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{
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"results": [
{
"id": "oqmd-1558075",
"created_at": "2022-09-04T15:55:42.491517Z",
"updated_at": "2022-09-04T15:55:42.491537Z",
"structure_string": "Nd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.759765 -1.974584 0.000000\n7.759765 1.974584 0.000000\n-0.660576 0.000000 9.539796\nEr Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.391895 0.391895 0.052108 Er\n0.608105 0.608105 0.947892 Er\n0.794780 0.794780 0.318805 Ho\n0.205220 0.205220 0.681195 Ho\n0.895248 0.895248 0.176739 N\n0.104752 0.104752 0.823261 N\n0.035491 0.035491 0.273642 Nd\n0.964509 0.964509 0.726358 Nd\n0.531472 0.531472 0.140325 O\n0.468528 0.468528 0.859675 O\n0.209481 0.209481 0.150587 Se\n0.626683 0.626683 0.493229 Se\n0.373317 0.373317 0.506771 Se\n0.790519 0.790519 0.849413 Se\n",
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"density_atomic": 0.047888889856209746,
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"formula_reduced": "NdHoErSe2NO",
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},
{
"id": "oqmd-1557997",
"created_at": "2022-09-04T15:55:40.823612Z",
"updated_at": "2022-09-04T15:55:40.823638Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.728100 -1.924411 0.000000\n7.728100 1.924411 0.000000\n-1.462032 0.000000 9.432994\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.193864 0.193864 0.166164 Ho\n0.806136 0.806136 0.833836 Ho\n0.094697 0.094697 0.301261 N\n0.905303 0.905303 0.698739 N\n0.461833 0.461833 0.358891 O\n0.538167 0.538167 0.641109 O\n0.365441 0.365441 0.028297 S\n0.634559 0.634559 0.971703 S\n0.785438 0.785438 0.347577 Se\n0.214562 0.214562 0.652423 Se\n0.949981 0.949981 0.231905 Tb\n0.607806 0.607806 0.441598 Tb\n0.392194 0.392194 0.558402 Tb\n0.050019 0.050019 0.768095 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"density_atomic": 0.04989740017783289,
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"volume_molar": 12.069047161850646,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558553",
"created_at": "2022-09-04T15:55:42.492909Z",
"updated_at": "2022-09-04T15:55:42.492930Z",
"structure_string": "Gd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.745802 -1.952459 0.000000\n7.745802 1.952459 0.000000\n-1.302876 0.000000 9.626922\nGd Ho N O Se Y\n2 2 2 2 4 2\ndirect\n0.803862 0.803862 0.325090 Gd\n0.196138 0.196138 0.674910 Gd\n0.393176 0.393176 0.055673 Ho\n0.606824 0.606824 0.944327 Ho\n0.904067 0.904067 0.186168 N\n0.095933 0.095933 0.813832 N\n0.536892 0.536892 0.136870 O\n0.463108 0.463108 0.863130 O\n0.213132 0.213132 0.146397 Se\n0.627030 0.627030 0.471033 Se\n0.372970 0.372970 0.528967 Se\n0.786868 0.786868 0.853603 Se\n0.046395 0.046395 0.257927 Y\n0.953605 0.953605 0.742073 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"Se",
"Y"
],
"chemical_system": "Gd-Ho-N-O-Se-Y",
"density": 6.832018737466559,
"density_atomic": 0.048079757979481066,
"volume": 291.182830121041,
"volume_molar": 12.525314213457692,
"formula_full": "Gd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "GdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.371084666007941,
"spacegroup": 12
},
{
"id": "oqmd-1557781",
"created_at": "2022-09-04T15:55:40.826731Z",
"updated_at": "2022-09-04T15:55:40.826745Z",
