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{
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"results": [
{
"id": "oqmd-1558311",
"created_at": "2022-09-04T15:55:41.791242Z",
"updated_at": "2022-09-04T15:55:41.791260Z",
"structure_string": "Nd2 Gd2 Dy2 S4 N2 O2\n1.0\n7.647395 -1.946487 0.000000\n7.647395 1.946487 0.000000\n-1.341333 0.000000 9.461291\nDy Gd N Nd O S\n2 2 2 2 2 4\ndirect\n0.797067 0.797067 0.324071 Dy\n0.202933 0.202933 0.675929 Dy\n0.387737 0.387737 0.052840 Gd\n0.612263 0.612263 0.947160 Gd\n0.899183 0.899183 0.190516 N\n0.100817 0.100817 0.809484 N\n0.048337 0.048337 0.274905 Nd\n0.951663 0.951663 0.725095 Nd\n0.537011 0.537011 0.140862 O\n0.462989 0.462989 0.859138 O\n0.213358 0.213358 0.153018 S\n0.636632 0.636632 0.483756 S\n0.363368 0.363368 0.516244 S\n0.786642 0.786642 0.846982 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.580631247679141,
"density_atomic": 0.04970300075163986,
"volume": 281.6731341827102,
"volume_molar": 12.116251873990345,
"formula_full": "Nd2 Gd2 Dy2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-648959",
"created_at": "2022-09-04T15:33:37.162203Z",
"updated_at": "2022-09-04T15:33:37.162212Z",
"structure_string": "Rb4 Ga4 B4 P8 H4 O36\n1.0\n9.264932 0.000000 0.046182\n0.000000 8.223776 0.000000\n-2.010929 0.000000 9.272714\nB Ga H O P Rb\n4 4 4 36 8 4\ndirect\n0.828994 0.564579 0.197959 B\n0.171006 0.064579 0.302041 B\n0.828993 0.935422 0.697958 B\n0.171007 0.435422 0.802042 B\n0.292630 0.650351 0.066949 Ga\n0.707370 0.150351 0.433051 Ga\n0.292631 0.849650 0.566949 Ga\n0.707369 0.349650 0.933051 Ga\n0.901354 0.578848 0.004234 H\n0.098646 0.078848 0.495766 H\n0.901354 0.921151 0.504234 H\n0.098646 0.421151 0.995766 H\n0.811053 0.556150 0.038313 O\n0.858066 0.216813 0.059920 O\n0.580780 0.336617 0.075980 O\n0.396749 0.840610 0.149909 O\n0.142693 0.622119 0.185535 O\n0.413858 0.507133 0.200886 O\n0.680572 0.584097 0.225964 O\n0.094041 0.920243 0.230417 O\n0.092228 0.212981 0.246546 O\n0.907772 0.712981 0.253454 O\n0.905959 0.420242 0.269584 O\n0.319428 0.084098 0.274036 O\n0.586141 0.007133 0.299114 O\n0.857307 0.122119 0.314465 O\n0.603251 0.340610 0.350091 O\n0.419220 0.836616 0.424020 O\n0.141934 0.716812 0.440080 O\n0.188947 0.056149 0.461687 O\n0.811053 0.943851 0.538312 O\n0.858065 0.283187 0.559919 O\n0.580780 0.163384 0.575980 O\n0.396749 0.659391 0.649909 O\n0.142693 0.877880 0.685535 O\n0.413859 0.992866 0.700886 O\n0.680572 0.915903 0.725964 O\n0.094040 0.579757 0.730417 O\n0.092228 0.287019 0.746546 O\n0.907773 0.787019 0.753454 O\n0.905960 0.079758 0.769583 O\n0.319428 0.415903 0.774035 O\n0.586142 0.492867 0.799115 O\n0.857307 0.377880 0.814465 O\n0.603251 0.159390 0.850091 O\n0.419220 0.663384 0.924020 O\n0.141935 0.783188 0.940080 O\n0.188946 0.443851 0.961688 O\n0.567530 0.436490 0.208705 P\n0.921099 0.241147 0.220061 P\n0.078902 0.741147 0.279939 P\n0.432470 0.936491 0.291295 P\n0.567531 0.063510 0.708704 P\n0.921099 0.258853 0.720061 P\n0.078901 0.758853 0.779939 P\n0.432469 0.563510 0.791296 P\n0.690744 0.895165 0.051233 Rb\n0.309255 0.395165 0.448767 Rb\n0.690745 0.604835 0.551233 Rb\n0.309256 0.104835 0.948766 Rb\n",
