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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-elements&page=6",
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"results": [
{
"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",
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],
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"density": 7.120657424954734,
"density_atomic": 0.049278777182277675,
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"volume_molar": 12.220556402454255,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.354200194033659,
"spacegroup": 12
},
{
"id": "oqmd-1558168",
"created_at": "2022-09-04T15:55:41.814057Z",
"updated_at": "2022-09-04T15:55:41.814077Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.792035 -1.958700 0.000000\n7.792035 1.958700 0.000000\n-1.164773 0.000000 9.499708\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606436 0.606436 0.443439 Ho\n0.393564 0.393564 0.556561 Ho\n0.098630 0.098630 0.312059 N\n0.901370 0.901370 0.687941 N\n0.953200 0.953200 0.226800 Nd\n0.046800 0.046800 0.773200 Nd\n0.464158 0.464158 0.361544 O\n0.535842 0.535842 0.638456 O\n0.366615 0.366615 0.018430 S\n0.633385 0.633385 0.981570 S\n0.786586 0.786586 0.351056 Se\n0.213414 0.213414 0.648944 Se\n0.197951 0.197951 0.172081 Tb\n0.802049 0.802049 0.827919 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.976364052228848,
"density_atomic": 0.048280189476243844,
"volume": 289.97400697627063,
"volume_molar": 12.473316333945169,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3290305118908026,
"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": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.958263908361507,
"density_atomic": 0.048154926750715164,
"volume": 290.7283001898052,
"volume_molar": 12.50576247613244,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.345229732605088,
"spacegroup": 12
},
{
"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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"N",
"Nd",
"O",
"S",
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],
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"density": 7.1444799471322815,
"density_atomic": 0.04944364184185153,
"volume": 283.1506636339581,
"volume_molar": 12.179808233507922,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3563774597479443,
"spacegroup": 12
},
{
"id": "oqmd-1558221",
"created_at": "2022-09-04T15:55:42.466619Z",
"updated_at": "2022-09-04T15:55:42.466632Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.850044 -1.942095 0.000000\n7.850044 1.942095 0.000000\n-1.576348 0.000000 9.588891\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808521 0.808521 0.338487 Ho\n0.191479 0.191479 0.661513 Ho\n0.906414 0.906414 0.206963 N\n0.093586 0.093586 0.793037 N\n0.389635 0.389635 0.058611 Nd\n0.610365 0.610365 0.941389 Nd\n0.538913 0.538913 0.145394 O\n0.461087 0.461087 0.854606 O\n0.635460 0.635460 0.469954 S\n0.364540 0.364540 0.530046 S\n0.215455 0.215455 0.160659 Se\n0.784545 0.784545 0.839341 Se\n0.050415 0.050415 0.268826 Tb\n0.949585 0.949585 0.731174 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.919062709248369,
"density_atomic": 0.04788363337974012,
"volume": 292.37547386960597,
"volume_molar": 12.576616131531921,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3237719683193734,
"spacegroup": 12
},
{
"id": "oqmd-1558121",
"created_at": "2022-09-04T15:55:39.396650Z",
"updated_at": "2022-09-04T15:55:39.396666Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.641112 -1.961051 0.000000\n7.641112 1.961051 0.000000\n-1.473355 0.000000 9.706875\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.609834 0.609834 0.449126 Ho\n0.390166 0.390166 0.550874 Ho\n0.096637 0.096637 0.321537 N\n0.903363 0.903363 0.678463 N\n0.199822 0.199822 0.180176 Nd\n0.800178 0.800178 0.819824 Nd\n0.462181 0.462181 0.365123 O\n0.537819 0.537819 0.634877 O\n0.787726 0.787726 0.356242 S\n0.212274 0.212274 0.643758 S\n0.375463 0.375463 0.031153 Se\n0.624537 0.624537 0.968847 Se\n0.951558 0.951558 0.247543 Tb\n0.048442 0.048442 0.752457 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.953978106407343,
"density_atomic": 0.04812526669730402,
"volume": 290.9074787690326,
"volume_molar": 12.513469894884471,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.345437426890802,
"spacegroup": 12
},
{
"id": "oqmd-1557136",
"created_at": "2022-09-04T15:55:46.908868Z",
"updated_at": "2022-09-04T15:55:46.908894Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.752882 -1.932678 0.000000\n7.752882 1.932678 0.000000\n-1.478996 0.000000 9.482197\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.608128 0.608128 0.441607 Gd\n0.391872 0.391872 0.558393 Gd\n0.094137 0.094137 0.300529 N\n0.905863 0.905863 0.699471 N\n0.461675 0.461675 0.358434 O\n0.538325 0.538325 0.641566 O\n0.365190 0.365190 0.030380 S\n0.634810 0.634810 0.969620 S\n0.785632 0.785632 0.348161 Se\n0.214368 0.214368 0.651839 Se\n0.949725 0.949725 0.232750 Tb\n0.050275 0.050275 0.767250 Tb\n0.194134 0.194134 0.165317 Y\n0.805866 0.805866 0.834683 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "Gd-N-O-S-Se-Tb-Y",
