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{
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"results": [
{
"id": "oqmd-1558467",
"created_at": "2022-09-04T15:55:42.155645Z",
"updated_at": "2022-09-04T15:55:42.155678Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.613890 -1.949891 0.000000\n7.613890 1.949891 0.000000\n-1.305880 0.000000 9.560852\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202593 0.202593 0.181624 Dy\n0.797407 0.797407 0.818376 Dy\n0.954239 0.954239 0.237880 Gd\n0.045761 0.045761 0.762120 Gd\n0.099995 0.099995 0.315599 N\n0.900005 0.900005 0.684401 N\n0.463218 0.463218 0.360538 O\n0.536782 0.536782 0.639462 O\n0.787322 0.787322 0.348408 S\n0.212678 0.212678 0.651592 S\n0.370403 0.370403 0.021038 Se\n0.629597 0.629597 0.978962 Se\n0.612198 0.612198 0.448621 Tb\n0.387802 0.387802 0.551379 Tb\n",
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"nelements": 7,
"elements": [
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"density_atomic": 0.04931562161151067,
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558123",
"created_at": "2022-09-04T15:55:42.206335Z",
"updated_at": "2022-09-04T15:55:42.206359Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.579244 -1.962250 0.000000\n7.579244 1.962250 0.000000\n-0.496209 0.000000 9.451923\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.385596 0.385596 0.044529 Dy\n0.614404 0.614404 0.955471 Dy\n0.784941 0.784941 0.313975 Ho\n0.215059 0.215059 0.686025 Ho\n0.887782 0.887782 0.170764 N\n0.112218 0.112218 0.829236 N\n0.027334 0.027334 0.277273 Nd\n0.972666 0.972666 0.722727 Nd\n0.527793 0.527793 0.144486 O\n0.472207 0.472207 0.855514 O\n0.204837 0.204837 0.158746 S\n0.795163 0.795163 0.841254 S\n0.376756 0.376756 0.495519 Se\n0.623244 0.623244 0.504481 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.2376737151905095,
"density_atomic": 0.04979636466208123,
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"volume_molar": 12.09353494148885,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"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-1558060",
"created_at": "2022-09-04T15:55:41.820232Z",
"updated_at": "2022-09-04T15:55:41.820260Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.575757 -1.964747 0.000000\n7.575757 1.964747 0.000000\n-0.480306 0.000000 9.440068\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.784833 0.784833 0.313389 Dy\n0.215167 0.215167 0.686611 Dy\n0.386605 0.386605 0.045202 Ho\n0.613395 0.613395 0.954798 Ho\n0.888888 0.888888 0.169633 N\n0.111112 0.111112 0.830367 N\n0.028361 0.028361 0.277376 Nd\n0.971639 0.971639 0.722624 Nd\n0.528517 0.528517 0.144225 O\n0.471483 0.471483 0.855775 O\n0.205406 0.205406 0.155834 S\n0.794594 0.794594 0.844166 S\n0.377590 0.377590 0.495407 Se\n0.622410 0.622410 0.504593 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
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"S",
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],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 7.240884318416956,
"density_atomic": 0.04981845413106543,
"volume": 281.0203617151176,
"volume_molar": 12.08817267624681,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558190",
"created_at": "2022-09-04T15:55:41.979847Z",
"updated_at": "2022-09-04T15:55:41.979870Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.628521 -1.973203 0.000000\n7.628521 1.973203 0.000000\n-0.719998 0.000000 9.537404\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.212260 0.212260 0.184208 Dy\n0.787740 0.787740 0.815792 Dy\n0.614624 0.614624 0.453762 Gd\n0.385376 0.385376 0.546238 Gd\n0.109860 0.109860 0.324574 N\n0.890140 0.890140 0.675426 N\n0.967753 0.967753 0.225128 Nd\n0.032247 0.032247 0.774872 Nd\n0.470060 0.470060 0.355722 O\n0.529940 0.529940 0.644278 O\n0.793203 0.793203 0.341996 S\n0.206797 0.206797 0.658004 S\n0.374883 0.374883 0.001837 Se\n0.625117 0.625117 0.998163 Se\n",
"nsites": 14,
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"elements": [
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"Gd",
"N",
"Nd",
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"S",
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],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.998077717154164,
"density_atomic": 0.04875910746826029,
"volume": 287.1258463685639,
