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{
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{
"id": "oqmd-1558323",
"created_at": "2022-09-04T15:55:42.687565Z",
"updated_at": "2022-09-04T15:55:42.687590Z",
"structure_string": "Gd2 Dy2 Tm2 S4 N2 O2\n1.0\n7.528667 -1.911606 0.000000\n7.528667 1.911606 0.000000\n-1.456863 0.000000 9.339685\nDy Gd N O S Tm\n2 2 2 2 4 2\ndirect\n0.800730 0.800730 0.324959 Dy\n0.199270 0.199270 0.675041 Dy\n0.051815 0.051815 0.265989 Gd\n0.948185 0.948185 0.734011 Gd\n0.903230 0.903230 0.189001 N\n0.096770 0.096770 0.810999 N\n0.539502 0.539502 0.137067 O\n0.460498 0.460498 0.862933 O\n0.214966 0.214966 0.148015 S\n0.634702 0.634702 0.475092 S\n0.365298 0.365298 0.524908 S\n0.785034 0.785034 0.851985 S\n0.390320 0.390320 0.055161 Tm\n0.609680 0.609680 0.944839 Tm\n",
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"formula_full": "Gd2 Dy2 Tm2 S4 N2 O2",
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},
{
"id": "oqmd-1558584",
"created_at": "2022-09-04T15:55:42.668475Z",
"updated_at": "2022-09-04T15:55:42.668497Z",
"structure_string": "Dy2 Y2 Er2 Se4 N2 O2\n1.0\n7.712256 -1.943891 0.000000\n7.712256 1.943891 0.000000\n-1.206824 0.000000 9.561573\nDy Er N O Se Y\n2 2 2 2 4 2\ndirect\n0.802659 0.802659 0.324185 Dy\n0.197341 0.197341 0.675815 Dy\n0.393020 0.393020 0.055945 Er\n0.606980 0.606980 0.944055 Er\n0.902746 0.902746 0.185976 N\n0.097254 0.097254 0.814024 N\n0.536285 0.536285 0.136917 O\n0.463715 0.463715 0.863083 O\n0.212723 0.212723 0.148188 Se\n0.628085 0.628085 0.473288 Se\n0.371915 0.371915 0.526712 Se\n0.787277 0.787277 0.851812 Se\n0.044816 0.044816 0.259450 Y\n0.955184 0.955184 0.740550 Y\n",
"nsites": 14,
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"elements": [
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"O",
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"Y"
],
"chemical_system": "Dy-Er-N-O-Se-Y",
"density": 7.026876696320857,
"density_atomic": 0.048833218510962347,
"volume": 286.6900938928939,
"volume_molar": 12.332057856575881,
"formula_full": "Dy2 Y2 Er2 Se4 N2 O2",
"formula_reduced": "DyYErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3791629161269907,
"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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"elements": [
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"Se"
],
"chemical_system": "Dy-Ho-N-O-S-Se",
"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",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.487730326700326,
"spacegroup": 12
},
{
"id": "oqmd-1558189",
"created_at": "2022-09-04T15:55:42.667948Z",
"updated_at": "2022-09-04T15:55:42.667966Z",
"structure_string": "Nd2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.841494 -1.963683 0.000000\n7.841494 1.963683 0.000000\n-1.420126 0.000000 9.739682\nDy Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.045208 0.045208 0.262252 Dy\n0.954792 0.954792 0.737748 Dy\n0.805830 0.805830 0.331014 Ho\n0.194170 0.194170 0.668986 Ho\n0.903549 0.903549 0.198645 N\n0.096451 0.096451 0.801355 N\n0.388550 0.388550 0.055266 Nd\n0.611450 0.611450 0.944734 Nd\n0.536903 0.536903 0.144179 O\n0.463097 0.463097 0.855821 O\n0.213612 0.213612 0.159814 Se\n0.630717 0.630717 0.470479 Se\n0.369283 0.369283 0.529521 Se\n0.786388 0.786388 0.840186 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.303209043541174,
"density_atomic": 0.04667486470415765,
"volume": 299.9473075870089,
