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{
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"results": [
{
"id": "oqmd-72688",
"created_at": "2022-09-04T15:33:35.676831Z",
"updated_at": "2022-09-04T15:33:35.676852Z",
"structure_string": "Fe4 Te2 W2 C20 Se2 O20\n1.0\n6.598696 0.017445 0.030361\n0.774014 9.179620 0.014555\n1.791901 1.874303 12.970534\nC Fe O Se Te W\n20 4 20 2 2 2\ndirect\n0.208962 0.247901 0.059113 C\n0.581208 0.152775 0.066954 C\n0.646309 0.393887 0.133037 C\n0.272354 0.482903 0.133341 C\n0.079292 0.949359 0.208733 C\n0.451631 0.857454 0.219918 C\n0.200967 0.501784 0.363074 C\n0.576053 0.420714 0.376344 C\n0.220096 0.906438 0.394793 C\n0.295319 0.258165 0.496073 C\n0.704681 0.741825 0.503924 C\n0.779907 0.093579 0.605207 C\n0.423945 0.579275 0.623655 C\n0.799026 0.498209 0.636925 C\n0.548370 0.142558 0.780083 C\n0.920721 0.050648 0.791270 C\n0.727649 0.517095 0.866654 C\n0.353691 0.606118 0.866960 C\n0.418797 0.847234 0.933046 C\n0.791043 0.752102 0.940889 C\n0.281625 0.996443 0.270606 Fe\n0.352696 0.333508 0.367362 Fe\n0.647302 0.666487 0.632638 Fe\n0.718379 0.003568 0.729395 Fe\n0.099875 0.230708 0.001291 O\n0.684986 0.085303 0.010150 O\n0.206610 0.603658 0.115210 O\n0.788810 0.463735 0.117716 O\n0.946314 0.916471 0.170378 O\n0.557408 0.762363 0.189202 O\n0.107520 0.614324 0.360228 O\n0.721998 0.477106 0.384946 O\n0.739058 0.792634 0.417776 O\n0.181102 0.847442 0.478838 O\n0.818886 0.152558 0.521160 O\n0.260943 0.207355 0.582220 O\n0.277998 0.522877 0.615058 O\n0.892475 0.385666 0.639771 O\n0.442592 0.237644 0.810800 O\n0.053699 0.083519 0.829629 O\n0.211188 0.536273 0.882280 O\n0.793386 0.396341 0.884788 O\n0.315013 0.914699 0.989852 O\n0.900123 0.769292 0.998714 O\n0.095727 0.219877 0.303977 Se\n0.904274 0.780124 0.696022 Se\n0.580101 0.111599 0.321581 Te\n0.419892 0.888401 0.678418 Te\n0.397094 0.274820 0.161963 W\n0.602908 0.725182 0.838040 W\n",
"nsites": 50,
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"elements": [
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"Fe",
"O",
"Se",
"Te",
"W"
],
"chemical_system": "C-Fe-O-Se-Te-W",
"density": 3.309780806427386,
"density_atomic": 0.06370555883390404,
"volume": 784.8608648165573,
"volume_molar": 9.453085209881278,
"formula_full": "Fe4 Te2 W2 C20 Se2 O20",
"formula_reduced": "Fe2TeWC10SeO10",
"formula_anonymous": "ABCD2E10F10",
"formation_energy": -0.649731370757975,
"spacegroup": 2
},
{
"id": "oqmd-1558316",
"created_at": "2022-09-04T15:55:42.530124Z",
"updated_at": "2022-09-04T15:55:42.530151Z",
"structure_string": "Dy2 Ho2 Tm2 S4 N2 O2\n1.0\n7.516886 -1.894082 0.000000\n7.516886 1.894082 0.000000\n-1.560821 0.000000 9.304548\nDy Ho N O S Tm\n2 2 2 2 4 2\ndirect\n0.388323 0.388323 0.055901 Dy\n0.611677 0.611677 0.944099 Dy\n0.051886 0.051886 0.265581 Ho\n0.948114 0.948114 0.734419 Ho\n0.904121 0.904121 0.197033 N\n0.095879 0.095879 0.802967 N\n0.539999 0.539999 0.140383 O\n0.460001 0.460001 0.859617 O\n0.215310 0.215310 0.154590 S\n0.635947 0.635947 0.472553 S\n0.364053 0.364053 0.527447 S\n0.784690 0.784690 0.845410 S\n0.802365 0.802365 0.328957 Tm\n0.197635 0.197635 0.671043 Tm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"O",
"S",
"Tm"
],
"chemical_system": "Dy-Ho-N-O-S-Tm",
"density": 7.4018016242929034,
"density_atomic": 0.05284039052108173,
"volume": 264.9488367125981,
"volume_molar": 11.396851349153724,
"formula_full": "Dy2 Ho2 Tm2 S4 N2 O2",
"formula_reduced": "DyHoTmS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.5796541820355663,
"spacegroup": 12
},
{
"id": "oqmd-1558281",
