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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=30",
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"results": [
{
"id": "oqmd-1558028",
"created_at": "2022-09-04T15:55:42.297881Z",
"updated_at": "2022-09-04T15:55:42.297909Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.819807 -1.964951 0.000000\n7.819807 1.964951 0.000000\n-1.197934 0.000000 9.539036\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.606902 0.606902 0.443859 Dy\n0.393098 0.393098 0.556141 Dy\n0.197681 0.197681 0.171022 Gd\n0.802319 0.802319 0.828978 Gd\n0.098403 0.098403 0.311486 N\n0.901597 0.901597 0.688514 N\n0.953129 0.953129 0.227609 Nd\n0.046871 0.046871 0.772391 Nd\n0.464189 0.464189 0.361197 O\n0.535811 0.535811 0.638803 O\n0.367165 0.367165 0.019638 S\n0.632835 0.632835 0.980362 S\n0.786652 0.786652 0.350638 Se\n0.213348 0.213348 0.649362 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"Nd",
"O",
"S",
"Se"
],
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"density": 6.854389931928692,
"density_atomic": 0.04775796280470343,
"volume": 293.1448323549767,
"volume_molar": 12.609710310773371,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4173479334860395,
"spacegroup": 12
},
{
"id": "oqmd-1558151",
"created_at": "2022-09-04T15:55:42.525651Z",
"updated_at": "2022-09-04T15:55:42.525682Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.647497 -1.961858 0.000000\n7.647497 1.961858 0.000000\n-1.617246 0.000000 9.768085\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050681 0.050681 0.249925 Dy\n0.949319 0.949319 0.750075 Dy\n0.905149 0.905149 0.182109 N\n0.094851 0.094851 0.817891 N\n0.803281 0.803281 0.322951 Nd\n0.196719 0.196719 0.677049 Nd\n0.539341 0.539341 0.135007 O\n0.460659 0.460659 0.864993 O\n0.213844 0.213844 0.146365 S\n0.786156 0.786156 0.853635 S\n0.625365 0.625365 0.464105 Se\n0.374635 0.374635 0.535895 Se\n0.389219 0.389219 0.051642 Tb\n0.610781 0.610781 0.948358 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.874255466453081,
"density_atomic": 0.047764113848387545,
"volume": 293.10708127944514,
"volume_molar": 12.608086437268426,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3454625302241365,
"spacegroup": 12
},
{
"id": "oqmd-1558153",
"created_at": "2022-09-04T15:55:42.808425Z",
"updated_at": "2022-09-04T15:55:42.808451Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.798393 -1.943270 0.000000\n7.798393 1.943270 0.000000\n-1.761071 0.000000 9.685535\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.944648 0.944648 0.244973 Ho\n0.055352 0.055352 0.755027 Ho\n0.088260 0.088260 0.305328 N\n0.911740 0.911740 0.694672 N\n0.186991 0.186991 0.162824 Nd\n0.813009 0.813009 0.837176 Nd\n0.458706 0.458706 0.363916 O\n0.541294 0.541294 0.636084 O\n0.369477 0.369477 0.043580 S\n0.630523 0.630523 0.956420 S\n0.783186 0.783186 0.354028 Se\n0.216814 0.216814 0.645972 Se\n0.605477 0.605477 0.441528 Tb\n0.394523 0.394523 0.558472 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.891223431947093,
"density_atomic": 0.04769097061545134,
"volume": 293.55661709816735,
"volume_molar": 12.627423351389906,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3293183761765164,
"spacegroup": 12
},
{
"id": "oqmd-1558224",
"created_at": "2022-09-04T15:55:43.069488Z",
"updated_at": "2022-09-04T15:55:43.069519Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.852148 -1.945208 0.000000\n7.852148 1.945208 0.000000\n-1.587541 0.000000 9.618080\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.191276 0.191276 0.160910 Dy\n0.808724 0.808724 0.839090 Dy\n0.093277 0.093277 0.293331 N\n0.906723 0.906723 0.706669 N\n0.610210 0.610210 0.441213 Nd\n0.389790 0.389790 0.558787 Nd\n0.461155 0.461155 0.355372 O\n0.538845 0.538845 0.644628 O\n0.365060 0.365060 0.031572 S\n0.634940 0.634940 0.968428 S\n0.784445 0.784445 0.340062 Se\n0.215555 0.215555 0.659938 Se\n0.949235 0.949235 0.232326 Tb\n0.050765 0.050765 0.767674 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.857709343166559,
