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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=9",
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"results": [
{
"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": [
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"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",
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"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": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
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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-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",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.310105497254322,
"density_atomic": 0.049532097263902265,
"volume": 282.6450074465723,
"volume_molar": 12.158057285389331,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.383319242962231,
"spacegroup": 12
},
{
"id": "oqmd-1557803",
"created_at": "2022-09-04T15:55:38.389552Z",
"updated_at": "2022-09-04T15:55:38.389576Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.726134 -1.920313 0.000000\n7.726134 1.920313 0.000000\n-1.493108 0.000000 9.413552\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.193402 0.193402 0.165711 Er\n0.806598 0.806598 0.834289 Er\n0.093823 0.093823 0.298761 N\n0.906177 0.906177 0.701239 N\n0.461076 0.461076 0.359089 O\n0.538924 0.538924 0.640911 O\n0.364421 0.364421 0.029144 S\n0.635579 0.635579 0.970856 S\n0.784842 0.784842 0.347394 Se\n0.215158 0.215158 0.652606 Se\n0.607479 0.607479 0.440447 Tb\n0.392521 0.392521 0.559553 Tb\n0.948891 0.948891 0.232027 Y\n0.051109 0.051109 0.767973 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"N",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "Er-N-O-S-Se-Tb-Y",
"density": 6.611969516570775,
"density_atomic": 0.050119906934629324,
"volume": 279.33012761296624,
"volume_molar": 12.01546676424318,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3618565957003272,
"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,
"nelements": 7,
"elements": [
"Dy",
"N",
"O",
"S",
"Se",
"Tb",
"Y"
],
"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-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,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"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",
"formation_energy": -2.4526861914622304,
"spacegroup": 12
},
{
"id": "oqmd-1557116",
"created_at": "2022-09-04T15:55:47.366267Z",
"updated_at": "2022-09-04T15:55:47.366287Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.585159 -1.946830 0.000000\n7.585159 1.946830 0.000000\n-1.266589 0.000000 9.534160\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.955281 0.955281 0.237283 Gd\n0.044719 0.044719 0.762717 Gd\n0.100975 0.100975 0.316076 N\n0.899025 0.899025 0.683924 N\n0.463630 0.463630 0.360012 O\n0.536370 0.536370 0.639988 O\n0.788417 0.788417 0.348177 S\n0.211583 0.211583 0.651823 S\n0.371151 0.371151 0.020487 Se\n0.628849 0.628849 0.979513 Se\n0.612732 0.612732 0.448822 Tb\n0.387268 0.387268 0.551178 Tb\n0.203860 0.203860 0.180763 Y\n0.796140 0.796140 0.819237 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
"S",
"Se",
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],
"chemical_system": "Gd-N-O-S-Se-Tb-Y",
"density": 6.44103858686743,
"density_atomic": 0.04971905726510503,
"volume": 281.5821692947867,
"volume_molar": 12.11233899285254,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.378358083914613,
"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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],
"chemical_system": "Gd-N-O-S-Se-Tb-Y",
"density": 6.381068730739801,
"density_atomic": 0.0492561436106101,
"volume": 284.2285037715439,
"volume_molar": 12.22617184083163,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.350139467486041,
"spacegroup": 12
},
{
"id": "oqmd-1557324",
"created_at": "2022-09-04T15:55:47.507396Z",