"density": 6.382626113721922,
"density_atomic": 0.04926816521436661,
"volume": 284.1591510275604,
"volume_molar": 12.223188612357626,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.356553202486041,
"spacegroup": 12
},
{
"id": "oqmd-1557322",
"created_at": "2022-09-04T15:55:47.427404Z",
"updated_at": "2022-09-04T15:55:47.427418Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.747277 -1.931001 0.000000\n7.747277 1.931001 0.000000\n-1.545141 0.000000 9.499616\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.607560 0.607560 0.440944 Gd\n0.392440 0.392440 0.559056 Gd\n0.092969 0.092969 0.299903 N\n0.907031 0.907031 0.700097 N\n0.460555 0.460555 0.359553 O\n0.539445 0.539445 0.640447 O\n0.366825 0.366825 0.032084 S\n0.633175 0.633175 0.967916 S\n0.784848 0.784848 0.347676 Se\n0.215152 0.215152 0.652324 Se\n0.192105 0.192105 0.164294 Tb\n0.807895 0.807895 0.835706 Tb\n0.948309 0.948309 0.234538 Y\n0.051691 0.051691 0.765462 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.381068730739801,
"density_atomic": 0.0492561436106101,
"volume": 284.2285037715439,
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.350139467486041,
"spacegroup": 12
},
{
"id": "oqmd-1557321",
"created_at": "2022-09-04T15:55:48.252527Z",
"updated_at": "2022-09-04T15:55:48.252552Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.594580 -1.945506 0.000000\n7.594580 1.945506 0.000000\n-1.507307 0.000000 9.589560\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.199074 0.199074 0.179368 Gd\n0.800926 0.800926 0.820632 Gd\n0.097078 0.097078 0.313928 N\n0.902922 0.902922 0.686072 N\n0.461147 0.461147 0.362200 O\n0.538853 0.538853 0.637800 O\n0.785897 0.785897 0.350294 S\n0.214103 0.214103 0.649706 S\n0.371492 0.371492 0.028054 Se\n0.628508 0.628508 0.971946 Se\n0.611341 0.611341 0.447446 Tb\n0.388659 0.388659 0.552554 Tb\n0.950505 0.950505 0.242816 Y\n0.049495 0.049495 0.757184 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
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"formation_energy": -2.370685310343184,
"spacegroup": 12
},
{
"id": "oqmd-1557290",
"created_at": "2022-09-04T15:55:48.108425Z",
"updated_at": "2022-09-04T15:55:48.108453Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.745155 -1.932656 0.000000\n7.745155 1.932656 0.000000\n-1.509343 0.000000 9.496864\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.192609 0.192609 0.165834 Gd\n0.807391 0.807391 0.834166 Gd\n0.093115 0.093115 0.303470 N\n0.906885 0.906885 0.696530 N\n0.460496 0.460496 0.360480 O\n0.539504 0.539504 0.639520 O\n0.367467 0.367467 0.031501 S\n0.632533 0.632533 0.968499 S\n0.785012 0.785012 0.351230 Se\n0.214988 0.214988 0.648770 Se\n0.948449 0.948449 0.235615 Tb\n0.051551 0.051551 0.764385 Tb\n0.607035 0.607035 0.441409 Y\n0.392965 0.392965 0.558591 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.379199203087426,
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"volume": 284.31180153831326,
"volume_molar": 12.229754918520765,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.347957066057469,
"spacegroup": 12
},
{
"id": "oqmd-1557335",
"created_at": "2022-09-04T15:55:49.234890Z",
"updated_at": "2022-09-04T15:55:49.234911Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.749329 -1.934025 0.000000\n7.749329 1.934025 0.000000\n-1.432204 0.000000 9.473532\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.949821 0.949821 0.232319 Gd\n0.050179 0.050179 0.767681 Gd\n0.094769 0.094769 0.302670 N\n0.905231 0.905231 0.697330 N\n0.461932 0.461932 0.359779 O\n0.538068 0.538068 0.640221 O\n0.364866 0.364866 0.029025 S\n0.635134 0.635134 0.970975 S\n0.785543 0.785543 0.349665 Se\n0.214457 0.214457 0.650335 Se\n0.607667 0.607667 0.441585 Tb\n0.392333 0.392333 0.558415 Tb\n0.194824 0.194824 0.166614 Y\n0.805176 0.805176 0.833386 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-O-S-Se-Tb-Y",
"density": 6.386941615523507,
"density_atomic": 0.049301477028650446,
"volume": 283.96715156960136,
"volume_molar": 12.214929699774244,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3571951260574693,
"spacegroup": 12
},
{
"id": "oqmd-1557135",
"created_at": "2022-09-04T15:55:48.608836Z",
"updated_at": "2022-09-04T15:55:48.608863Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.740690 -1.932307 0.000000\n7.740690 1.932307 0.000000\n-1.549421 0.000000 9.504775\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.191769 0.191769 0.164876 Gd\n0.808231 0.808231 0.835124 Gd\n0.092481 0.092481 0.302166 N\n0.907519 0.907519 0.697834 N\n0.460448 0.460448 0.360861 O\n0.539552 0.539552 0.639139 O\n0.367760 0.367760 0.033043 S\n0.632240 0.632240 0.966957 S\n0.784765 0.784765 0.349913 Se\n0.215235 0.215235 0.650087 Se\n0.606826 0.606826 0.441078 Tb\n0.393174 0.393174 0.558922 Tb\n0.947861 0.947861 0.236073 Y\n0.052139 0.052139 0.763927 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.35048276105747,
"spacegroup": 12
}
]
}