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{
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"results": [
{
"id": "oqmd-1557593",
"created_at": "2022-09-04T15:55:50.231204Z",
"updated_at": "2022-09-04T15:55:50.231216Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.541725 -1.931040 0.000000\n7.541725 1.931040 0.000000\n-1.261895 0.000000 9.456732\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.611085 0.611085 0.447851 Er\n0.388915 0.388915 0.552149 Er\n0.953994 0.953994 0.237409 Gd\n0.046006 0.046006 0.762591 Gd\n0.203109 0.203109 0.183437 Ho\n0.796891 0.796891 0.816563 Ho\n0.100319 0.100319 0.317896 N\n0.899681 0.899681 0.682104 N\n0.463110 0.463110 0.361837 O\n0.536890 0.536890 0.638163 O\n0.787250 0.787250 0.350776 S\n0.212750 0.212750 0.649224 S\n0.370113 0.370113 0.019533 Se\n0.629887 0.629887 0.980467 Se\n",
"nsites": 14,
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"density_atomic": 0.050827060797607064,
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"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557409",
"created_at": "2022-09-04T15:55:49.628849Z",
"updated_at": "2022-09-04T15:55:49.628869Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.568288 -1.933739 0.000000\n7.568288 1.933739 0.000000\n-1.329395 0.000000 9.491964\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.797967 0.797967 0.319161 Er\n0.202033 0.202033 0.680839 Er\n0.900258 0.900258 0.186686 N\n0.099742 0.099742 0.813314 N\n0.538037 0.538037 0.139983 O\n0.461963 0.461963 0.860017 O\n0.213284 0.213284 0.152477 S\n0.786716 0.786716 0.847523 S\n0.630686 0.630686 0.478500 Se\n0.369314 0.369314 0.521500 Se\n0.046620 0.046620 0.262218 Tb\n0.953380 0.953380 0.737782 Tb\n0.387499 0.387499 0.052595 Y\n0.612501 0.612501 0.947405 Y\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.050390242829621894,
"volume": 277.8315644823625,
"volume_molar": 11.95100563488431,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3810766564146126,
"spacegroup": 12
},
{
"id": "oqmd-1557529",
"created_at": "2022-09-04T15:55:49.559351Z",
"updated_at": "2022-09-04T15:55:49.559376Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.670158 -1.907344 0.000000\n7.670158 1.907344 0.000000\n-1.523135 0.000000 9.408911\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393891 0.393891 0.059801 Er\n0.606109 0.606109 0.940199 Er\n0.052691 0.052691 0.263584 Ho\n0.947309 0.947309 0.736416 Ho\n0.908004 0.908004 0.196700 N\n0.091996 0.091996 0.803300 N\n0.540057 0.540057 0.138468 O\n0.459943 0.459943 0.861532 O\n0.633453 0.633453 0.467120 S\n0.366547 0.366547 0.532880 S\n0.215338 0.215338 0.148125 Se\n0.784662 0.784662 0.851875 Se\n0.807702 0.807702 0.333608 Y\n0.192298 0.192298 0.666392 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.781258204961423,
"density_atomic": 0.050854026121224825,
"volume": 275.2977702616323,
"volume_molar": 11.842013738783514,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4670904683669925,
"spacegroup": 12
},
{
"id": "oqmd-1557682",
"created_at": "2022-09-04T15:55:39.543840Z",
"updated_at": "2022-09-04T15:55:39.543860Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.565408 -1.933068 0.000000\n7.565408 1.933068 0.000000\n-1.568779 0.000000 9.593656\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050466 0.050466 0.253669 Er\n0.949534 0.949534 0.746331 Er\n0.802361 0.802361 0.322183 Gd\n0.197639 0.197639 0.677817 Gd\n0.904653 0.904653 0.187778 N\n0.095347 0.095347 0.812222 N\n0.540239 0.540239 0.137776 O\n0.459761 0.459761 0.862224 O\n0.214408 0.214408 0.148756 S\n0.785592 0.785592 0.851244 S\n0.628162 0.628162 0.468152 Se\n0.371838 0.371838 0.531848 Se\n0.388628 0.388628 0.053512 Y\n0.611372 0.611372 0.946488 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.562127814009377,
"density_atomic": 0.0498924019127789,
"volume": 280.60384874784296,
"volume_molar": 12.070256249694715,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb"
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"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.249725876040528,
"density_atomic": 0.04931562161151067,
"volume": 283.8857048236473,
"volume_molar": 12.211426244284395,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3822478348669938,
"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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"N",
"Nd",
"O",
"S",
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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-1558176",
"created_at": "2022-09-04T15:55:41.950101Z",
"updated_at": "2022-09-04T15:55:41.950125Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.682999 -1.959389 0.000000\n7.682999 1.959389 0.000000\n-1.562203 0.000000 9.724921\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198431 0.198431 0.173199 Gd\n0.801569 0.801569 0.826801 Gd\n0.952469 0.952469 0.242109 Ho\n0.047531 0.047531 0.757891 Ho\n0.097264 0.097264 0.306184 N\n0.902736 0.902736 0.693816 N\n0.614677 0.614677 0.448254 Nd\n0.385323 0.385323 0.551746 Nd\n0.461886 0.461886 0.356975 O\n0.538114 0.538114 0.643025 O\n0.786973 0.786973 0.340713 S\n0.213027 0.213027 0.659287 S\n0.371877 0.371877 0.030632 Se\n0.628123 0.628123 0.969368 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"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",
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"elements": [
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],
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"volume": 289.7526474082867,
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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-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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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"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,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558150",
"created_at": "2022-09-04T15:55:42.288460Z",
"updated_at": "2022-09-04T15:55:42.288484Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.827953 -1.962572 0.000000\n7.827953 1.962572 0.000000\n-1.230632 0.000000 9.536796\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.197697 0.197697 0.170278 Dy\n0.802303 0.802303 0.829722 Dy\n0.608197 0.608197 0.443541 Gd\n0.391803 0.391803 0.556459 Gd\n0.098813 0.098813 0.306897 N\n0.901187 0.901187 0.693103 N\n0.953247 0.953247 0.225150 Nd\n0.046753 0.046753 0.774850 Nd\n0.464009 0.464009 0.358877 O\n0.535991 0.535991 0.641123 O\n0.365101 0.365101 0.018323 S\n0.634899 0.634899 0.981677 S\n0.786466 0.786466 0.347523 Se\n0.213534 0.213534 0.652477 Se\n",
"nsites": 14,
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"elements": [
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],
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"volume": 293.02609423704155,
"volume_molar": 12.604602756060638,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558122",
"created_at": "2022-09-04T15:55:42.372094Z",
"updated_at": "2022-09-04T15:55:42.372118Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.807200 -1.953878 0.000000\n7.807200 1.953878 0.000000\n-1.579526 0.000000 9.653801\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.053405 0.053405 0.258892 Gd\n0.946595 0.946595 0.741108 Gd\n0.395477 0.395477 0.057767 Ho\n0.604523 0.604523 0.942233 Ho\n0.908914 0.908914 0.189713 N\n0.091086 0.091086 0.810287 N\n0.809024 0.809024 0.332972 Nd\n0.190976 0.190976 0.667028 Nd\n0.539590 0.539590 0.135083 O\n0.460410 0.460410 0.864917 O\n0.630640 0.630640 0.462886 S\n0.369360 0.369360 0.537114 S\n0.215363 0.215363 0.142885 Se\n0.784637 0.784637 0.857115 Se\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 12.66904715040271,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}