"structure_string": "Tb2 Dy2 Er2 S4 N2 O2\n1.0\n7.543535 -1.905781 0.000000\n7.543535 1.905781 0.000000\n-1.514325 0.000000 9.328993\nDy Er N O S Tb\n2 2 2 2 4 2\ndirect\n0.611101 0.611101 0.443974 Dy\n0.388899 0.388899 0.556026 Dy\n0.198219 0.198219 0.172092 Er\n0.801781 0.801781 0.827908 Er\n0.096167 0.096167 0.304565 N\n0.903833 0.903833 0.695435 N\n0.460004 0.460004 0.360232 O\n0.539996 0.539996 0.639768 O\n0.363383 0.363383 0.025925 S\n0.784553 0.784553 0.346868 S\n0.215447 0.215447 0.653132 S\n0.636617 0.636617 0.974075 S\n0.947606 0.947606 0.232798 Tb\n0.052394 0.052394 0.767202 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Er",
"N",
"O",
"S",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Tb",
"density": 7.216077844811252,
"density_atomic": 0.0521933737433404,
"volume": 268.23328319116996,
"volume_molar": 11.538132770672624,
"formula_full": "Tb2 Dy2 Er2 S4 N2 O2",
"formula_reduced": "TbDyErS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558447",
"created_at": "2022-09-04T15:55:40.895230Z",
"updated_at": "2022-09-04T15:55:40.895246Z",
"structure_string": "Sm2 Gd2 Er2 Se4 N2 O2\n1.0\n7.810175 -1.967663 0.000000\n7.810175 1.967663 0.000000\n-1.156982 0.000000 9.627840\nEr Gd N O Se Sm\n2 2 2 2 4 2\ndirect\n0.801096 0.801096 0.322887 Er\n0.198904 0.198904 0.677113 Er\n0.390875 0.390875 0.055340 Gd\n0.609125 0.609125 0.944660 Gd\n0.900159 0.900159 0.188538 N\n0.099841 0.099841 0.811462 N\n0.535229 0.535229 0.140727 O\n0.464771 0.464771 0.859273 O\n0.213230 0.213230 0.152985 Se\n0.631707 0.631707 0.480737 Se\n0.368293 0.368293 0.519263 Se\n0.786770 0.786770 0.847015 Se\n0.043260 0.043260 0.267662 Sm\n0.956740 0.956740 0.732338 Sm\n",
"nsites": 14,
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"elements": [
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"N",
"O",
"Se",
"Sm"
],
"chemical_system": "Er-Gd-N-O-Se-Sm",
"density": 7.438545740317319,
"density_atomic": 0.04731051671830235,
"volume": 295.9172922028987,
"volume_molar": 12.728968478313618,
"formula_full": "Sm2 Gd2 Er2 Se4 N2 O2",
"formula_reduced": "SmGdErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.361030657317465,
"spacegroup": 12
},
{
"id": "oqmd-1558080",
"created_at": "2022-09-04T15:55:42.507425Z",
"updated_at": "2022-09-04T15:55:42.507455Z",
"structure_string": "Nd2 Dy2 Er2 Se4 N2 O2\n1.0\n7.779913 -1.958412 0.000000\n7.779913 1.958412 0.000000\n-1.605481 0.000000 9.822681\nDy Er N Nd O Se\n2 2 2 2 2 4\ndirect\n0.393856 0.393856 0.056041 Dy\n0.606144 0.606144 0.943959 Dy\n0.051274 0.051274 0.247948 Er\n0.948726 0.948726 0.752052 Er\n0.908807 0.908807 0.186203 N\n0.091193 0.091193 0.813797 N\n0.810123 0.810123 0.329660 Nd\n0.189877 0.189877 0.670340 Nd\n0.539455 0.539455 0.133881 O\n0.460545 0.460545 0.866119 O\n0.214953 0.214953 0.143666 Se\n0.624988 0.624988 0.457567 Se\n0.375012 0.375012 0.542433 Se\n0.785047 0.785047 0.856334 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
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],
"chemical_system": "Dy-Er-N-Nd-O-Se",
"density": 7.3443001446839125,
"density_atomic": 0.04677235074554509,
"volume": 299.3221374774167,
"volume_molar": 12.87542888909339,
"formula_full": "Nd2 Dy2 Er2 Se4 N2 O2",
"formula_reduced": "NdDyErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.348874522555562,