"volume_molar": 12.90232076337131,
"formula_full": "Nd2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "NdDyHoSe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558010",
"created_at": "2022-09-04T15:55:42.270232Z",
"updated_at": "2022-09-04T15:55:42.270254Z",
"structure_string": "Nd2 Ho4 Se2 S2 N2 O2\n1.0\n7.648511 -1.949914 0.000000\n7.648511 1.949914 0.000000\n-1.518077 0.000000 9.652112\nHo N Nd O S Se\n4 2 2 2 2 2\ndirect\n0.046641 0.046641 0.261836 Ho\n0.800638 0.800638 0.324520 Ho\n0.199362 0.199362 0.675480 Ho\n0.953359 0.953359 0.738164 Ho\n0.901680 0.901680 0.195007 N\n0.098320 0.098320 0.804993 N\n0.385095 0.385095 0.051448 Nd\n0.614905 0.614905 0.948552 Nd\n0.537946 0.537946 0.145344 O\n0.462054 0.462054 0.854656 O\n0.213173 0.213173 0.160703 S\n0.786827 0.786827 0.839297 S\n0.629870 0.629870 0.474173 Se\n0.370130 0.370130 0.525827 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Ho-N-Nd-O-S-Se",
"density": 7.095842060566321,
"density_atomic": 0.04862765583295481,
"volume": 287.9020129634183,
"volume_molar": 12.384188908236071,
"formula_full": "Nd2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "NdHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.4417117667003247,
"spacegroup": 12
},
{
"id": "oqmd-1558407",
"created_at": "2022-09-04T15:55:42.685103Z",
"updated_at": "2022-09-04T15:55:42.685131Z",
"structure_string": "Tb2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.770915 -1.958547 0.000000\n7.770915 1.958547 0.000000\n-1.201740 0.000000 9.634212\nDy Gd N O Se Tb\n2 2 2 2 4 2\ndirect\n0.392229 0.392229 0.055261 Dy\n0.607771 0.607771 0.944739 Dy\n0.044625 0.044625 0.261194 Gd\n0.955375 0.955375 0.738806 Gd\n0.902266 0.902266 0.186477 N\n0.097734 0.097734 0.813523 N\n0.535818 0.535818 0.138030 O\n0.464182 0.464182 0.861970 O\n0.212737 0.212737 0.148928 Se\n0.628509 0.628509 0.474505 Se\n0.371491 0.371491 0.525495 Se\n0.787263 0.787263 0.851072 Se\n0.802449 0.802449 0.324767 Tb\n0.197551 0.197551 0.675233 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Dy-Gd-N-O-Se-Tb",
"density": 7.549062070233204,
"density_atomic": 0.04773926022219472,
"volume": 293.25967630916875,
"volume_molar": 12.61465035689894,
"formula_full": "Tb2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "TbGdDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.282446057150799,
"spacegroup": 12
},
{
"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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],
"chemical_system": "Gd-N-Nd-O-S-Se",
"density": 6.428662497872998,
"density_atomic": 0.04618546217536159,
"volume": 303.12568805403305,
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"formula_full": "Nd4 Gd2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558207",
"created_at": "2022-09-04T15:55:42.590442Z",
"updated_at": "2022-09-04T15:55:42.590463Z",
"structure_string": "Tb2 Nd4 Se2 S2 N2 O2\n1.0\n7.741367 -1.998873 0.000000\n7.741367 1.998873 0.000000\n-1.186321 0.000000 9.755928\nN Nd O S Se Tb\n2 4 2 2 2 2\ndirect\n0.899137 0.899137 0.175347 N\n0.100863 0.100863 0.824653 N\n0.044283 0.044283 0.262649 Nd\n0.795029 0.795029 0.315700 Nd\n0.204971 0.204971 0.684300 Nd\n0.955717 0.955717 0.737351 Nd\n0.535400 0.535400 0.136849 O\n0.464600 0.464600 0.863151 O\n0.210751 0.210751 0.145407 S\n0.789249 0.789249 0.854593 S\n0.626076 0.626076 0.482222 Se\n0.373924 0.373924 0.517778 Se\n0.389378 0.389378 0.049242 Tb\n0.610622 0.610622 0.950758 Tb\n",
"nsites": 14,
