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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-elements&page=62",
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"results": [
{
"id": "oqmd-1558502",
"created_at": "2022-09-04T15:55:43.828445Z",
"updated_at": "2022-09-04T15:55:43.828473Z",
"structure_string": "Tb2 Gd4 Se2 S2 N2 O2\n1.0\n7.633942 -1.953403 0.000000\n7.633942 1.953403 0.000000\n-1.406589 0.000000 9.628108\nGd N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.201066 0.201066 0.178613 Gd\n0.612282 0.612282 0.448083 Gd\n0.387718 0.387718 0.551917 Gd\n0.798934 0.798934 0.821387 Gd\n0.098589 0.098589 0.313884 N\n0.901411 0.901411 0.686116 N\n0.462567 0.462567 0.360675 O\n0.537433 0.537433 0.639325 O\n0.787317 0.787317 0.348067 S\n0.212683 0.212683 0.651933 S\n0.371865 0.371865 0.025758 Se\n0.628135 0.628135 0.974242 Se\n0.953016 0.953016 0.240880 Tb\n0.046984 0.046984 0.759120 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"volume": 287.1518742079624,
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"formula_full": "Tb2 Gd4 Se2 S2 N2 O2",
"formula_reduced": "TbGd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.373233109986041,
"spacegroup": 12
},
{
"id": "oqmd-1558526",
"created_at": "2022-09-04T15:55:44.331591Z",
"updated_at": "2022-09-04T15:55:44.331618Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.619710 -1.950585 0.000000\n7.619710 1.950585 0.000000\n-1.386624 0.000000 9.610439\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.798698 0.798698 0.320718 Gd\n0.201302 0.201302 0.679282 Gd\n0.901317 0.901317 0.184763 N\n0.098683 0.098683 0.815237 N\n0.537453 0.537453 0.138440 O\n0.462547 0.462547 0.861560 O\n0.212662 0.212662 0.150896 S\n0.787338 0.787338 0.849104 S\n0.627986 0.627986 0.474399 Se\n0.372014 0.372014 0.525601 Se\n0.388189 0.388189 0.052090 Tb\n0.046990 0.046990 0.258664 Tb\n0.953010 0.953010 0.741336 Tb\n0.611811 0.611811 0.947910 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"density": 7.162690280616777,
"density_atomic": 0.04900625219075724,
"volume": 285.6778344425296,
"volume_molar": 12.288515221606353,
"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.283701578152709,
"spacegroup": 12
},
{
"id": "oqmd-1558497",
"created_at": "2022-09-04T15:55:41.137968Z",
"updated_at": "2022-09-04T15:55:41.137994Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.624690 -1.949571 0.000000\n7.624690 1.949571 0.000000\n-1.394246 0.000000 9.606800\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.612508 0.612508 0.447906 Gd\n0.387492 0.387492 0.552094 Gd\n0.098827 0.098827 0.313207 N\n0.901173 0.901173 0.686793 N\n0.462568 0.462568 0.360443 O\n0.537432 0.537432 0.639557 O\n0.787027 0.787027 0.347124 S\n0.212973 0.212973 0.652876 S\n0.371207 0.371207 0.024898 Se\n0.628793 0.628793 0.975102 Se\n0.201043 0.201043 0.178801 Tb\n0.953099 0.953099 0.240152 Tb\n0.046901 0.046901 0.759848 Tb\n0.798957 0.798957 0.821199 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
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],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.1644478406275836,
"density_atomic": 0.04901827720171758,
"volume": 285.60775284671666,
"volume_molar": 12.285500641358704,
"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.284098283152709,
"spacegroup": 12
},
{
"id": "oqmd-1558378",
"created_at": "2022-09-04T15:55:43.709102Z",
"updated_at": "2022-09-04T15:55:43.709129Z",
"structure_string": "Tb2 Gd4 Se2 S2 N2 O2\n1.0\n7.790643 -1.940021 0.000000\n7.790643 1.940021 0.000000\n-1.451207 0.000000 9.527130\nGd N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.949636 0.949636 0.232794 Gd\n0.607798 0.607798 0.441301 Gd\n0.392202 0.392202 0.558699 Gd\n0.050364 0.050364 0.767206 Gd\n0.094490 0.094490 0.301454 N\n0.905510 0.905510 0.698546 N\n0.461576 0.461576 0.359332 O\n0.538424 0.538424 0.640668 O\n0.366070 0.366070 0.029144 S\n0.633930 0.633930 0.970856 S\n0.785300 0.785300 0.348573 Se\n0.214700 0.214700 0.651427 Se\n0.193926 0.193926 0.165636 Tb\n0.806074 0.806074 0.834364 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"S",
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],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.085954819645153,
"density_atomic": 0.04861342435310946,
"volume": 287.98629568469227,
"volume_molar": 12.387814354029983,
"formula_full": "Tb2 Gd4 Se2 S2 N2 O2",