"updated_at": "2022-09-04T15:55:47.507411Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.721372 -1.921700 0.000000\n7.721372 1.921700 0.000000\n-1.504454 0.000000 9.442569\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.807214 0.807214 0.334262 Ho\n0.192786 0.192786 0.665738 Ho\n0.906408 0.906408 0.200251 N\n0.093592 0.093592 0.799749 N\n0.539482 0.539482 0.140584 O\n0.460518 0.460518 0.859416 O\n0.634360 0.634360 0.470280 S\n0.365640 0.365640 0.529720 S\n0.215130 0.215130 0.152640 Se\n0.784870 0.784870 0.847360 Se\n0.392719 0.392719 0.059599 Tb\n0.607281 0.607281 0.940401 Tb\n0.051394 0.051394 0.267100 Y\n0.948606 0.948606 0.732900 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.563357005665859,
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"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbYHoSeSNO",
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"formation_energy": -2.360595024747944,
"spacegroup": 12
},
{
"id": "oqmd-1557549",
"created_at": "2022-09-04T15:55:47.527235Z",
"updated_at": "2022-09-04T15:55:47.527256Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.571166 -1.933766 0.000000\n7.571166 1.933766 0.000000\n-1.399840 0.000000 9.519953\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.047021 0.047021 0.261726 Dy\n0.952979 0.952979 0.738274 Dy\n0.799122 0.799122 0.321305 Er\n0.200878 0.200878 0.678695 Er\n0.386946 0.386946 0.052379 Gd\n0.613054 0.613054 0.947621 Gd\n0.901009 0.901009 0.189482 N\n0.098991 0.098991 0.810518 N\n0.537616 0.537616 0.140874 O\n0.462384 0.462384 0.859126 O\n0.213453 0.213453 0.155113 S\n0.786547 0.786547 0.844887 S\n0.630211 0.630211 0.476208 Se\n0.369789 0.369789 0.523792 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Er",
"Gd",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Gd-N-O-S-Se",
"density": 7.482297618618857,
"density_atomic": 0.05022229414678296,
"volume": 278.7606627264514,
"volume_molar": 11.990971066354113,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.481196219914611,
"spacegroup": 12
},
{
"id": "oqmd-1557330",
"created_at": "2022-09-04T15:55:47.538887Z",
"updated_at": "2022-09-04T15:55:47.538904Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.716070 -1.918956 0.000000\n7.716070 1.918956 0.000000\n-1.534458 0.000000 9.460432\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.051421 0.051421 0.264494 Ho\n0.948579 0.948579 0.735506 Ho\n0.907394 0.907394 0.200079 N\n0.092606 0.092606 0.799921 N\n0.539474 0.539474 0.140670 O\n0.460526 0.460526 0.859330 O\n0.633596 0.633596 0.466755 S\n0.366404 0.366404 0.533245 S\n0.214934 0.214934 0.151797 Se\n0.785066 0.785066 0.848203 Se\n0.392575 0.392575 0.059406 Tb\n0.607425 0.607425 0.940594 Tb\n0.807688 0.807688 0.335745 Y\n0.192312 0.192312 0.664255 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb-Y",
"density": 6.564839567495618,
"density_atomic": 0.04997190386747454,
"volume": 280.1574268038294,
"volume_molar": 12.051053279800414,
"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3661751054622298,
"spacegroup": 12
},
{
"id": "oqmd-1558229",
"created_at": "2022-09-04T15:55:39.734092Z",
"updated_at": "2022-09-04T15:55:39.734110Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.651757 -1.978403 0.000000\n7.651757 1.978403 0.000000\n-0.836081 0.000000 9.569984\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.613757 0.613757 0.452817 Gd\n0.386243 0.386243 0.547183 Gd\n0.107687 0.107687 0.323658 N\n0.892313 0.892313 0.676342 N\n0.964510 0.964510 0.227064 Nd\n0.035490 0.035490 0.772936 Nd\n0.468501 0.468501 0.356823 O\n0.531499 0.531499 0.643177 O\n0.792000 0.792000 0.344794 S\n0.208000 0.208000 0.655206 S\n0.373849 0.373849 0.005114 Se\n0.626151 0.626151 0.994886 Se\n0.210554 0.210554 0.184632 Tb\n0.789446 0.789446 0.815368 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.893826741903539,
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"volume": 289.7457929136308,
"volume_molar": 12.463499639597822,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3457899439146126,
"spacegroup": 12
}
]
}