"density_atomic": 0.04764914708285728,
"volume": 293.81428329987415,
"volume_molar": 12.638506938073997,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3221920416527086,
"spacegroup": 12
},
{
"id": "oqmd-1558468",
"created_at": "2022-09-04T15:55:43.671412Z",
"updated_at": "2022-09-04T15:55:43.671435Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.606582 -1.944091 0.000000\n7.606582 1.944091 0.000000\n-1.355676 0.000000 9.567290\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.387091 0.387091 0.052234 Gd\n0.612909 0.612909 0.947766 Gd\n0.798779 0.798779 0.320521 Ho\n0.201221 0.201221 0.679479 Ho\n0.900588 0.900588 0.187560 N\n0.099412 0.099412 0.812440 N\n0.537546 0.537546 0.140084 O\n0.462454 0.462454 0.859916 O\n0.213243 0.213243 0.154488 S\n0.786757 0.786757 0.845512 S\n0.630208 0.630208 0.476857 Se\n0.369792 0.369792 0.523143 Se\n0.046599 0.046599 0.261195 Tb\n0.953401 0.953401 0.738805 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.301967373520987,
"density_atomic": 0.0494769546484562,
"volume": 282.96001844642296,
"volume_molar": 12.17160757526111,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3841184558193738,
"spacegroup": 12
},
{
"id": "oqmd-1558489",
"created_at": "2022-09-04T15:55:44.189860Z",
"updated_at": "2022-09-04T15:55:44.189891Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.736647 -1.927193 0.000000\n7.736647 1.927193 0.000000\n-1.361764 0.000000 9.428168\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607405 0.607405 0.441697 Dy\n0.392595 0.392595 0.558303 Dy\n0.951025 0.951025 0.231072 Gd\n0.048975 0.048975 0.768928 Gd\n0.195041 0.195041 0.167597 Ho\n0.804959 0.804959 0.832403 Ho\n0.095737 0.095737 0.303826 N\n0.904263 0.904263 0.696174 N\n0.462295 0.462295 0.359747 O\n0.537705 0.537705 0.640253 O\n0.366122 0.366122 0.025450 S\n0.633878 0.633878 0.974550 S\n0.785778 0.785778 0.348492 Se\n0.214222 0.214222 0.651508 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-Ho-N-O-S-Se",
"density": 7.391249711204792,
"density_atomic": 0.04979580254104471,
"volume": 281.148194939932,
"volume_molar": 12.09367145962993,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4594694182479446,
"spacegroup": 12
},
{
"id": "oqmd-109072",
"created_at": "2022-09-04T15:33:35.703399Z",
"updated_at": "2022-09-04T15:33:35.703426Z",
"structure_string": "Ag2 H28 C6 S6 N12 Cl2 O2\n1.0\n6.026220 -0.027725 0.014642\n-2.203315 9.591898 0.038584\n-0.419035 -1.979928 10.660728\nAg C Cl H N O S\n2 6 2 28 12 2 6\ndirect\n0.625195 0.534105 0.388518 Ag\n0.374806 0.465894 0.611482 Ag\n0.686296 0.693004 0.142310 C\n0.889646 0.315460 0.205419 C\n0.582429 0.184114 0.453797 C\n0.417571 0.815887 0.546203 C\n0.110353 0.684540 0.794582 C\n0.313704 0.306996 0.857689 C\n0.234453 0.954138 0.103910 Cl\n0.765547 0.045863 0.896090 Cl\n0.651882 0.220779 0.059134 H\n0.807171 0.881294 0.080330 H\n0.980367 0.150034 0.092799 H\n0.519862 0.847934 0.115903 H\n0.030042 0.732566 0.120741 H\n0.596141 0.371467 0.153972 H\n0.916689 0.579572 0.181778 H\n0.166401 0.232430 0.226906 H\n0.059249 0.958570 0.279728 H\n0.506823 0.060264 0.281251 H\n0.740754 0.030643 0.367176 H\n0.318519 0.711401 0.368174 H\n0.112659 0.064602 0.404996 H\n0.167899 0.841270 0.422788 H\n0.832101 0.158729 0.577211 H\n0.887341 0.935398 0.595005 H\n0.681480 0.288599 0.631825 