"nsites": 60,
"nelements": 6,
"elements": [
"B",
"Ga",
"H",
"O",
"P",
"Rb"
],
"chemical_system": "B-Ga-H-O-P-Rb",
"density": 3.5024527430656955,
"density_atomic": 0.08483238240878761,
"volume": 707.2770833061588,
"volume_molar": 7.098870253319891,
"formula_full": "Rb4 Ga4 B4 P8 H4 O36",
"formula_reduced": "RbGaBP2HO9",
"formula_anonymous": "ABCDE2F9",
"formation_energy": -2.41650510220086,
"spacegroup": 14
},
{
"id": "oqmd-1558160",
"created_at": "2022-09-04T15:55:41.813569Z",
"updated_at": "2022-09-04T15:55:41.813597Z",
"structure_string": "Nd4 Gd2 Se2 S2 N2 O2\n1.0\n7.751372 -2.001781 0.000000\n7.751372 2.001781 0.000000\n-1.191057 0.000000 9.767819\nGd N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.611184 0.611184 0.451163 Gd\n0.388816 0.388816 0.548837 Gd\n0.101216 0.101216 0.323538 N\n0.898784 0.898784 0.676462 N\n0.205210 0.205210 0.183711 Nd\n0.956256 0.956256 0.236634 Nd\n0.043744 0.043744 0.763366 Nd\n0.794790 0.794790 0.816289 Nd\n0.464903 0.464903 0.362020 O\n0.535097 0.535097 0.637980 O\n0.789598 0.789598 0.353354 S\n0.210402 0.210402 0.646646 S\n0.374026 0.374026 0.017455 Se\n0.625974 0.625974 0.982545 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Gd-N-Nd-O-S-Se",
"density": 6.428662497872998,
"density_atomic": 0.04618546217536159,
"volume": 303.12568805403305,
"volume_molar": 13.039039724523125,
"formula_full": "Nd4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Nd2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.398747034676517,
"spacegroup": 12
},
{
"id": "oqmd-1558333",
"created_at": "2022-09-04T15:55:41.837539Z",
"updated_at": "2022-09-04T15:55:41.837561Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.557848 -1.921097 0.000000\n7.557848 1.921097 0.000000\n-1.716766 0.000000 9.514669\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.945277 0.945277 0.245295 Ho\n0.054723 0.054723 0.754705 Ho\n0.092476 0.092476 0.314497 N\n0.907524 0.907524 0.685503 N\n0.194416 0.194416 0.171007 Nd\n0.805584 0.805584 0.828993 Nd\n0.458859 0.458859 0.365464 O\n0.541141 0.541141 0.634536 O\n0.371131 0.371131 0.038644 S\n0.785244 0.785244 0.357528 S\n0.214756 0.214756 0.642472 S\n0.628869 0.628869 0.961356 S\n0.608713 0.608713 0.446373 Tm\n0.391287 0.391287 0.553627 Tm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"S",
"Tm"
],
"chemical_system": "Ho-N-Nd-O-S-Tm",
"density": 6.8784118169369695,
"density_atomic": 0.05067070051528601,
"volume": 276.2937922237047,
"volume_molar": 11.884857913466739,
"formula_full": "Nd2 Ho2 Tm2 S4 N2 O2",
"formula_reduced": "NdHoTmS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.5294861846546133,
"spacegroup": 12
},
{
"id": "oqmd-1558346",
"created_at": "2022-09-04T15:55:41.859247Z",
"updated_at": "2022-09-04T15:55:41.859263Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.625813 -1.913839 0.000000\n7.625813 1.913839 0.000000\n-1.673306 0.000000 9.445638\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.052645 0.052645 0.268963 Ho\n0.947355 0.947355 0.731037 Ho\n0.905410 0.905410 0.207737 N\n0.094590 0.094590 0.792263 N\n0.385815 0.385815 0.056275 Nd\n0.614185 0.614185 0.943725 Nd\n0.540763 0.540763 0.146253 O\n0.459237 0.459237 0.853747 O\n0.215818 0.215818 0.163880 S\n0.637510 0.637510 0.470616 S\n0.362490 0.362490 0.529384 S\n0.784182 0.784182 0.836120 S\n0.803670 0.803670 0.334558 Tm\n0.196330 0.196330 0.665442 Tm\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Tm",