"formula_reduced": "TbGd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.353001899271755,
"spacegroup": 12
},
{
"id": "oqmd-1558514",
"created_at": "2022-09-04T15:55:44.239936Z",
"updated_at": "2022-09-04T15:55:44.239969Z",
"structure_string": "Tb2 Gd4 Se2 S2 N2 O2\n1.0\n7.789685 -1.938462 0.000000\n7.789685 1.938462 0.000000\n-1.519941 0.000000 9.551786\nGd N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.192403 0.192403 0.164317 Gd\n0.607566 0.607566 0.440966 Gd\n0.392434 0.392434 0.559034 Gd\n0.807597 0.807597 0.835683 Gd\n0.092978 0.092978 0.300993 N\n0.907022 0.907022 0.699007 N\n0.460833 0.460833 0.360365 O\n0.539167 0.539167 0.639635 O\n0.366940 0.366940 0.032786 S\n0.633060 0.633060 0.967214 S\n0.784766 0.784766 0.349163 Se\n0.215234 0.215234 0.650837 Se\n0.948546 0.948546 0.235848 Tb\n0.051454 0.051454 0.764152 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.074217905046823,
"density_atomic": 0.0485329028673694,
"volume": 288.4640969912549,
"volume_molar": 12.408367116340212,
"formula_full": "Tb2 Gd4 Se2 S2 N2 O2",
"formula_reduced": "TbGd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3527600114146128,
"spacegroup": 12
},
{
"id": "oqmd-1558462",
"created_at": "2022-09-04T15:55:43.670953Z",
"updated_at": "2022-09-04T15:55:43.670970Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.776103 -1.935940 0.000000\n7.776103 1.935940 0.000000\n-1.505489 0.000000 9.530684\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.192595 0.192595 0.165267 Gd\n0.807405 0.807405 0.834733 Gd\n0.093041 0.093041 0.302466 N\n0.906959 0.906959 0.697534 N\n0.460820 0.460820 0.360862 O\n0.539180 0.539180 0.639138 O\n0.367114 0.367114 0.032237 S\n0.632886 0.632886 0.967763 S\n0.784802 0.784802 0.350447 Se\n0.215198 0.215198 0.649553 Se\n0.948504 0.948504 0.235949 Tb\n0.607031 0.607031 0.440918 Tb\n0.392969 0.392969 0.559082 Tb\n0.051496 0.051496 0.764051 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.130906692731434,
"density_atomic": 0.04878879276386406,
"volume": 286.95114609126483,
"volume_molar": 12.343287092892293,
"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2633839174384227,
"spacegroup": 12
},
{
"id": "oqmd-1558459",
"created_at": "2022-09-04T15:55:43.011452Z",
"updated_at": "2022-09-04T15:55:43.011474Z",
"structure_string": "Tb2 Gd4 Se2 S2 N2 O2\n1.0\n7.630213 -1.954936 0.000000\n7.630213 1.954936 0.000000\n-1.339203 0.000000 9.616343\nGd N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.201698 0.201698 0.180272 Gd\n0.953157 0.953157 0.240527 Gd\n0.046843 0.046843 0.759473 Gd\n0.798302 0.798302 0.819728 Gd\n0.099187 0.099187 0.316253 N\n0.900813 0.900813 0.683747 N\n0.462670 0.462670 0.361874 O\n0.537330 0.537330 0.638126 O\n0.787240 0.787240 0.349626 S\n0.212760 0.212760 0.650374 S\n0.371641 0.371641 0.024010 Se\n0.628359 0.628359 0.975990 Se\n0.612005 0.612005 0.448168 Tb\n0.387995 0.387995 0.551832 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
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],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.113135037709281,
"density_atomic": 0.048799895126405715,
"volume": 286.88586243343326,
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"formula_full": "Tb2 Gd4 Se2 S2 N2 O2",
"formula_reduced": "TbGd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3735806807003264,
"spacegroup": 12
},
{
"id": "oqmd-1558445",
"created_at": "2022-09-04T15:55:43.549138Z",
"updated_at": "2022-09-04T15:55:43.549186Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.782124 -1.934865 0.000000\n7.782124 1.934865 0.000000\n-1.498299 0.000000 9.524847\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.392317 0.392317 0.059314 Gd\n0.607683 0.607683 0.940686 Gd\n0.906595 0.906595 0.199865 N\n0.093405 0.093405 0.800135 N\n0.539030 0.539030 0.140200 O\n0.460970 0.460970 0.859800 O\n0.633742 0.633742 0.468486 S\n0.366258 0.366258 0.531514 S\n0.215187 0.215187 0.151687 Se\n0.784813 0.784813 0.848313 Se\n0.051138 0.051138 0.265459 Tb\n0.807163 0.807163 0.335461 Tb\n0.192837 0.192837 0.664539 Tb\n0.948862 0.948862 0.734541 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
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],
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"density": 7.133717357782005,
"density_atomic": 0.04880802299090106,
"volume": 286.83808812764084,
"volume_molar": 12.338423871670987,
"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.263147977438424,
"spacegroup": 12
