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{
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"results": [
{
"id": "oqmd-1558041",
"created_at": "2022-09-04T15:55:41.261984Z",
"updated_at": "2022-09-04T15:55:41.261997Z",
"structure_string": "Nd4 Ho2 Se2 S2 N2 O2\n1.0\n7.723372 -1.977447 0.000000\n7.723372 1.977447 0.000000\n-1.720841 0.000000 9.884016\nHo N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.050040 0.050040 0.251526 Ho\n0.949960 0.949960 0.748474 Ho\n0.905453 0.905453 0.190542 N\n0.094547 0.094547 0.809458 N\n0.386164 0.386164 0.051139 Nd\n0.804730 0.804730 0.328535 Nd\n0.195270 0.195270 0.671465 Nd\n0.613836 0.613836 0.948861 Nd\n0.539347 0.539347 0.140089 O\n0.460653 0.460653 0.859911 O\n0.213808 0.213808 0.154516 S\n0.786192 0.786192 0.845484 S\n0.625563 0.625563 0.461400 Se\n0.374437 0.374437 0.538600 Se\n",
"nsites": 14,
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"volume": 301.9084309079835,
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"formula_full": "Nd4 Ho2 Se2 S2 N2 O2",
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{
"id": "oqmd-1557912",
"created_at": "2022-09-04T15:55:41.233984Z",
"updated_at": "2022-09-04T15:55:41.234010Z",
"structure_string": "Tb4 Dy2 Se2 S2 N2 O2\n1.0\n7.735665 -1.927789 0.000000\n7.735665 1.927789 0.000000\n-1.474510 0.000000 9.453916\nDy N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.193823 0.193823 0.165997 Dy\n0.806177 0.806177 0.834003 Dy\n0.094480 0.094480 0.301849 N\n0.905520 0.905520 0.698151 N\n0.461845 0.461845 0.359168 O\n0.538155 0.538155 0.640832 O\n0.366084 0.366084 0.029255 S\n0.633916 0.633916 0.970745 S\n0.785561 0.785561 0.348394 Se\n0.214439 0.214439 0.651606 Se\n0.949849 0.949849 0.232625 Tb\n0.607653 0.607653 0.441789 Tb\n0.392347 0.392347 0.558211 Tb\n0.050151 0.050151 0.767375 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
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],
"chemical_system": "Dy-N-O-S-Se-Tb",
"density": 7.318780718921075,
"density_atomic": 0.049651131377365085,
"volume": 281.96739151008165,
"volume_molar": 12.12890943859815,
"formula_full": "Tb4 Dy2 Se2 S2 N2 O2",
"formula_reduced": "Tb2DySeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.269925514462233,
"spacegroup": 12
},
{
"id": "oqmd-1558564",
"created_at": "2022-09-04T15:55:41.309782Z",
"updated_at": "2022-09-04T15:55:41.309813Z",
"structure_string": "Tb2 Nd2 Y2 Se4 N2 O2\n1.0\n7.843531 -1.972480 0.000000\n7.843531 1.972480 0.000000\n-1.337872 0.000000 9.742128\nN Nd O Se Tb Y\n2 2 2 4 2 2\ndirect\n0.096741 0.096741 0.303337 N\n0.903259 0.903259 0.696663 N\n0.611073 0.611073 0.445154 Nd\n0.388927 0.388927 0.554846 Nd\n0.463392 0.463392 0.355018 O\n0.536608 0.536608 0.644982 O\n0.369944 0.369944 0.027790 Se\n0.787334 0.787334 0.341808 Se\n0.212666 0.212666 0.658192 Se\n0.630056 0.630056 0.972210 Se\n0.955255 0.955255 0.236084 Tb\n0.044745 0.044745 0.763916 Tb\n0.195927 0.195927 0.169751 Y\n0.804073 0.804073 0.830249 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-Nd-O-Se-Tb-Y",
"density": 6.389965447092795,
"density_atomic": 0.04644296979506564,
"volume": 301.4449778249848,
"volume_molar": 12.966743484693835,
"formula_full": "Tb2 Nd2 Y2 Se4 N2 O2",
"formula_reduced": "TbNdYSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.243473464412705,
"spacegroup": 12
},
{
"id": "oqmd-1557930",
"created_at": "2022-09-04T15:55:41.305204Z",
"updated_at": "2022-09-04T15:55:41.305235Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.551794 -1.928549 0.000000\n7.551794 1.928549 0.000000\n-1.497754 0.000000 9.536087\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.389007 0.389007 0.053216 Ho\n0.049631 0.049631 0.255546 Ho\n0.950369 0.950369 0.744454 Ho\n0.610993 0.610993 0.946784 Ho\n0.903465 0.903465 0.185490 N\n0.096535 0.096535 0.814510 N\n0.539175 0.539175 0.136811 O\n0.460825 0.460825 0.863189 O\n0.213947 0.213947 0.147728 S\n0.786053 0.786053 0.852272 S\n0.629076 0.629076 0.471260 Se\n0.370924 0.370924 0.528740 Se\n0.800724 0.800724 0.320157 Tb\n0.199276 0.199276 0.679843 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.5303042138474545,