"density": 6.892971080940697,
"density_atomic": 0.05077795319594688,
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"formula_full": "Nd2 Ho2 Tm2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558387",
"created_at": "2022-09-04T15:55:41.924950Z",
"updated_at": "2022-09-04T15:55:41.924979Z",
"structure_string": "Gd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.741028 -1.944858 0.000000\n7.741028 1.944858 0.000000\n-1.300456 0.000000 9.590326\nEr Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.804201 0.804201 0.327133 Er\n0.195799 0.195799 0.672867 Er\n0.390799 0.390799 0.055518 Gd\n0.609201 0.609201 0.944482 Gd\n0.044819 0.044819 0.261627 Ho\n0.955181 0.955181 0.738373 Ho\n0.903052 0.903052 0.192566 N\n0.096948 0.096948 0.807434 N\n0.536443 0.536443 0.141517 O\n0.463557 0.463557 0.858483 O\n0.212861 0.212861 0.153996 Se\n0.629628 0.629628 0.473088 Se\n0.370372 0.370372 0.526912 Se\n0.787139 0.787139 0.846004 Se\n",
"nsites": 14,
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"elements": [
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"Ho",
"N",
"O",
"Se"
],
"chemical_system": "Er-Gd-Ho-N-O-Se",
"density": 7.790264674160928,
"density_atomic": 0.04848173281294106,
"volume": 288.7685564791329,
"volume_molar": 12.421463529852486,
"formula_full": "Gd2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "GdHoErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3808780467222275,
"spacegroup": 12
},
{
"id": "oqmd-1558179",
"created_at": "2022-09-04T15:55:41.948377Z",
"updated_at": "2022-09-04T15:55:41.948399Z",
"structure_string": "Tb2 Nd4 Se2 S2 N2 O2\n1.0\n7.749014 -1.986388 0.000000\n7.749014 1.986388 0.000000\n-1.636047 0.000000 9.883679\nN Nd O S Se Tb\n2 4 2 2 2 2\ndirect\n0.096179 0.096179 0.310969 N\n0.903821 0.903821 0.689031 N\n0.197277 0.197277 0.172947 Nd\n0.613961 0.613961 0.449392 Nd\n0.386039 0.386039 0.550608 Nd\n0.802723 0.802723 0.827053 Nd\n0.461730 0.461730 0.359891 O\n0.538270 0.538270 0.640109 O\n0.786740 0.786740 0.345849 S\n0.213260 0.213260 0.654151 S\n0.374289 0.374289 0.034729 Se\n0.625711 0.625711 0.965271 Se\n0.951251 0.951251 0.245910 Tb\n0.048749 0.048749 0.754090 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "N-Nd-O-S-Se-Tb",
"density": 6.4227712679381055,
"density_atomic": 0.046011763570504835,
"volume": 304.27001517878125,
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"formula_full": "Tb2 Nd4 Se2 S2 N2 O2",
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"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",
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"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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"Tb"
],
"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",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.259609173460323,
"spacegroup": 12
},
{
"id": "oqmd-1558400",
"created_at": "2022-09-04T15:55:41.969536Z",