H\n0.259246 0.969356 0.632824 H\n0.493175 0.939735 0.718749 H\n0.940752 0.041430 0.720271 H\n0.833599 0.767570 0.773093 H\n0.083311 0.420428 0.818223 H\n0.403858 0.628533 0.846027 H\n0.969958 0.267434 0.879260 H\n0.480138 0.152066 0.884096 H\n0.019633 0.849967 0.907201 H\n0.192829 0.118705 0.919670 H\n0.348118 0.779221 0.940867 H\n0.668597 0.814702 0.107119 N\n0.692900 0.297846 0.137125 N\n0.888972 0.659744 0.138353 N\n0.026211 0.228755 0.169548 N\n0.609029 0.081465 0.362501 N\n0.284009 0.782993 0.440581 N\n0.715991 0.217006 0.559419 N\n0.390971 0.918536 0.637499 N\n0.973790 0.771245 0.830451 N\n0.111028 0.340256 0.861645 N\n0.307098 0.702153 0.862875 N\n0.331405 0.185298 0.892881 N\n0.013157 0.970492 0.366813 O\n0.986845 0.029509 0.633187 O\n0.447026 0.583675 0.185092 S\n0.973956 0.444536 0.335651 S\n0.367827 0.270889 0.430571 S\n0.632173 0.729111 0.569429 S\n0.026044 0.555464 0.664349 S\n0.552973 0.416324 0.814908 S\n",
"nsites": 58,
"nelements": 7,
"elements": [
"Ag",
"C",
"Cl",
"H",
"N",
"O",
"S"
],
"chemical_system": "Ag-C-Cl-H-N-O-S",
"density": 2.1004858719804576,
"density_atomic": 0.09413243801641237,
"volume": 616.1531691114541,
"volume_molar": 6.397519162257345,
"formula_full": "Ag2 H28 C6 S6 N12 Cl2 O2",
"formula_reduced": "AgH14C3S3N6ClO",
"formula_anonymous": "ABCD3E3F6G14",
"formation_energy": -0.443407090730257,
"spacegroup": 2
},
{
"id": "oqmd-645165",
"created_at": "2022-09-04T15:21:58.547567Z",
"updated_at": "2022-09-04T15:21:58.547584Z",
"structure_string": "Na2 Mn2 H12 C6 S6 N6 O6\n1.0\n9.956820 -0.000049 -0.000074\n-4.978452 8.622787 0.000013\n-0.000048 -0.000018 6.200759\nC H Mn N Na O S\n6 12 2 6 2 6 6\ndirect\n0.586959 0.979410 0.220741 C\n0.020592 0.607548 0.220741 C\n0.392454 0.413045 0.220743 C\n0.607546 0.586956 0.779256 C\n0.413042 0.020590 0.779258 C\n0.979408 0.392451 0.779259 C\n0.702678 0.809145 0.236534 H\n0.190852 0.893529 0.236534 H\n0.106469 0.297321 0.236535 H\n0.270971 0.074740 0.256465 H\n0.803770 0.729028 0.256465 H\n0.925260 0.196232 0.256468 H\n0.196230 0.270972 0.743533 H\n0.074740 0.803768 0.743534 H\n0.729029 0.925260 0.743537 H\n0.297321 0.190855 0.763465 H\n0.893531 0.702678 0.763466 H\n0.809149 0.106472 0.763466 H\n0.666668 0.333335 0.033379 Mn\n0.333333 0.666667 0.966620 Mn\n0.516741 0.856311 0.136609 N\n0.143688 0.660424 0.136611 N\n0.339580 0.483267 0.136612 N\n0.660421 0.516733 0.863388 N\n0.856312 0.339575 0.863389 N\n0.483259 0.143689 0.863392 N\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.169286 0.979072 0.243809 O\n0.020929 0.190214 0.243812 O\n0.809787 0.830714 0.243814 O\n0.190212 0.169284 0.756188 O\n0.979071 0.809786 0.756188 O\n0.830715 0.020928 0.756192 O\n0.853086 0.537525 0.338681 S\n0.462474 0.315558 0.338686 S\n0.684441 0.146918 0.338687 S\n0.537526 0.684442 0.661313 S\n0.315559 0.853082 0.661313 S\n0.146914 0.462474 0.661318 S\n",
"nsites": 40,
"nelements": 7,
"elements": [
"C",
"H",
"Mn",
"N",
"Na",
"O",
"S"
],
"chemical_system": "C-H-Mn-N-Na-O-S",
"density": 1.9103015333375266,
"density_atomic": 0.07513599789816373,
"volume": 532.367987635093,
"volume_molar": 8.014987394141174,
"formula_full": "Na2 Mn2 H12 C6 S6 N6 O6",
"formula_reduced": "NaMnH6C3S3(NO)3",
"formula_anonymous": "ABC3D3E3F3G6",
"formation_energy": -0.704693433468771,
"spacegroup": 147
},
{
"id": "oqmd-1558395",
"created_at": "2022-09-04T15:55:43.854407Z",
