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{
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"results": [
{
"id": "oqmd-1558219",
"created_at": "2022-09-04T15:55:42.116548Z",
"updated_at": "2022-09-04T15:55:42.116582Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.840178 -1.935789 0.000000\n7.840178 1.935789 0.000000\n-1.669872 0.000000 9.602109\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.810844 0.810844 0.340020 Dy\n0.189156 0.189156 0.659980 Dy\n0.051828 0.051828 0.265577 Ho\n0.948172 0.948172 0.734423 Ho\n0.908582 0.908582 0.207874 N\n0.091418 0.091418 0.792126 N\n0.390095 0.390095 0.058973 Nd\n0.609905 0.609905 0.941027 Nd\n0.539967 0.539967 0.145068 O\n0.460033 0.460033 0.854932 O\n0.634640 0.634640 0.465613 S\n0.365360 0.365360 0.534387 S\n0.216159 0.216159 0.160381 Se\n0.783841 0.783841 0.839619 Se\n",
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"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,
"nelements": 7,
"elements": [
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],
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3454625302241365,
"spacegroup": 12
},
{
"id": "oqmd-1557643",
"created_at": "2022-09-04T15:55:47.011075Z",
"updated_at": "2022-09-04T15:55:47.011100Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.710890 -1.911651 0.000000\n7.710890 1.911651 0.000000\n-1.507405 0.000000 9.390023\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.807226 0.807226 0.334811 Er\n0.192774 0.192774 0.665189 Er\n0.051147 0.051147 0.266478 Ho\n0.948853 0.948853 0.733522 Ho\n0.906821 0.906821 0.201263 N\n0.093179 0.093179 0.798737 N\n0.539564 0.539564 0.141591 O\n0.460436 0.460436 0.858409 O\n0.635044 0.635044 0.469625 S\n0.364956 0.364956 0.530375 S\n0.215141 0.215141 0.152010 Se\n0.784859 0.784859 0.847990 Se\n0.392430 0.392430 0.059727 Y\n0.607570 0.607570 0.940273 Y\n",
"nsites": 14,
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"elements": [
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"Se",
"Y"
],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.743777098350207,
"density_atomic": 0.05057294772588152,
"volume": 276.82784234535086,
"volume_molar": 11.907830234934224,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4587715397955634,
"spacegroup": 12
},
{
"id": "oqmd-1557151",
"created_at": "2022-09-04T15:55:45.954709Z",
"updated_at": "2022-09-04T15:55:45.954741Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.719566 -1.928248 0.000000\n7.719566 1.928248 0.000000\n-1.418997 0.000000 9.433768\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050437 0.050437 0.267414 Gd\n0.949563 0.949563 0.732586 Gd\n0.393581 0.393581 0.058823 Ho\n0.606419 0.606419 0.941177 Ho\n0.905388 0.905388 0.195024 N\n0.094612 0.094612 0.804976 N\n0.538191 0.538191 0.138821 O\n0.461809 0.461809 0.861179 O\n0.634665 0.634665 0.471528 S\n0.365335 0.365335 0.528472 S\n0.214589 0.214589 0.148391 Se\n0.785411 0.785411 0.851609 Se\n0.805046 0.805046 0.332033 Y\n0.194954 0.194954 0.667967 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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"Y"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Y",
"density": 6.5288916822410386,
"density_atomic": 0.049849071577828585,
"volume": 280.8477581802505,
"volume_molar": 12.080748084942213,
"formula_full": "Gd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.456043248724136,
"spacegroup": 12
},
{
"id": "oqmd-1558104",
"created_at": "2022-09-04T15:55:42.016277Z",
"updated_at": "2022-09-04T15:55:42.016305Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.681632 -1.960831 0.000000\n7.681632 1.960831 0.000000\n-1.505976 0.000000 9.701342\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.046963 0.046963 0.260475 Dy\n0.953037 0.953037 0.739525 Dy\n0.901774 0.901774 0.193494 N\n0.098226 0.098226 0.806506 N\n0.385286 0.385286 0.051631 Nd\n0.614714 0.614714 0.948369 Nd\n0.537803 0.537803 0.143937 O\n0.462197 0.462197 0.856063 O\n0.212837 0.212837 0.159708 S\n0.787163 0.787163 0.840292 S\n0.629187 0.629187 0.472640 Se\n0.370813 0.370813 0.527360 Se\n0.800489 0.800489 0.325286 Tb\n0.199511 0.199511 0.674714 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"N",
"Nd",
"O",
"S",
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"Tb"
],
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"density": 6.894400460604532,
"density_atomic": 0.04790408650416397,
"volume": 292.250641263832,
"volume_molar": 12.57124642065043,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3422075609384225,
"spacegroup": 12