"updated_at": "2022-09-04T15:55:41.969566Z",
"structure_string": "Gd2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.747369 -1.951830 0.000000\n7.747369 1.951830 0.000000\n-1.168292 0.000000 9.595097\nDy Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.197718 0.197718 0.176122 Dy\n0.802282 0.802282 0.823878 Dy\n0.955417 0.955417 0.238575 Gd\n0.044583 0.044583 0.761425 Gd\n0.607494 0.607494 0.444537 Ho\n0.392506 0.392506 0.555463 Ho\n0.097887 0.097887 0.314165 N\n0.902113 0.902113 0.685835 N\n0.464075 0.464075 0.362265 O\n0.535925 0.535925 0.637735 O\n0.370994 0.370994 0.024299 Se\n0.786989 0.786989 0.351162 Se\n0.213011 0.213011 0.648838 Se\n0.629006 0.629006 0.975701 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Gd",
"Ho",
"N",
"O",
"Se"
],
"chemical_system": "Dy-Gd-Ho-N-O-Se",
"density": 7.697762468668196,
"density_atomic": 0.04824501436898189,
"volume": 290.18542502499497,
"volume_molar": 12.482410542863903,
"formula_full": "Gd2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "GdDyHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.380996587674609,
"spacegroup": 12
},
{
"id": "oqmd-1557970",
"created_at": "2022-09-04T15:55:42.066479Z",
"updated_at": "2022-09-04T15:55:42.066509Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.563657 -1.933488 0.000000\n7.563657 1.933488 0.000000\n-1.352090 0.000000 9.493033\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.201133 0.201133 0.182641 Ho\n0.610867 0.610867 0.447453 Ho\n0.389133 0.389133 0.552547 Ho\n0.798867 0.798867 0.817359 Ho\n0.098680 0.098680 0.315971 N\n0.901320 0.901320 0.684029 N\n0.462393 0.462393 0.362174 O\n0.537607 0.537607 0.637826 O\n0.786239 0.786239 0.349787 S\n0.213761 0.213761 0.650213 S\n0.370241 0.370241 0.021976 Se\n0.629759 0.629759 0.978024 Se\n0.951978 0.951978 0.238994 Tb\n0.048022 0.048022 0.761006 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.533299619036996,
"density_atomic": 0.05042196218610235,
"volume": 277.6567867059084,
"volume_molar": 11.943487517944837,
"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.393693312366993,
"spacegroup": 12
},
{
"id": "oqmd-1558196",
"created_at": "2022-09-04T15:55:42.005381Z",
"updated_at": "2022-09-04T15:55:42.005411Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.814497 -1.971188 0.000000\n7.814497 1.971188 0.000000\n-1.465498 0.000000 9.810132\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.394778 0.394778 0.055646 Ho\n0.605222 0.605222 0.944354 Ho\n0.907268 0.907268 0.183161 N\n0.092732 0.092732 0.816839 N\n0.807061 0.807061 0.326063 Nd\n0.192939 0.192939 0.673937 Nd\n0.538370 0.538370 0.133366 O\n0.461630 0.461630 0.866634 O\n0.214360 0.214360 0.141952 Se\n0.625954 0.625954 0.463335 Se\n0.374046 0.374046 0.536665 Se\n0.785640 0.785640 0.858048 Se\n0.049757 0.049757 0.251596 Tb\n0.950243 0.950243 0.748404 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"Nd",
"O",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-Se-Tb",
"density": 7.208829379193586,
"density_atomic": 0.04632272650110035,
"volume": 302.2274606324704,
"volume_molar": 13.000402210472112,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2519480048888942,
"spacegroup": 12
}
]
}