"spacegroup": 12
},
{
"id": "oqmd-1557891",
"created_at": "2022-09-04T15:55:41.017921Z",
"updated_at": "2022-09-04T15:55:41.017948Z",
"structure_string": "Tb2 Nd2 Gd2 S4 N2 O2\n1.0\n7.679298 -1.941517 0.000000\n7.679298 1.941517 0.000000\n-1.660924 0.000000 9.568229\nGd N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.196882 0.196882 0.166350 Gd\n0.803118 0.803118 0.833650 Gd\n0.095237 0.095237 0.298623 N\n0.904763 0.904763 0.701377 N\n0.613800 0.613800 0.445814 Nd\n0.386200 0.386200 0.554186 Nd\n0.460225 0.460225 0.355283 O\n0.539775 0.539775 0.644717 O\n0.365761 0.365761 0.030341 S\n0.785548 0.785548 0.340664 S\n0.214452 0.214452 0.659336 S\n0.634239 0.634239 0.969659 S\n0.948199 0.948199 0.233087 Tb\n0.051801 0.051801 0.766913 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
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],
"chemical_system": "Gd-N-Nd-O-S-Tb",
"density": 6.45502947161777,
"density_atomic": 0.049068610556881484,
"volume": 285.3147835472307,
"volume_molar": 12.272898481645399,
"formula_full": "Tb2 Nd2 Gd2 S4 N2 O2",
"formula_reduced": "TbNdGdS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1557880",
"created_at": "2022-09-04T15:55:41.029259Z",
"updated_at": "2022-09-04T15:55:41.029272Z",
"structure_string": "Tb2 Ho2 Tm2 S4 N2 O2\n1.0\n7.516029 -1.895998 0.000000\n7.516029 1.895998 0.000000\n-1.663237 0.000000 9.363226\nHo N O S Tb Tm\n2 2 2 4 2 2\ndirect\n0.389451 0.389451 0.055730 Ho\n0.610549 0.610549 0.944270 Ho\n0.906663 0.906663 0.194434 N\n0.093337 0.093337 0.805566 N\n0.541154 0.541154 0.138457 O\n0.458846 0.458846 0.861543 O\n0.215359 0.215359 0.150889 S\n0.632233 0.632233 0.465092 S\n0.367767 0.367767 0.534908 S\n0.784641 0.784641 0.849111 S\n0.805012 0.805012 0.330849 Tb\n0.194988 0.194988 0.669151 Tb\n0.053756 0.053756 0.259282 Tm\n0.946244 0.946244 0.740718 Tm\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.05246216535277301,
"volume": 266.8589812459961,
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"formula_full": "Tb2 Ho2 Tm2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558540",
"created_at": "2022-09-04T15:55:42.483621Z",
"updated_at": "2022-09-04T15:55:42.483641Z",
"structure_string": "Sm2 Y2 Er2 Se4 N2 O2\n1.0\n7.785361 -1.958199 0.000000\n7.785361 1.958199 0.000000\n-1.306497 0.000000 9.640222\nEr N O Se Sm Y\n2 2 2 4 2 2\ndirect\n0.195787 0.195787 0.171862 Er\n0.804213 0.804213 0.828138 Er\n0.097233 0.097233 0.304275 N\n0.902767 0.902767 0.695725 N\n0.463553 0.463553 0.357069 O\n0.536447 0.536447 0.642931 O\n0.369360 0.369360 0.026109 Se\n0.786984 0.786984 0.342626 Se\n0.213016 0.213016 0.657374 Se\n0.630640 0.630640 0.973891 Se\n0.610064 0.610064 0.444660 Sm\n0.389936 0.389936 0.555340 Sm\n0.955176 0.955176 0.235934 Y\n0.044824 0.044824 0.764066 Y\n",
"nsites": 14,
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],
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"density_atomic": 0.04762943449806097,
"volume": 293.93588539393534,
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"formula_full": "Sm2 Y2 Er2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558336",
"created_at": "2022-09-04T15:55:42.468287Z",