"created_at": "2022-09-04T15:55:42.286266Z",
"updated_at": "2022-09-04T15:55:42.286293Z",
"structure_string": "Dy2 Ho4 Se2 S2 N2 O2\n1.0\n7.689626 -1.914010 0.000000\n7.689626 1.914010 0.000000\n-1.469998 0.000000 9.388214\nDy Ho N O S Se\n2 4 2 2 2 2\ndirect\n0.949308 0.949308 0.233562 Dy\n0.050692 0.050692 0.766438 Dy\n0.193465 0.193465 0.166775 Ho\n0.606703 0.606703 0.440966 Ho\n0.393297 0.393297 0.559034 Ho\n0.806535 0.806535 0.833225 Ho\n0.093972 0.093972 0.302669 N\n0.906028 0.906028 0.697331 N\n0.461449 0.461449 0.360305 O\n0.538551 0.538551 0.639695 O\n0.365926 0.365926 0.029606 S\n0.634074 0.634074 0.970394 S\n0.785229 0.785229 0.349730 Se\n0.214771 0.214771 0.650270 Se\n",
"nsites": 14,
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"elements": [
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"O",
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],
"chemical_system": "Dy-Ho-N-O-S-Se",
"density": 7.611830210238561,
"density_atomic": 0.0506600529526683,
"volume": 276.35186274045554,
"volume_molar": 11.887355833651592,
"formula_full": "Dy2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "DyHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.46888872693842,
"spacegroup": 12
},
{
"id": "oqmd-1558137",
"created_at": "2022-09-04T15:55:42.118487Z",
"updated_at": "2022-09-04T15:55:42.118514Z",
"structure_string": "Nd2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.866817 -1.973140 0.000000\n7.866817 1.973140 0.000000\n-1.484403 0.000000 9.814153\nDy Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.953459 0.953459 0.241131 Dy\n0.046541 0.046541 0.758869 Dy\n0.193064 0.193064 0.167950 Gd\n0.806936 0.806936 0.832050 Gd\n0.095192 0.095192 0.303040 N\n0.904808 0.904808 0.696960 N\n0.611002 0.611002 0.444937 Nd\n0.388998 0.388998 0.555063 Nd\n0.462645 0.462645 0.357428 O\n0.537355 0.537355 0.642572 O\n0.371108 0.371108 0.033180 Se\n0.786197 0.786197 0.342873 Se\n0.213803 0.213803 0.657127 Se\n0.628892 0.628892 0.966820 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"Se"
],
"chemical_system": "Dy-Gd-N-Nd-O-Se",
"density": 7.106117165997748,
"density_atomic": 0.04595029113601173,
"volume": 304.67706849909496,
"volume_molar": 13.105772806040799,
"formula_full": "Nd2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "NdGdDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3356877157698466,
"spacegroup": 12
},
{
"id": "oqmd-1558081",
"created_at": "2022-09-04T15:55:41.943419Z",
"updated_at": "2022-09-04T15:55:41.943437Z",
"structure_string": "Nd4 Gd2 Se2 S2 N2 O2\n1.0\n7.932455 -1.978717 0.000000\n7.932455 1.978717 0.000000\n-1.702054 0.000000 9.826215\nGd N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.946952 0.946952 0.238886 Gd\n0.053048 0.053048 0.761114 Gd\n0.090809 0.090809 0.299564 N\n0.909191 0.909191 0.700436 N\n0.189232 0.189232 0.160593 Nd\n0.608772 0.608772 0.442970 Nd\n0.391228 0.391228 0.557030 Nd\n0.810768 0.810768 0.839407 Nd\n0.460134 0.460134 0.358783 O\n0.539866 0.539866 0.641217 O\n0.367991 0.367991 0.039144 S\n0.632009 0.632009 0.960856 S\n0.784159 0.784159 0.347024 Se\n0.215841 0.215841 0.652976 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-S-Se",
"density": 6.317362639861003,
"density_atomic": 0.04538585022123632,
"volume": 308.4661834416691,
"volume_molar": 13.268762688469376,
"formula_full": "Nd4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Nd2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.377729271105088,
"spacegroup": 12
},
{
"id": "oqmd-1558105",
"created_at": "2022-09-04T15:55:41.963476Z",