"volume_molar": 12.350801876183048,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4436312020574684,
"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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"Nd",
"O",
"S",
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],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 6.918281840681907,
"density_atomic": 0.0480102769911729,
"volume": 291.6042330389808,
"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
},
{
"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,
"nelements": 7,
"elements": [
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"Nd",
"O",
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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",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.321683866771756,
"spacegroup": 12
},
{
"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,
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"elements": [
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"density": 6.893663659015484,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557994",
"created_at": "2022-09-04T15:55:41.219897Z",
"updated_at": "2022-09-04T15:55:41.219920Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.716538 -1.919493 0.000000\n7.716538 1.919493 0.000000\n-1.495151 0.000000 9.426585\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.949756 0.949756 0.232903 Dy\n0.050244 0.050244 0.767097 Dy\n0.193272 0.193272 0.165481 Ho\n0.806728 0.806728 0.834519 Ho\n0.094099 0.094099 0.300416 N\n0.905901 0.905901 0.699584 N\n0.461542 0.461542 0.358649 O\n0.538458 0.538458 0.641351 O\n0.365912 0.365912 0.029667 S\n0.634088 0.634088 0.970333 S\n0.785401 0.785401 0.347175 Se\n0.214599 0.214599 0.652825 Se\n0.607762 0.607762 0.441335 Tb\n0.392238 0.392238 0.558665 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.461412217479095,
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"volume": 279.2501502631013,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557769",
"created_at": "2022-09-04T15:55:40.802103Z",
"updated_at": "2022-09-04T15:55:40.802124Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.582723 -1.946767 0.000000\n7.582723 1.946767 0.000000\n-1.671490 0.000000 9.736686\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051881 0.051881 0.247995 Er\n0.948119 0.948119 0.752005 Er\n0.390478 0.390478 0.052361 Ho\n0.609522 0.609522 0.947639 Ho\n0.906374 0.906374 0.181471 N\n0.093626 0.093626 0.818529 N\n0.803771 0.803771 0.322251 Nd\n0.196229 0.196229 0.677749 Nd\n0.540013 0.540013 0.133776 O\n0.459987 0.459987 0.866224 O\n0.213759 0.213759 0.143502 S\n0.786241 0.786241 0.856498 S\n0.624541 0.624541 0.461992 Se\n0.375459 0.375459 0.538008 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
"S",
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],
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"density": 7.133608915692012,
"density_atomic": 0.04870210226292627,
"volume": 287.46192360277814,
"volume_molar": 12.365258336259261,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.446823210509849,
"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,
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"elements": [
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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-1557714",
"created_at": "2022-09-04T15:55:41.050656Z",
"updated_at": "2022-09-04T15:55:41.050679Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716132 -1.927614 0.000000\n7.716132 1.927614 0.000000\n-1.398056 0.000000 9.431652\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393957 0.393957 0.059113 Er\n0.606043 0.606043 0.940887 Er\n0.050997 0.050997 0.266644 Gd\n0.949003 0.949003 0.733356 Gd\n0.905631 0.905631 0.194203 N\n0.094369 0.094369 0.805797 N\n0.538514 0.538514 0.137801 O\n0.461486 0.461486 0.862199 O\n0.634963 0.634963 0.471065 S\n0.365037 0.365037 0.528935 S\n0.214957 0.214957 0.146945 Se\n0.785043 0.785043 0.853055 Se\n0.805195 0.805195 0.331531 Y\n0.194805 0.194805 0.668469 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"S",
"Se",
"Y"
],
"chemical_system": "Er-Gd-N-O-S-Se-Y",
"density": 6.562976124838782,
"density_atomic": 0.04989885169035825,
"volume": 280.5675787265694,
"volume_molar": 12.068696084169876,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.457823122533658,
"spacegroup": 12
}
]
}