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{
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"results": [
{
"id": "oqmd-1558389",
"created_at": "2022-09-04T15:55:43.422453Z",
"updated_at": "2022-09-04T15:55:43.422475Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.771168 -1.931884 0.000000\n7.771168 1.931884 0.000000\n-1.474679 0.000000 9.501814\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806788 0.806788 0.335080 Dy\n0.193212 0.193212 0.664920 Dy\n0.391988 0.391988 0.059032 Gd\n0.608012 0.608012 0.940968 Gd\n0.905762 0.905762 0.199807 N\n0.094238 0.094238 0.800193 N\n0.538541 0.538541 0.141248 O\n0.461459 0.461459 0.858752 O\n0.633989 0.633989 0.470434 S\n0.366011 0.366011 0.529566 S\n0.214898 0.214898 0.152844 Se\n0.785102 0.785102 0.847156 Se\n0.050269 0.050269 0.266990 Tb\n0.949731 0.949731 0.733010 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density": 7.213752629710859,
"density_atomic": 0.04907091677239467,
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"volume_molar": 12.272321684822924,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558529",
"created_at": "2022-09-04T15:55:43.409232Z",
"updated_at": "2022-09-04T15:55:43.409260Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.755761 -1.924840 0.000000\n7.755761 1.924840 0.000000\n-1.504474 0.000000 9.480698\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948735 0.948735 0.233841 Dy\n0.051265 0.051265 0.766159 Dy\n0.607963 0.607963 0.440113 Gd\n0.392037 0.392037 0.559887 Gd\n0.192260 0.192260 0.164195 Ho\n0.807740 0.807740 0.835805 Ho\n0.093275 0.093275 0.297996 N\n0.906725 0.906725 0.702004 N\n0.460819 0.460819 0.358753 O\n0.539181 0.539181 0.641247 O\n0.365309 0.365309 0.030690 S\n0.634691 0.634691 0.969310 S\n0.784470 0.784470 0.346359 Se\n0.215530 0.215530 0.653641 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density": 7.3411451927023075,
"density_atomic": 0.0494582419380006,
"volume": 283.06707742563896,
"volume_molar": 12.176212748421545,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.45926613253366,
"spacegroup": 12
},
{
"id": "oqmd-1557727",
"created_at": "2022-09-04T15:55:41.117992Z",
"updated_at": "2022-09-04T15:55:41.118021Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.779006 -1.949896 0.000000\n7.779006 1.949896 0.000000\n-1.156544 0.000000 9.453431\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198330 0.198330 0.172959 Dy\n0.801670 0.801670 0.827041 Dy\n0.605758 0.605758 0.442035 Er\n0.394242 0.394242 0.557965 Er\n0.097900 0.097900 0.311090 N\n0.902100 0.902100 0.688910 N\n0.952004 0.952004 0.226105 Nd\n0.047996 0.047996 0.773895 Nd\n0.463407 0.463407 0.362135 O\n0.536593 0.536593 0.637865 O\n0.364590 0.364590 0.017887 S\n0.635410 0.635410 0.982113 S\n0.785964 0.785964 0.353071 Se\n0.214036 0.214036 0.646929 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-N-Nd-O-S-Se",
"density": 7.122326312813664,
"density_atomic": 0.048817218038646575,
"volume": 286.78406026571975,
"volume_molar": 12.336099847460623,
"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.426449319557469,
"spacegroup": 12
},
{
"id": "oqmd-1557564",
"created_at": "2022-09-04T15:55:50.147384Z",