},
{
"id": "oqmd-1557429",
"created_at": "2022-09-04T15:55:46.370468Z",
"updated_at": "2022-09-04T15:55:46.370488Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.764375 -1.944599 0.000000\n7.764375 1.944599 0.000000\n-1.576637 0.000000 9.610028\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.395238 0.395238 0.057416 Er\n0.604762 0.604762 0.942584 Er\n0.908546 0.908546 0.189350 N\n0.091454 0.091454 0.810650 N\n0.808539 0.808539 0.333396 Nd\n0.191461 0.191461 0.666604 Nd\n0.539706 0.539706 0.135288 O\n0.460294 0.460294 0.864712 O\n0.629306 0.629306 0.462389 S\n0.370694 0.370694 0.537611 S\n0.214690 0.214690 0.141712 Se\n0.785310 0.785310 0.858288 Se\n0.052964 0.052964 0.258406 Tb\n0.947036 0.947036 0.741594 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 6.99768074167027,
"density_atomic": 0.0482432798947986,
"volume": 290.1958579625807,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
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"formation_energy": -2.327854556414612,
"spacegroup": 12
},
{
"id": "oqmd-1557226",
"created_at": "2022-09-04T15:55:47.001911Z",
"updated_at": "2022-09-04T15:55:47.001928Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.713923 -1.924010 0.000000\n7.713923 1.924010 0.000000\n-1.507425 0.000000 9.454087\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.605912 0.605912 0.440660 Ho\n0.394088 0.394088 0.559340 Ho\n0.092826 0.092826 0.303926 N\n0.907174 0.907174 0.696074 N\n0.460297 0.460297 0.361826 O\n0.539703 0.539703 0.638174 O\n0.367391 0.367391 0.031039 S\n0.632609 0.632609 0.968961 S\n0.784736 0.784736 0.351482 Se\n0.215264 0.215264 0.648518 Se\n0.192281 0.192281 0.166674 Tb\n0.807719 0.807719 0.833326 Tb\n0.947715 0.947715 0.235366 Y\n0.052285 0.052285 0.764634 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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",
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"density": 7.2376737151905095,
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"volume": 281.145021228039,
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557534",
"created_at": "2022-09-04T15:55:46.684998Z",
"updated_at": "2022-09-04T15:55:46.685021Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.564899 -1.930415 0.000000\n7.564899 1.930415 0.000000\n-1.454703 0.000000 9.516710\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950836 0.950836 0.239991 Dy\n0.049164 0.049164 0.760009 Dy\n0.199697 0.199697 0.179909 Er\n0.800303 0.800303 0.820091 Er\n0.097511 0.097511 0.310824 N\n0.902489 0.902489 0.689176 N\n0.460965 0.460965 0.360875 O\n0.539035 0.539035 0.639125 O\n0.785446 0.785446 0.347550 S\n0.214554 0.214554 0.652450 S\n0.368388 0.368388 0.025131 Se\n0.631612 0.631612 0.974869 Se\n0.612061 0.612061 0.446532 Tb\n0.387939 0.387939 0.553468 Tb\n",
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"elements": [
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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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,
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"elements": [
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],
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"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-1557263",
"created_at": "2022-09-04T15:55:47.245133Z",
"updated_at": "2022-09-04T15:55:47.245154Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.644923 -1.966400 0.000000\n7.644923 1.966400 0.000000\n-1.601807 0.000000 9.741963\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.095274 0.095274 0.317445 N\n0.904726 0.904726 0.682555 N\n0.197945 0.197945 0.177913 Nd\n0.802055 0.802055 0.822087 Nd\n0.460696 0.460696 0.364350 O\n0.539304 0.539304 0.635650 O\n0.786531 0.786531 0.355007 S\n0.213469 0.213469 0.644993 S\n0.374702 0.374702 0.034113 Se\n0.625298 0.625298 0.965887 Se\n0.610647 0.610647 0.448441 Tb\n0.389353 0.389353 0.551559 Tb\n0.949333 0.949333 0.247997 Y\n0.050667 0.050667 0.752003 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "N-Nd-O-S-Se-Tb-Y",
"density": 6.044631445890674,
"density_atomic": 0.04779765422158274,
"volume": 292.90140338473736,
"volume_molar": 12.599239142745919,
"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3364951128431835,
"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,
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"elements": [
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.976364052228848,
"density_atomic": 0.048280189476243844,
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}