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{
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"results": [
{
"id": "oqmd-1558383",
"created_at": "2022-09-04T15:55:42.619581Z",
"updated_at": "2022-09-04T15:55:42.619603Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.599480 -1.947093 0.000000\n7.599480 1.947093 0.000000\n-1.288751 0.000000 9.550822\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953680 0.953680 0.239510 Gd\n0.046320 0.046320 0.760490 Gd\n0.610993 0.610993 0.448295 Ho\n0.389007 0.389007 0.551705 Ho\n0.099496 0.099496 0.318419 N\n0.900504 0.900504 0.681581 N\n0.463085 0.463085 0.362511 O\n0.536915 0.536915 0.637489 O\n0.787164 0.787164 0.351251 S\n0.212836 0.212836 0.648749 S\n0.371453 0.371453 0.021661 Se\n0.628547 0.628547 0.978339 Se\n0.202317 0.202317 0.182421 Tb\n0.797683 0.797683 0.817579 Tb\n",
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"nelements": 7,
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"density_atomic": 0.049532097263902265,
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
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},
{
"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",
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"elements": [
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],
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"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-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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"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-1557371",
"created_at": "2022-09-04T15:55:47.746874Z",
"updated_at": "2022-09-04T15:55:47.746898Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.570215 -1.937772 0.000000\n7.570215 1.937772 0.000000\n-1.392833 0.000000 9.514109\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.200558 0.200558 0.180173 Ho\n0.799442 0.799442 0.819827 Ho\n0.098742 0.098742 0.312848 N\n0.901258 0.901258 0.687152 N\n0.462124 0.462124 0.360766 O\n0.537876 0.537876 0.639234 O\n0.786606 0.786606 0.346886 S\n0.213394 0.213394 0.653114 S\n0.370379 0.370379 0.023761 Se\n0.629621 0.629621 0.976239 Se\n0.612014 0.612014 0.447674 Tb\n0.387986 0.387986 0.552326 Tb\n0.952410 0.952410 0.239142 Y\n0.047590 0.047590 0.760858 Y\n",
"nsites": 14,
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"elements": [
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"Se",
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],
"chemical_system": "Ho-N-O-S-Se-Tb-Y",
"density": 6.5889657261452825,
"density_atomic": 0.0501555534553033,
"volume": 279.13160229557155,
"volume_molar": 12.006927139916224,
"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbYHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557241",
"created_at": "2022-09-04T15:55:47.914998Z",
"updated_at": "2022-09-04T15:55:47.915029Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.721372 -1.923324 0.000000\n7.721372 1.923324 0.000000\n-1.512038 0.000000 9.464826\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.948384 0.948384 0.234831 Dy\n0.051616 0.051616 0.765169 Dy\n0.092780 0.092780 0.300670 N\n0.907220 0.907220 0.699330 N\n0.460517 0.460517 0.359694 O\n0.539483 0.539483 0.640306 O\n0.365944 0.365944 0.031950 S\n0.634056 0.634056 0.968050 S\n0.784861 0.784861 0.348734 Se\n0.215139 0.215139 0.651266 Se\n0.607302 0.607302 0.440562 Tb\n0.392698 0.392698 0.559438 Tb\n0.192621 0.192621 0.165062 Y\n0.807379 0.807379 0.834938 Y\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Dy-N-O-S-Se-Tb-Y",
"density": 6.513682762678166,
"density_atomic": 0.04980104757520157,
"volume": 281.118584480767,
"volume_molar": 12.092397757108076,
"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbDyYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3641287102241364,
"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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"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.817095398069621,
"density_atomic": 0.04749811313484972,
"volume": 294.7485505424866,
"volume_molar": 12.678694715520207,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"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",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"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",
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"density": 6.781822766376918,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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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",
"nsites": 14,
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},
{
"id": "oqmd-1557519",
"created_at": "2022-09-04T15:55:49.980108Z",
"updated_at": "2022-09-04T15:55:49.980143Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.703157 -1.908886 0.000000\n7.703157 1.908886 0.000000\n-1.555318 0.000000 9.410284\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051984 0.051984 0.264064 Er\n0.948016 0.948016 0.735936 Er\n0.808496 0.808496 0.335694 Ho\n0.191504 0.191504 0.664306 Ho\n0.907820 0.907820 0.201320 N\n0.092180 0.092180 0.798680 N\n0.540286 0.540286 0.140986 O\n0.459714 0.459714 0.859014 O\n0.633865 0.633865 0.467126 S\n0.366135 0.366135 0.532874 S\n0.215491 0.215491 0.151714 Se\n0.784509 0.784509 0.848286 Se\n0.392640 0.392640 0.060150 Y\n0.607360 0.607360 0.939850 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.745769640420533,
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"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.458750936224135,
"spacegroup": 12
},
{
"id": "oqmd-1557612",
"created_at": "2022-09-04T15:55:49.488948Z",
"updated_at": "2022-09-04T15:55:49.488972Z",
"structure_string": "Dy2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.545730 -1.932862 0.000000\n7.545730 1.932862 0.000000\n-1.373526 0.000000 9.492328\nDy Er N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.798948 0.798948 0.317840 Dy\n0.201052 0.201052 0.682160 Dy\n0.389587 0.389587 0.052999 Er\n0.610413 0.610413 0.947001 Er\n0.901777 0.901777 0.183512 N\n0.098223 0.098223 0.816488 N\n0.538507 0.538507 0.137020 O\n0.461493 0.461493 0.862980 O\n0.213583 0.213583 0.148479 S\n0.786417 0.786417 0.851521 S\n0.628923 0.628923 0.475812 Se\n0.371077 0.371077 0.524188 Se\n0.048299 0.048299 0.259034 Y\n0.951701 0.951701 0.740966 Y\n",
"nsites": 14,
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],
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"density": 6.713151001618048,
"density_atomic": 0.050561877752009515,
"volume": 276.8884507942071,
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"formula_full": "Dy2 Y2 Er2 Se2 S2 N2 O2",
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"formation_energy": -2.4802019838431844,
"spacegroup": 12
},
{
"id": "oqmd-1557542",
"created_at": "2022-09-04T15:55:50.046087Z",
"updated_at": "2022-09-04T15:55:50.046112Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.551161 -1.929332 0.000000\n7.551161 1.929332 0.000000\n-1.531765 0.000000 9.563474\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.050124 0.050124 0.255536 Er\n0.949876 0.949876 0.744464 Er\n0.904258 0.904258 0.189621 N\n0.095742 0.095742 0.810379 N\n0.539670 0.539670 0.138467 O\n0.460330 0.460330 0.861533 O\n0.214342 0.214342 0.150823 S\n0.785658 0.785658 0.849177 S\n0.629805 0.629805 0.469461 Se\n0.370195 0.370195 0.530539 Se\n0.388299 0.388299 0.053958 Tb\n0.611701 0.611701 0.946042 Tb\n0.801689 0.801689 0.322187 Y\n0.198311 0.198311 0.677813 Y\n",
"nsites": 14,
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"elements": [
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"volume_molar": 11.98641311011295,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}