"updated_at": "2022-09-04T15:55:41.963504Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.808062 -1.982033 0.000000\n7.808062 1.982033 0.000000\n-0.804130 0.000000 9.608183\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.796094 0.796094 0.320617 Ho\n0.203906 0.203906 0.679383 Ho\n0.895641 0.895641 0.181085 N\n0.104359 0.104359 0.818915 N\n0.036858 0.036858 0.273254 Nd\n0.963142 0.963142 0.726746 Nd\n0.531869 0.531869 0.142108 O\n0.468131 0.468131 0.857892 O\n0.210237 0.210237 0.153148 Se\n0.628162 0.628162 0.490478 Se\n0.371838 0.371838 0.509522 Se\n0.789763 0.789763 0.846852 Se\n0.390750 0.390750 0.052287 Tb\n0.609250 0.609250 0.947713 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
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],
"chemical_system": "Ho-N-Nd-O-Se-Tb",
"density": 7.3261072589927565,
"density_atomic": 0.04707633445390414,
"volume": 297.38933930186124,
"volume_molar": 12.792289012851489,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
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"formation_energy": -2.259609173460323,
"spacegroup": 12
},
{
"id": "oqmd-1558072",
"created_at": "2022-09-04T15:55:41.886901Z",
"updated_at": "2022-09-04T15:55:41.886926Z",
"structure_string": "Nd2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.922159 -2.000594 0.000000\n7.922159 2.000594 0.000000\n-1.303252 0.000000 9.837821\nGd N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.196843 0.196843 0.172371 Gd\n0.803157 0.803157 0.827629 Gd\n0.098435 0.098435 0.307203 N\n0.901565 0.901565 0.692797 N\n0.610737 0.610737 0.446321 Nd\n0.389263 0.389263 0.553679 Nd\n0.464227 0.464227 0.356980 O\n0.535773 0.535773 0.643020 O\n0.370129 0.370129 0.023581 Se\n0.787215 0.787215 0.344323 Se\n0.212785 0.212785 0.655677 Se\n0.629871 0.629871 0.976419 Se\n0.955614 0.955614 0.234471 Sm\n0.044386 0.044386 0.765529 Sm\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.04489485851185177,
"volume": 311.8397175993805,
"volume_molar": 13.413876242443704,
"formula_full": "Nd2 Sm2 Gd2 Se4 N2 O2",
"formula_reduced": "NdSmGdSe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558063",
"created_at": "2022-09-04T15:55:41.863557Z",
"updated_at": "2022-09-04T15:55:41.863565Z",
"structure_string": "Tb2 Nd2 Er2 Se4 N2 O2\n1.0\n7.802537 -1.981484 0.000000\n7.802537 1.981484 0.000000\n-0.830265 0.000000 9.598359\nEr N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.203203 0.203203 0.179349 Er\n0.796797 0.796797 0.820651 Er\n0.103419 0.103419 0.317494 N\n0.896581 0.896581 0.682506 N\n0.961698 0.961698 0.226838 Nd\n0.038302 0.038302 0.773162 Nd\n0.467057 0.467057 0.358773 O\n0.532943 0.532943 0.641227 O\n0.370140 0.370140 0.010659 Se\n0.789306 0.789306 0.347227 Se\n0.210694 0.210694 0.652773 Se\n0.629860 0.629860 0.989341 Se\n0.609272 0.609272 0.447406 Tb\n0.390728 0.390728 0.552594 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.36688952956026,
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"volume_molar": 12.76662960535967,
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"spacegroup": 12
},
{
"id": "oqmd-1558321",
"created_at": "2022-09-04T15:55:41.811345Z",
"updated_at": "2022-09-04T15:55:41.811362Z",
"structure_string": "Dy4 Ho2 Se2 S2 N2 O2\n1.0\n7.547610 -1.930171 0.000000\n7.547610 1.930171 0.000000\n-1.414319 0.000000 9.511457\nDy Ho N O S Se\n4 2 2 2 2 2\ndirect\n0.048858 0.048858 0.258110 Dy\n0.799971 0.799971 0.319045 Dy\n0.200029 0.200029 0.680955 Dy\n0.951142 0.951142 0.741890 Dy\n0.389077 0.389077 0.053008 Ho\n0.610923 0.610923 0.946992 Ho\n0.902648 0.902648 0.184935 N\n0.097352 0.097352 0.815065 N\n0.538685 0.538685 0.137244 O\n0.461315 0.461315 0.862756 O\n0.213939 0.213939 0.149173 S\n0.786061 0.786061 0.850827 S\n0.629293 0.629293 0.474413 Se\n0.370707 0.370707 0.525587 Se\n",