"updated_at": "2022-09-04T15:55:50.147410Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.555843 -1.927818 0.000000\n7.555843 1.927818 0.000000\n-1.550848 0.000000 9.558022\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.388712 0.388712 0.053457 Dy\n0.611288 0.611288 0.946543 Dy\n0.050439 0.050439 0.254498 Er\n0.949561 0.949561 0.745502 Er\n0.904215 0.904215 0.187418 N\n0.095785 0.095785 0.812582 N\n0.539808 0.539808 0.137580 O\n0.460192 0.460192 0.862420 O\n0.214413 0.214413 0.149087 S\n0.785587 0.785587 0.850913 S\n0.628660 0.628660 0.469332 Se\n0.371340 0.371340 0.530668 Se\n0.801971 0.801971 0.321432 Tb\n0.198029 0.198029 0.678568 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Er",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.510631669850729,
"density_atomic": 0.05027835475465917,
"volume": 278.44984324397876,
"volume_molar": 11.97760107582268,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.391586824509851,
"spacegroup": 12
},
{
"id": "oqmd-1557554",
"created_at": "2022-09-04T15:55:50.087978Z",
"updated_at": "2022-09-04T15:55:50.088003Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.587660 -1.948679 0.000000\n7.587660 1.948679 0.000000\n-1.623027 0.000000 9.716807\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.390855 0.390855 0.052284 Er\n0.609145 0.609145 0.947716 Er\n0.051528 0.051528 0.248600 Ho\n0.948472 0.948472 0.751400 Ho\n0.905818 0.905818 0.179724 N\n0.094182 0.094182 0.820276 N\n0.803010 0.803010 0.321050 Nd\n0.196990 0.196990 0.678950 Nd\n0.539765 0.539765 0.133377 O\n0.460235 0.460235 0.866623 O\n0.213744 0.213744 0.142150 S\n0.786256 0.786256 0.857850 S\n0.624720 0.624720 0.463763 Se\n0.375280 0.375280 0.536237 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.136542959541918,
"density_atomic": 0.04872213337274892,
"volume": 287.3437395052661,
"volume_molar": 12.360174612896325,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.44611320193842,
"spacegroup": 12
},
{
"id": "oqmd-70513",
"created_at": "2022-09-04T15:33:37.500507Z",
"updated_at": "2022-09-04T15:33:37.500533Z",
"structure_string": "Sb4 P4 C12 S12 N12 Cl12 O4\n1.0\n-6.935927 -6.935927 6.935927\n-6.935927 6.935927 -6.935927\n6.935927 -6.935927 -6.935927\nC Cl N O P S Sb\n12 12 12 4 4 12 4\ndirect\n0.772366 0.483606 0.000000 C\n0.483606 0.772366 0.000000 C\n0.711240 0.227634 0.227634 C\n0.227634 0.711240 0.227634 C\n0.516395 0.516395 0.288760 C\n0.772366 0.000000 0.483606 C\n0.000000 0.772366 0.483606 C\n0.516395 0.288760 0.516395 C\n0.288760 0.516395 0.516395 C\n0.227634 0.227634 0.711240 C\n0.483606 0.000000 0.772366 C\n0.000000 0.483606 0.772366 C\n0.375347 0.178448 0.000000 Cl\n0.178448 0.375347 0.000000 Cl\n0.375347 0.000000 0.178448 Cl\n0.000000 0.375347 0.178448 Cl\n0.821552 0.821552 0.196899 Cl\n0.178448 0.000000 0.375347 Cl\n0.000000 0.178448 0.375347 Cl\n0.803101 0.624653 0.624653 Cl\n0.624653 0.803101 0.624653 Cl\n0.624653 0.624653 0.803101 Cl\n0.821552 0.196899 0.821552 Cl\n0.196899 0.821552 0.821552 Cl\n0.869141 0.558423 0.000000 N\n0.558423 0.869141 0.000000 N\n0.689281 0.130858 0.130858 N\n0.130858 0.689281 0.130858 N\n0.441578 0.441578 0.310718 N\n0.441578 0.310718 0.441578 N\n0.310718 0.441578 0.441578 N\n0.869141 0.000000 0.558423 N\n0.000000 0.869141 0.558423 N\n0.130858 0.130858 0.689281 N\n0.558423 0.000000 0.869141 N\n0.000000 0.558423 0.869141 N\n0.779194 0.000000 0.000000 O\n0.000000 0.779194 0.000000 O\n0.220805 0.220805 0.220805 O\n0.000000 0.000000 0.779194 O\n0.654711 0.000000 0.000000 P\n0.000000 0.654711 0.000000 P\n0.345289 0.345289 0.345289 P\n0.000000 0.000000 0.654711 P\n0.647607 0.388740 0.000000 S\n0.388740 0.647607 0.000000 S\n0.611259 0.611259 0.258867 S\n0.741132 0.352393 0.352393 S\n0.352393 0.741132 0.352393 S\n0.647607 0.000000 0.388740 S\n0.000000 0.647607 0.388740 S\n0.611259 0.258867 0.611259 S\n0.258867 0.611259 0.611259 S\n0.388740 0.000000 0.647607 S\n0.000000 0.388740 0.647607 S\n0.352393 0.352393 0.741132 S\n0.209379 0.000000 0.000000 Sb\n0.000000 0.209379 0.000000 Sb\n0.000000 0.000000 0.209379 Sb\n0.790621 0.790621 0.790621 Sb\n",
