume_molar": 12.008943615358499,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3901218971288976,
"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,
"nelements": 7,
"elements": [
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"Nd",
"O",
"S",
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],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"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",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.337714038914613,
"spacegroup": 12
},
{
"id": "oqmd-1558406",
"created_at": "2022-09-04T15:55:43.853775Z",
"updated_at": "2022-09-04T15:55:43.853800Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.605104 -1.949269 0.000000\n7.605104 1.949269 0.000000\n-1.304955 0.000000 9.568887\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.388350 0.388350 0.051684 Dy\n0.611650 0.611650 0.948316 Dy\n0.046365 0.046365 0.260241 Gd\n0.953635 0.953635 0.739759 Gd\n0.900598 0.900598 0.182885 N\n0.099402 0.099402 0.817115 N\n0.537149 0.537149 0.138026 O\n0.462851 0.462851 0.861974 O\n0.212856 0.212856 0.149776 S\n0.787144 0.787144 0.850224 S\n0.628782 0.628782 0.477693 Se\n0.371218 0.371218 0.522307 Se\n0.797805 0.797805 0.318341 Tb\n0.202195 0.202195 0.681659 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.254320755700031,
"density_atomic": 0.049346877875611275,
"volume": 283.7058918963387,
"volume_molar": 12.203691538864964,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.381335808438422,
"spacegroup": 12
},
{
"id": "oqmd-111751",
"created_at": "2022-09-04T15:18:05.346427Z",
"updated_at": "2022-09-04T15:18:05.346450Z",
"structure_string": "K6 H4 Os2 C8 S2 N8 O6\n1.0\n7.914680 0.008166 0.013756\n1.294770 8.671373 0.053937\n3.929148 0.386036 7.991015\nC H K N O Os S\n8 4 6 8 6 2 2\ndirect\n0.413346 0.133086 0.263145 C\n0.705477 0.280708 0.265302 C\n0.420217 0.784481 0.385192 C\n0.687686 0.653455 0.497270 C\n0.312314 0.346545 0.502729 C\n0.579783 0.215517 0.614808 C\n0.294521 0.719291 0.734699 C\n0.586654 0.866913 0.736854 C\n0.258667 0.541068 0.236641 H\n0.045723 0.542844 0.277289 H\n0.954277 0.457155 0.722711 H\n0.741333 0.458931 0.763360 H\n0.766471 0.649896 0.063185 K\n0.228385 0.876163 0.071333 K\n0.992623 0.248281 0.419666 K\n0.007377 0.751718 0.580335 K\n0.771614 0.123836 0.928668 K\n0.233529 0.350104 0.936815 K\n0.356624 0.136760 0.160326 N\n0.837153 0.337959 0.161431 N\n0.381496 0.738400 0.286127 N\n0.814503 0.554214 0.451782 N\n0.185497 0.445784 0.548219 N\n0.618505 0.261599 0.713872 N\n0.162849 0.662042 0.838569 N\n0.643376 0.863241 0.839675 N\n0.815901 0.910386 0.168080 O\n0.175551 0.528976 0.184853 O\n0.921685 0.965810 0.373113 O\n0.078314 0.034191 0.626886 O\n0.824451 0.471025 0.815146 O\n0.184100 0.089615 0.831920 O\n0.503306 0.159874 0.440463 Os\n0.496694 0.840127 0.559538 Os\n0.752107 0.957346 0.342672 S\n0.247893 0.042653 0.657328 S\n",
"nsites": 36,
"nelements": 7,
"elements": [
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"H",
"K",
"N",
"O",
"Os",
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],
"chemical_system": "C-H-K-N-O-Os-S",
"density": 2.993352757345537,
"density_atomic": 0.0657266386010312,
"volume": 547.723126668997,
"volume_molar": 9.16240490641114,
"formula_full": "K6 H4 Os2 C8 S2 N8 O6",
"formula_reduced": "K3H2OsC4SN4O3",
"formula_anonymous": "ABC2D3E3F4G4",
"formation_energy": -0.758765812077333,
"spacegroup": 2
},
{
"id": "oqmd-1558468",
"created_at": "2022-09-04T15:55:43.671412Z",
"updated_at": "2022-09-04T15:55:43.671435Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.606582 -1.944091 0.000000\n7.606582 1.944091 0.000000\n-1.355676 0.000000 9.567290\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.387091 0.387091 0.052234 Gd\n0.612909 0.612909 0.947766 Gd\n0.798779 0.798779 0.320521 Ho\n0.201221 0.201221 0.679479 Ho\n0.900588 0.900588 0.187560 N\n0.099412 0.099412 0.812440 N\n0.537546 0.537546 0.140084 O\n0.462454 0.462454 0.859916 O\n0.213243 0.213243 0.154488 S\n0.786757 0.786757 0.845512 S\n0.630208 0.630208 0.476857 Se\n0.369792 0.369792 0.523143 Se\n0.046599 0.046599 0.261195 Tb\n0.953401 0.953401 0.738805 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.301967373520987,
"density_atomic": 0.0494769546484562,
"volume": 282.96001844642296,
"volume_molar": 12.17160757526111,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3841184558193738,
"spacegroup": 12
}
]
}