"updated_at": "2022-09-04T15:55:42.468311Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.560154 -1.915341 0.000000\n7.560154 1.915341 0.000000\n-1.861234 0.000000 9.566181\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.390551 0.390551 0.054331 Ho\n0.609449 0.609449 0.945669 Ho\n0.908887 0.908887 0.189596 N\n0.091113 0.091113 0.810404 N\n0.807895 0.807895 0.331994 Nd\n0.192105 0.192105 0.668006 Nd\n0.541726 0.541726 0.135535 O\n0.458274 0.458274 0.864465 O\n0.215241 0.215241 0.145692 S\n0.628944 0.628944 0.457326 S\n0.371056 0.371056 0.542674 S\n0.784759 0.784759 0.854308 S\n0.055590 0.055590 0.252448 Tm\n0.944410 0.944410 0.747552 Tm\n",
"nsites": 14,
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"elements": [
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"Nd",
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"Tm"
],
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"density": 6.859839651536299,
"density_atomic": 0.05053388628316625,
"volume": 277.04182341233576,
"volume_molar": 11.917034692829638,
"formula_full": "Nd2 Ho2 Tm2 S4 N2 O2",
"formula_reduced": "NdHoTmS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.531819959654613,
"spacegroup": 12
},
{
"id": "oqmd-1558024",
"created_at": "2022-09-04T15:55:40.936177Z",
"updated_at": "2022-09-04T15:55:40.936193Z",
"structure_string": "Tb2 Nd2 Sm2 Se4 N2 O2\n1.0\n7.886058 -2.001914 0.000000\n7.886058 2.001914 0.000000\n-1.061873 0.000000 9.762671\nN Nd O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.099573 0.099573 0.319469 N\n0.900427 0.900427 0.680531 N\n0.957351 0.957351 0.233729 Nd\n0.042649 0.042649 0.766271 Nd\n0.465772 0.465772 0.361879 O\n0.534228 0.534228 0.638121 O\n0.372652 0.372652 0.017916 Se\n0.788822 0.788822 0.354126 Se\n0.211178 0.211178 0.645874 Se\n0.627348 0.627348 0.982084 Se\n0.200672 0.200672 0.179156 Sm\n0.799328 0.799328 0.820844 Sm\n0.607027 0.607027 0.446881 Tb\n0.392973 0.392973 0.553119 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "N-Nd-O-Se-Sm-Tb",
"density": 6.9109890557467,
"density_atomic": 0.04541758132135094,
"volume": 308.25067281640025,
"volume_molar": 13.259492436179059,
"formula_full": "Tb2 Nd2 Sm2 Se4 N2 O2",
"formula_reduced": "TbNdSmSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.234569289769848,
"spacegroup": 12
},
{
"id": "oqmd-1558533",
"created_at": "2022-09-04T15:55:42.474513Z",
"updated_at": "2022-09-04T15:55:42.474536Z",
"structure_string": "Gd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.727828 -1.947645 0.000000\n7.727828 1.947645 0.000000\n-1.132456 0.000000 9.563014\nEr Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.392779 0.392779 0.055806 Er\n0.607221 0.607221 0.944194 Er\n0.044493 0.044493 0.261936 Gd\n0.955507 0.955507 0.738064 Gd\n0.802094 0.802094 0.323062 Ho\n0.197906 0.197906 0.676938 Ho\n0.901853 0.901853 0.185088 N\n0.098147 0.098147 0.814912 N\n0.535993 0.535993 0.137163 O\n0.464007 0.464007 0.862837 O\n0.213301 0.213301 0.148765 Se\n0.629510 0.629510 0.476844 Se\n0.370490 0.370490 0.523156 Se\n0.786699 0.786699 0.851235 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.814659866983615,
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"volume": 287.8671014271734,
"volume_molar": 12.382687178340252,
"formula_full": "Gd2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "GdHoErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.384098581007941,
"spacegroup": 12
}
]
}