},
{
"id": "oqmd-1558404",
"created_at": "2022-09-04T15:55:42.900945Z",
"updated_at": "2022-09-04T15:55:42.900975Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.774960 -1.937447 0.000000\n7.774960 1.937447 0.000000\n-1.425149 0.000000 9.503482\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.049659 0.049659 0.267313 Gd\n0.950341 0.950341 0.732687 Gd\n0.904911 0.904911 0.196220 N\n0.095089 0.095089 0.803780 N\n0.537993 0.537993 0.140500 O\n0.462007 0.462007 0.859500 O\n0.633105 0.633105 0.472101 S\n0.366895 0.366895 0.527899 S\n0.214330 0.214330 0.150656 Se\n0.785670 0.785670 0.849344 Se\n0.392409 0.392409 0.058059 Tb\n0.805700 0.805700 0.333471 Tb\n0.194300 0.194300 0.666529 Tb\n0.607591 0.607591 0.941941 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
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],
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"density": 7.14680563181708,
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"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
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"formation_energy": -2.263369536009852,
"spacegroup": 12
},
{
"id": "oqmd-1558521",
"created_at": "2022-09-04T15:55:43.364786Z",
"updated_at": "2022-09-04T15:55:43.364820Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.620458 -1.951654 0.000000\n7.620458 1.951654 0.000000\n-1.321762 0.000000 9.594487\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.046715 0.046715 0.260322 Gd\n0.953285 0.953285 0.739678 Gd\n0.900504 0.900504 0.184370 N\n0.099496 0.099496 0.815630 N\n0.537355 0.537355 0.138428 O\n0.462645 0.462645 0.861572 O\n0.212991 0.212991 0.151345 S\n0.787009 0.787009 0.848655 S\n0.629082 0.629082 0.476932 Se\n0.370918 0.370918 0.523068 Se\n0.387834 0.387834 0.052032 Tb\n0.798239 0.798239 0.319460 Tb\n0.201761 0.201761 0.680540 Tb\n0.612166 0.612166 0.947968 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
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],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.169965454293441,
"density_atomic": 0.04905602804060725,
"volume": 285.3879647249708,
"volume_molar": 12.276046391312063,
"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.284546403152709,
"spacegroup": 12
},
{
"id": "oqmd-1558673",
"created_at": "2022-09-04T15:55:42.904788Z",
"updated_at": "2022-09-04T15:55:42.904800Z",
"structure_string": "Nd2 Gd2 Y2 Se4 N2 O2\n1.0\n7.804175 -1.986958 0.000000\n7.804175 1.986958 0.000000\n-0.719872 0.000000 9.609539\nGd N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.206124 0.206124 0.178637 Gd\n0.793876 0.793876 0.821363 Gd\n0.105607 0.105607 0.322545 N\n0.894393 0.894393 0.677455 N\n0.965921 0.965921 0.227090 Nd\n0.034079 0.034079 0.772910 Nd\n0.469118 0.469118 0.357595 O\n0.530882 0.530882 0.642405 O\n0.376302 0.376302 0.007554 Se\n0.792160 0.792160 0.348767 Se\n0.207840 0.207840 0.651233 Se\n0.623698 0.623698 0.992446 Se\n0.609554 0.609554 0.449634 Y\n0.390446 0.390446 0.550366 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-Se-Y",
"density": 6.444690049007742,
"density_atomic": 0.046976407340860914,
"volume": 298.0219389366234,
"volume_molar": 12.819500470317651,
"formula_full": "Nd2 Gd2 Y2 Se4 N2 O2",
"formula_reduced": "NdGdYSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.33482551410318,
"spacegroup": 12
},
{
"id": "oqmd-1558622",
"created_at": "2022-09-04T15:55:44.165871Z",
"updated_at": "2022-09-04T15:55:44.165897Z",
"structure_string": "Nd2 Gd2 Y2 Se4 N2 O2\n1.0\n7.857505 -1.976422 0.000000\n7.857505 1.976422 0.000000\n-1.309684 0.000000 9.746848\nGd N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.044596 0.044596 0.264782 Gd\n0.955404 0.955404 0.735218 Gd\n0.902660 0.902660 0.195983 N\n0.097340 0.097340 0.804017 N\n0.388913 0.388913 0.054668 Nd\n0.611087 0.611087 0.945332 Nd\n0.536401 0.536401 0.144641 O\n0.463599 0.463599 0.855359 O\n0.212729 0.212729 0.157856 Se\n0.630464 0.630464 0.473520 Se\n0.369536 0.369536 0.526480 Se\n0.787271 0.787271 0.842144 Se\n0.803541 0.803541 0.329460 Y\n0.196459 0.196459 0.670540 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-Se-Y",
"density": 6.3444172398191805,
"density_atomic": 0.04624550231768148,
"volume": 302.7321425514552,
"volume_molar": 13.022111250151777,
"formula_full": "Nd2 Gd2 Y2 Se4 N2 O2",
"formula_reduced": "NdGdYSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3351886519603227,
"spacegroup": 12
}
]
}