"density_atomic": 0.05040191330781037,
"volume": 277.7672330512607,
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"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558053",
"created_at": "2022-09-04T15:55:41.404533Z",
"updated_at": "2022-09-04T15:55:41.404555Z",
"structure_string": "Nd2 Sm2 Ho2 Se4 N2 O2\n1.0\n7.892914 -1.980651 0.000000\n7.892914 1.980651 0.000000\n-1.593786 0.000000 9.889280\nHo N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.048342 0.048342 0.254938 Ho\n0.951658 0.951658 0.745062 Ho\n0.906886 0.906886 0.195695 N\n0.093114 0.093114 0.804305 N\n0.389671 0.389671 0.054947 Nd\n0.610329 0.610329 0.945053 Nd\n0.538341 0.538341 0.141294 O\n0.461659 0.461659 0.858706 O\n0.214311 0.214311 0.154800 Se\n0.627610 0.627610 0.461825 Se\n0.372390 0.372390 0.538175 Se\n0.785689 0.785689 0.845200 Se\n0.808797 0.808797 0.333105 Sm\n0.191203 0.191203 0.666895 Sm\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
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"Sm"
],
"chemical_system": "Ho-N-Nd-O-Se-Sm",
"density": 6.954260881555553,
"density_atomic": 0.04527808372230811,
"volume": 309.2003647032068,
"volume_molar": 13.30034370918605,
"formula_full": "Nd2 Sm2 Ho2 Se4 N2 O2",
"formula_reduced": "NdSmHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3228238067222264,
"spacegroup": 12
},
{
"id": "oqmd-1558078",
"created_at": "2022-09-04T15:55:41.435423Z",
"updated_at": "2022-09-04T15:55:41.435443Z",
"structure_string": "Nd2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.903421 -2.004072 0.000000\n7.903421 2.004072 0.000000\n-1.084558 0.000000 9.790659\nGd N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.607534 0.607534 0.446884 Gd\n0.392466 0.392466 0.553116 Gd\n0.099561 0.099561 0.317997 N\n0.900439 0.900439 0.682003 N\n0.957148 0.957148 0.233700 Nd\n0.042852 0.042852 0.766300 Nd\n0.465796 0.465796 0.361179 O\n0.534204 0.534204 0.638821 O\n0.372341 0.372341 0.018695 Se\n0.788746 0.788746 0.352952 Se\n0.211254 0.211254 0.647048 Se\n0.627659 0.627659 0.981305 Se\n0.200401 0.200401 0.178431 Sm\n0.799599 0.799599 0.821569 Sm\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-Se-Sm",
"density": 6.850749783667171,
"density_atomic": 0.04513959709800688,
"volume": 310.14898005410345,
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"formula_full": "Nd2 Sm2 Gd2 Se4 N2 O2",
"formula_reduced": "NdSmGdSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3256085251746086,
"spacegroup": 12
},
{
"id": "oqmd-1557915",
"created_at": "2022-09-04T15:55:41.194924Z",
"updated_at": "2022-09-04T15:55:41.194942Z",
"structure_string": "Tb4 Dy2 Se2 S2 N2 O2\n1.0\n7.585133 -1.941314 0.000000\n7.585133 1.941314 0.000000\n-1.372411 0.000000 9.541803\nDy N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.200996 0.200996 0.180642 Dy\n0.799004 0.799004 0.819358 Dy\n0.098993 0.098993 0.314397 N\n0.901007 0.901007 0.685603 N\n0.462486 0.462486 0.360394 O\n0.537514 0.537514 0.639606 O\n0.786992 0.786992 0.347768 S\n0.213008 0.213008 0.652232 S\n0.371093 0.371093 0.022870 Se\n0.628907 0.628907 0.977130 Se\n0.952976 0.952976 0.239037 Tb\n0.612080 0.612080 0.448420 Tb\n0.387920 0.387920 0.551580 Tb\n0.047024 0.047024 0.760963 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-N-O-S-Se-Tb",
"density": 7.343755236805471,
"density_atomic": 0.049820560291304085,
"volume": 281.0084816015934,
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"formula_full": "Tb4 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558136",
"created_at": "2022-09-04T15:55:41.369035Z",
"updated_at": "2022-09-04T15:55:41.369061Z",
"structure_string": "Nd2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.871234 -1.978053 0.000000\n7.871234 1.978053 0.000000\n-1.336490 0.000000 9.759740\nDy Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.804223 0.804223 0.328947 Dy\n0.195777 0.195777 0.671053 Dy\n0.044422 0.044422 0.264870 Gd\n0.955578 0.955578 0.735130 Gd\n0.902451 0.902451 0.195817 N\n0.097549 0.097549 0.804183 N\n0.388948 0.388948 0.054412 Nd\n0.611052 0.611052 0.945588 Nd\n0.536157 0.536157 0.144692 O\n0.463843 0.463843 0.855308 O\n0.212813 0.212813 0.158559 Se\n0.630196 0.630196 0.474395 Se\n0.369804 0.369804 0.525605 Se\n0.787187 0.787187 0.841441 Se\n",