"updated_at": "2022-09-04T15:55:43.854440Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.590524 -1.944077 0.000000\n7.590524 1.944077 0.000000\n-1.285346 0.000000 9.529215\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.954281 0.954281 0.236903 Gd\n0.045719 0.045719 0.763097 Gd\n0.202686 0.202686 0.181578 Ho\n0.797314 0.797314 0.818422 Ho\n0.100268 0.100268 0.315111 N\n0.899732 0.899732 0.684889 N\n0.463164 0.463164 0.360181 O\n0.536836 0.536836 0.639819 O\n0.787175 0.787175 0.347382 S\n0.212825 0.212825 0.652618 S\n0.369677 0.369677 0.020328 Se\n0.630323 0.630323 0.979672 Se\n0.612393 0.612393 0.448279 Tb\n0.387607 0.387607 0.551721 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.346705344203722,
"density_atomic": 0.04978009193095905,
"volume": 281.23692538408454,
"volume_molar": 12.097488225518388,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.384224517962231,
"spacegroup": 12
},
{
"id": "oqmd-1558519",
"created_at": "2022-09-04T15:55:43.960863Z",
"updated_at": "2022-09-04T15:55:43.960885Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.747925 -1.924952 0.000000\n7.747925 1.924952 0.000000\n-1.582734 0.000000 9.512109\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.605995 0.605995 0.440920 Dy\n0.394005 0.394005 0.559080 Dy\n0.190301 0.190301 0.165271 Gd\n0.809699 0.809699 0.834729 Gd\n0.946852 0.946852 0.238465 Ho\n0.053148 0.053148 0.761535 Ho\n0.090842 0.090842 0.302830 N\n0.909158 0.909158 0.697170 N\n0.459656 0.459656 0.361402 O\n0.540344 0.540344 0.638598 O\n0.367146 0.367146 0.035260 S\n0.632854 0.632854 0.964740 S\n0.784015 0.784015 0.351572 Se\n0.215985 0.215985 0.648428 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Gd",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-Ho-N-O-S-Se",
"density": 7.323877101930268,
"density_atomic": 0.049341904583433654,
"volume": 283.7344873124424,
"volume_molar": 12.204921579014016,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4598809589622306,
"spacegroup": 12
},
{
"id": "oqmd-1558471",
"created_at": "2022-09-04T15:55:43.133454Z",
"updated_at": "2022-09-04T15:55:43.133489Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.766012 -1.931620 0.000000\n7.766012 1.931620 0.000000\n-1.561710 0.000000 9.533269\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.052623 0.052623 0.262559 Dy\n0.947377 0.947377 0.737441 Dy\n0.808815 0.808815 0.335767 Gd\n0.191185 0.191185 0.664233 Gd\n0.908105 0.908105 0.198372 N\n0.091895 0.091895 0.801628 N\n0.539727 0.539727 0.138889 O\n0.460273 0.460273 0.861111 O\n0.632921 0.632921 0.465520 S\n0.367079 0.367079 0.534480 S\n0.215844 0.215844 0.149736 Se\n0.784156 0.784156 0.850264 Se\n0.393163 0.393163 0.059498 Tb\n0.606837 0.606837 0.940502 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.195707734586835,
"density_atomic": 0.04894816796296772,
"volume": 286.0168333693685,
"volume_molar": 12.303097359141445,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3604220505812785,
"spacegroup": 12
},
{
"id": "oqmd-1558220",
"created_at": "2022-09-04T15:55:42.753155Z",
"updated_at": "2022-09-04T15:55:42.753176Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.690644 -1.964417 0.000000\n7.690644 1.964417 0.000000\n-1.521340 0.000000 9.726956\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.047172 0.047172 0.259352 Dy\n0.952828 0.952828 0.740648 Dy\n0.800672 0.800672 0.325666 Gd\n0.199328 0.199328 0.674334 Gd\n0.902065 0.902065 0.192823 N\n0.097935 0.097935 0.807177 N\n0.385383 0.385383 0.051545 Nd\n0.614617 0.614617 0.948455 Nd\n0.537861 0.537861 0.143445 O\n0.462139 0.462139 0.856555 O\n0.212681 0.212681 0.158866 S\n0.787319 0.787319 0.841134 S\n0.628446 0.628446 0.471499 Se\n0.371554 0.371554 0.528501 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.836718690916516,
"density_atomic": 0.04763483843049162,
"volume": 293.9025398486171,
"volume_molar": 12.642303319213438,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4320220863431823,
"spacegroup": 12
}
]
}