"nsites": 60,
"nelements": 7,
"elements": [
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"Cl",
"N",
"O",
"P",
"S",
"Sb"
],
"chemical_system": "C-Cl-N-O-P-S-Sb",
"density": 2.236196796848611,
"density_atomic": 0.044954970634212756,
"volume": 1334.668873175446,
"volume_molar": 13.395939703755205,
"formula_full": "Sb4 P4 C12 S12 N12 Cl12 O4",
"formula_reduced": "SbPC3S3N3Cl3O",
"formula_anonymous": "ABCD3E3F3G3",
"formation_energy": -0.504452283817777,
"spacegroup": 217
},
{
"id": "oqmd-1558109",
"created_at": "2022-09-04T15:55:41.173996Z",
"updated_at": "2022-09-04T15:55:41.174030Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.814801 -1.945123 0.000000\n7.814801 1.945123 0.000000\n-1.811239 0.000000 9.715417\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.605734 0.605734 0.441258 Gd\n0.394266 0.394266 0.558742 Gd\n0.943794 0.943794 0.244943 Ho\n0.056206 0.056206 0.755057 Ho\n0.087394 0.087394 0.303496 N\n0.912606 0.912606 0.696504 N\n0.185896 0.185896 0.162059 Nd\n0.814104 0.814104 0.837941 Nd\n0.458170 0.458170 0.363570 O\n0.541830 0.541830 0.636430 O\n0.368669 0.368669 0.044300 S\n0.631331 0.631331 0.955700 S\n0.782489 0.782489 0.352872 Se\n0.217511 0.217511 0.647128 Se\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 6.830234910259913,
"density_atomic": 0.047399264370535606,
"volume": 295.36323371091595,
"volume_molar": 12.70513549097081,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557903",
"created_at": "2022-09-04T15:55:40.464503Z",
"updated_at": "2022-09-04T15:55:40.464521Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.709667 -1.919272 0.000000\n7.709667 1.919272 0.000000\n-1.556461 0.000000 9.458708\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606626 0.606626 0.440684 Dy\n0.393374 0.393374 0.559316 Dy\n0.947650 0.947650 0.237198 Ho\n0.052350 0.052350 0.762802 Ho\n0.091989 0.091989 0.302068 N\n0.908011 0.908011 0.697932 N\n0.460122 0.460122 0.360884 O\n0.539878 0.539878 0.639116 O\n0.367621 0.367621 0.033611 S\n0.632379 0.632379 0.966389 S\n0.784460 0.784460 0.350096 Se\n0.215540 0.215540 0.649904 Se\n0.191227 0.191227 0.164862 Tb\n0.808773 0.808773 0.835138 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.443556471111495,
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"volume": 279.9200208922238,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557771",
"created_at": "2022-09-04T15:55:39.878987Z",
"updated_at": "2022-09-04T15:55:39.879005Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.527872 -1.920936 0.000000\n7.527872 1.920936 0.000000\n-1.511763 0.000000 9.508977\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050685 0.050685 0.254887 Er\n0.949315 0.949315 0.745113 Er\n0.389132 0.389132 0.054284 Ho\n0.610868 0.610868 0.945716 Ho\n0.904390 0.904390 0.187364 N\n0.095610 0.095610 0.812636 N\n0.539949 0.539949 0.136842 O\n0.460051 0.460051 0.863158 O\n0.214447 0.214447 0.148075 S\n0.785553 0.785553 0.851925 S\n0.629868 0.629868 0.469516 Se\n0.370132 0.370132 0.530484 Se\n0.801303 0.801303 0.320997 Y\n0.198697 0.198697 0.679003 Y\n",