"nsites": 14,
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"formula_full": "Nd2 Gd2 Dy2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558017",
"created_at": "2022-09-04T15:55:41.372848Z",
"updated_at": "2022-09-04T15:55:41.372875Z",
"structure_string": "Nd2 Dy4 Se2 S2 N2 O2\n1.0\n7.848584 -1.940386 0.000000\n7.848584 1.940386 0.000000\n-1.642761 0.000000 9.610859\nDy N Nd O S Se\n4 2 2 2 2 2\ndirect\n0.189969 0.189969 0.160655 Dy\n0.948227 0.948227 0.233553 Dy\n0.051773 0.051773 0.766447 Dy\n0.810031 0.810031 0.839345 Dy\n0.091916 0.091916 0.292546 N\n0.908084 0.908084 0.707454 N\n0.609886 0.609886 0.440972 Nd\n0.390114 0.390114 0.559028 Nd\n0.460272 0.460272 0.355153 O\n0.539728 0.539728 0.644847 O\n0.364663 0.364663 0.033295 S\n0.635337 0.635337 0.966705 S\n0.783865 0.783865 0.340103 Se\n0.216135 0.216135 0.659897 Se\n",
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"formula_full": "Nd2 Dy4 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557905",
"created_at": "2022-09-04T15:55:41.182659Z",
"updated_at": "2022-09-04T15:55:41.182670Z",
"structure_string": "Tb2 Dy2 Tm2 S4 N2 O2\n1.0\n7.540777 -1.902237 0.000000\n7.540777 1.902237 0.000000\n-1.548536 0.000000 9.337524\nDy N O S Tb Tm\n2 2 2 4 2 2\ndirect\n0.948662 0.948662 0.233049 Dy\n0.051338 0.051338 0.766951 Dy\n0.096574 0.096574 0.302574 N\n0.903426 0.903426 0.697426 N\n0.460377 0.460377 0.358961 O\n0.539623 0.539623 0.641039 O\n0.363746 0.363746 0.026064 S\n0.784769 0.784769 0.344074 S\n0.215231 0.215231 0.655926 S\n0.636254 0.636254 0.973936 S\n0.612249 0.612249 0.444597 Tb\n0.387751 0.387751 0.555403 Tb\n0.197999 0.197999 0.170894 Tm\n0.802001 0.802001 0.829106 Tm\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.246327105922703,
"density_atomic": 0.05226194714254218,
"volume": 267.88133174249344,
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"formula_full": "Tb2 Dy2 Tm2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557782",
"created_at": "2022-09-04T15:55:41.396993Z",
"updated_at": "2022-09-04T15:55:41.397027Z",
"structure_string": "Dy2 Er2 Tm2 S4 N2 O2\n1.0\n7.498469 -1.893608 0.000000\n7.498469 1.893608 0.000000\n-1.498078 0.000000 9.284068\nDy Er N O S Tm\n2 2 2 2 4 2\ndirect\n0.052856 0.052856 0.264520 Dy\n0.947144 0.947144 0.735480 Dy\n0.801880 0.801880 0.326621 Er\n0.198120 0.198120 0.673379 Er\n0.904509 0.904509 0.192955 N\n0.095491 0.095491 0.807045 N\n0.540143 0.540143 0.137360 O\n0.459857 0.459857 0.862640 O\n0.215739 0.215739 0.150208 S\n0.635886 0.635886 0.472659 S\n0.364114 0.364114 0.527341 S\n0.784261 0.784261 0.849792 S\n0.390199 0.390199 0.056795 Tm\n0.609801 0.609801 0.943205 Tm\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.467543687900063,
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"volume": 263.6519504199508,
"volume_molar": 11.341065407696322,
"formula_full": "Dy2 Er2 Tm2 S4 N2 O2",
"formula_reduced": "DyErTmS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.582822980845092,
"spacegroup": 12
},
{
"id": "oqmd-1558073",
"created_at": "2022-09-04T15:55:41.427888Z",
"updated_at": "2022-09-04T15:55:41.427910Z",
"structure_string": "Nd2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.828991 -1.969876 0.000000\n7.828991 1.969876 0.000000\n-1.638934 0.000000 9.870087\nGd Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.393350 0.393350 0.055967 Gd\n0.606650 0.606650 0.944033 Gd\n0.051384 0.051384 0.249544 Ho\n0.948616 0.948616 0.750456 Ho\n0.909398 0.909398 0.188493 N\n0.090602 0.090602 0.811507 N\n0.810334 0.810334 0.329682 Nd\n0.189666 0.189666 0.670318 Nd\n0.539736 0.539736 0.135445 O\n0.460264 0.460264 0.864555 O\n0.215396 0.215396 0.145444 Se\n0.627163 0.627163 0.458278 Se\n0.372837 0.372837 0.541722 Se\n0.784604 0.784604 0.854556 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-Ho-N-Nd-O-Se",
"density": 7.138262129539163,
"density_atomic": 0.04598671383435518,
"volume": 304.4357561714065,
"volume_molar": 13.095392686008921,
"formula_full": "Nd2 Gd2 Ho2 Se4 N2 O2",
"formula_reduced": "NdGdHoSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}