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"density": 6.472620901338297,
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"formula_full": "Tb2 Nd4 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557916",
"created_at": "2022-09-04T15:55:41.823509Z",
"updated_at": "2022-09-04T15:55:41.823537Z",
"structure_string": "Tb2 Gd2 Tm2 S4 N2 O2\n1.0\n7.568043 -1.909883 0.000000\n7.568043 1.909883 0.000000\n-1.538199 0.000000 9.369536\nGd N O S Tb Tm\n2 2 2 4 2 2\ndirect\n0.612567 0.612567 0.444695 Gd\n0.387433 0.387433 0.555305 Gd\n0.096871 0.096871 0.301922 N\n0.903129 0.903129 0.698078 N\n0.460523 0.460523 0.358495 O\n0.539477 0.539477 0.641505 O\n0.363117 0.363117 0.025115 S\n0.784697 0.784697 0.342950 S\n0.215303 0.215303 0.657050 S\n0.636883 0.636883 0.974885 S\n0.948663 0.948663 0.231619 Tb\n0.051337 0.051337 0.768381 Tb\n0.198216 0.198216 0.170638 Tm\n0.801784 0.801784 0.829362 Tm\n",
"nsites": 14,
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"formula_full": "Tb2 Gd2 Tm2 S4 N2 O2",
"formula_reduced": "TbGdTmS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558093",
"created_at": "2022-09-04T15:55:41.836925Z",
"updated_at": "2022-09-04T15:55:41.836950Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.846595 -1.964717 0.000000\n7.846595 1.964717 0.000000\n-1.489242 0.000000 9.782448\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.046251 0.046251 0.258970 Ho\n0.953749 0.953749 0.741030 Ho\n0.904925 0.904925 0.198292 N\n0.095075 0.095075 0.801708 N\n0.388796 0.388796 0.055331 Nd\n0.611204 0.611204 0.944669 Nd\n0.537471 0.537471 0.143213 O\n0.462529 0.462529 0.856787 O\n0.213815 0.213815 0.158408 Se\n0.629131 0.629131 0.466723 Se\n0.370869 0.370869 0.533277 Se\n0.786185 0.786185 0.841592 Se\n0.807158 0.807158 0.332487 Tb\n0.192842 0.192842 0.667513 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-Nd-O-Se-Tb",
"density": 7.223370395862918,
"density_atomic": 0.046416164631314046,
"volume": 301.6190611870393,
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"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2452508006031806,
"spacegroup": 12
},
{
"id": "oqmd-1558260",
"created_at": "2022-09-04T15:55:42.260088Z",
"updated_at": "2022-09-04T15:55:42.260104Z",
"structure_string": "Nd2 Dy2 Ho2 S4 N2 O2\n1.0\n7.642182 -1.924467 0.000000\n7.642182 1.924467 0.000000\n-1.649094 0.000000 9.489237\nDy Ho N Nd O S\n2 2 2 2 2 4\ndirect\n0.947959 0.947959 0.231452 Dy\n0.052041 0.052041 0.768548 Dy\n0.196602 0.196602 0.166316 Ho\n0.803398 0.803398 0.833684 Ho\n0.095053 0.095053 0.295264 N\n0.904947 0.904947 0.704736 N\n0.613986 0.613986 0.444827 Nd\n0.386014 0.386014 0.555173 Nd\n0.459829 0.459829 0.354214 O\n0.540171 0.540171 0.645786 O\n0.363924 0.363924 0.028963 S\n0.784905 0.784905 0.337839 S\n0.215095 0.215095 0.662161 S\n0.636076 0.636076 0.971037 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.7322365183781345,
"density_atomic": 0.050157848782291445,
"volume": 279.11882865564183,
"volume_molar": 12.006377678075692,
"formula_full": "Nd2 Dy2 Ho2 S4 N2 O2",
"formula_reduced": "NdDyHoS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.521199524178424,
"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,
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"elements": [
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],
"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",
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"spacegroup": 12
}
]
}