"nsites": 14,
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],
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"density": 7.5613547913264005,
"density_atomic": 0.05051795406727544,
"volume": 277.1291961142372,
"volume_molar": 11.920793055039868,
"formula_full": "Dy4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Dy2HoSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558170",
"created_at": "2022-09-04T15:55:41.919595Z",
"updated_at": "2022-09-04T15:55:41.919612Z",
"structure_string": "Tb2 Nd4 Se2 S2 N2 O2\n1.0\n7.888102 -1.986387 0.000000\n7.888102 1.986387 0.000000\n-1.351870 0.000000 9.703539\nN Nd O S Se Tb\n2 4 2 2 2 2\ndirect\n0.904222 0.904222 0.187677 N\n0.095778 0.095778 0.812323 N\n0.049257 0.049257 0.267591 Nd\n0.803475 0.803475 0.329841 Nd\n0.196525 0.196525 0.670159 Nd\n0.950743 0.950743 0.732409 Nd\n0.536925 0.536925 0.137303 O\n0.463075 0.463075 0.862697 O\n0.631405 0.631405 0.474181 S\n0.368595 0.368595 0.525819 S\n0.213097 0.213097 0.144092 Se\n0.786903 0.786903 0.855908 Se\n0.394076 0.394076 0.055913 Tb\n0.605924 0.605924 0.944087 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.42665636408476,
"density_atomic": 0.04603959581267744,
"volume": 304.0860753200828,
"volume_molar": 13.080351062382146,
"formula_full": "Tb2 Nd4 Se2 S2 N2 O2",
"formula_reduced": "TbNd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2887581757003264,
"spacegroup": 12
},
{
"id": "oqmd-1558059",
"created_at": "2022-09-04T15:55:41.971185Z",
"updated_at": "2022-09-04T15:55:41.971204Z",
"structure_string": "Tb2 Nd2 Gd2 Se4 N2 O2\n1.0\n7.860237 -1.987236 0.000000\n7.860237 1.987236 0.000000\n-1.414420 0.000000 9.840974\nGd N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.047688 0.047688 0.254189 Gd\n0.952312 0.952312 0.745811 Gd\n0.905657 0.905657 0.184305 N\n0.094343 0.094343 0.815695 N\n0.805395 0.805395 0.326622 Nd\n0.194605 0.194605 0.673378 Nd\n0.537296 0.537296 0.135452 O\n0.462704 0.462704 0.864548 O\n0.213403 0.213403 0.144272 Se\n0.625637 0.625637 0.466068 Se\n0.374363 0.374363 0.533932 Se\n0.786597 0.786597 0.855728 Se\n0.393329 0.393329 0.054732 Tb\n0.606671 0.606671 0.945268 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 307.43490004374297,
"volume_molar": 13.224401732856787,
"formula_full": "Tb2 Nd2 Gd2 Se4 N2 O2",
"formula_reduced": "TbNdGdSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558730",
"created_at": "2022-09-04T15:55:41.783211Z",
"updated_at": "2022-09-04T15:55:41.783234Z",
"structure_string": "Nd2 Gd2 Tm2 S4 N2 O2\n1.0\n7.637210 -1.923478 0.000000\n7.637210 1.923478 0.000000\n-1.782587 0.000000 9.561231\nGd N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.193495 0.193495 0.162009 Gd\n0.806505 0.806505 0.837991 Gd\n0.092893 0.092893 0.295654 N\n0.907107 0.907107 0.704346 N\n0.614314 0.614314 0.445066 Nd\n0.385686 0.385686 0.554934 Nd\n0.458988 0.458988 0.355910 O\n0.541012 0.541012 0.644090 O\n0.367643 0.367643 0.037616 S\n0.784678 0.784678 0.338721 S\n0.215322 0.215322 0.661279 S\n0.632357 0.632357 0.962384 S\n0.946909 0.946909 0.238727 Tm\n0.053091 0.053091 0.761273 Tm\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-S-Tm",
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"formula_full": "Nd2 Gd2 Tm2 S4 N2 O2",
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"formula_anonymous": "ABCDEF2",
"formation_energy": -2.515473736678424,
"spacegroup": 12
}
]
}