"nsites": 14,
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"elements": [
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"Y"
],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.788347415840896,
"density_atomic": 0.05090718954670534,
"volume": 275.0102711357804,
"volume_molar": 11.829646880181675,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4884709705098493,
"spacegroup": 12
},
{
"id": "oqmd-1557754",
"created_at": "2022-09-04T15:55:40.068445Z",
"updated_at": "2022-09-04T15:55:40.068466Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.564812 -1.960369 0.000000\n7.564812 1.960369 0.000000\n-0.511487 0.000000 9.429800\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.214514 0.214514 0.187382 Dy\n0.785486 0.785486 0.812618 Dy\n0.612725 0.612725 0.454047 Er\n0.387275 0.387275 0.545953 Er\n0.110185 0.110185 0.330463 N\n0.889815 0.889815 0.669537 N\n0.970075 0.970075 0.223831 Nd\n0.029925 0.029925 0.776169 Nd\n0.470845 0.470845 0.357393 O\n0.529155 0.529155 0.642607 O\n0.794208 0.794208 0.345966 S\n0.205792 0.205792 0.654034 S\n0.623481 0.623481 0.002784 Se\n0.376519 0.376519 0.997216 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Er-N-Nd-O-S-Se",
"density": 7.303119941892778,
"density_atomic": 0.05005639771437624,
"volume": 279.6845286367698,
"volume_molar": 12.03071142746342,
"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.453106303843183,
"spacegroup": 12
},
{
"id": "oqmd-1557730",
"created_at": "2022-09-04T15:55:40.416245Z",
"updated_at": "2022-09-04T15:55:40.416258Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.707982 -1.922120 0.000000\n7.707982 1.922120 0.000000\n-1.401618 0.000000 9.404483\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.606301 0.606301 0.440879 Er\n0.393699 0.393699 0.559121 Er\n0.948996 0.948996 0.232352 Gd\n0.051004 0.051004 0.767648 Gd\n0.194473 0.194473 0.168689 Ho\n0.805527 0.805527 0.831311 Ho\n0.094712 0.094712 0.305057 N\n0.905288 0.905288 0.694943 N\n0.461471 0.461471 0.361752 O\n0.538529 0.538529 0.638248 O\n0.364538 0.364538 0.027387 S\n0.635462 0.635462 0.972613 S\n0.784829 0.784829 0.351875 Se\n0.215171 0.215171 0.648125 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Er-Gd-Ho-N-O-S-Se",
"density": 7.513766552783482,
"density_atomic": 0.050239108575459275,
"volume": 278.6673648671923,
"volume_molar": 11.986957831775078,
"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.462998048724135,
"spacegroup": 12
},
{
"id": "oqmd-1558084",
"created_at": "2022-09-04T15:55:39.319293Z",
"updated_at": "2022-09-04T15:55:39.319312Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672929 -1.956121 0.000000\n7.672929 1.956121 0.000000\n-1.543232 0.000000 9.697019\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952722 0.952722 0.240945 Ho\n0.047278 0.047278 0.759055 Ho\n0.097615 0.097615 0.305579 N\n0.902385 0.902385 0.694421 N\n0.614781 0.614781 0.448176 Nd\n0.385219 0.385219 0.551824 Nd\n0.462013 0.462013 0.356294 O\n0.537987 0.537987 0.643706 O\n0.786923 0.786923 0.339949 S\n0.213077 0.213077 0.660051 S\n0.371130 0.371130 0.029305 Se\n0.628870 0.628870 0.970695 Se\n0.198719 0.198719 0.173692 Tb\n0.801281 0.801281 0.826308 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.949652161795393,
"density_atomic": 0.04809532883512179,
"volume": 291.08855972259096,
"volume_molar": 12.521259144822212,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.34317324403366,
"spacegroup": 12
}
]
}