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{
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"results": [
{
"id": "oqmd-1557714",
"created_at": "2022-09-04T15:55:41.050656Z",
"updated_at": "2022-09-04T15:55:41.050679Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716132 -1.927614 0.000000\n7.716132 1.927614 0.000000\n-1.398056 0.000000 9.431652\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393957 0.393957 0.059113 Er\n0.606043 0.606043 0.940887 Er\n0.050997 0.050997 0.266644 Gd\n0.949003 0.949003 0.733356 Gd\n0.905631 0.905631 0.194203 N\n0.094369 0.094369 0.805797 N\n0.538514 0.538514 0.137801 O\n0.461486 0.461486 0.862199 O\n0.634963 0.634963 0.471065 S\n0.365037 0.365037 0.528935 S\n0.214957 0.214957 0.146945 Se\n0.785043 0.785043 0.853055 Se\n0.805195 0.805195 0.331531 Y\n0.194805 0.194805 0.668469 Y\n",
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"elements": [
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"density": 6.562976124838782,
"density_atomic": 0.04989885169035825,
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"volume_molar": 12.068696084169876,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557804",
"created_at": "2022-09-04T15:55:40.856627Z",
"updated_at": "2022-09-04T15:55:40.856641Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.528805 -1.925698 0.000000\n7.528805 1.925698 0.000000\n-1.396539 0.000000 9.460929\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.389803 0.389803 0.053672 Er\n0.610197 0.610197 0.946328 Er\n0.799380 0.799380 0.317578 Ho\n0.200620 0.200620 0.682422 Ho\n0.902301 0.902301 0.184559 N\n0.097699 0.097699 0.815441 N\n0.538643 0.538643 0.136788 O\n0.461357 0.461357 0.863212 O\n0.214095 0.214095 0.148886 S\n0.785905 0.785905 0.851114 S\n0.629934 0.629934 0.476056 Se\n0.370066 0.370066 0.523944 Se\n0.048910 0.048910 0.259424 Y\n0.951090 0.951090 0.740576 Y\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.805107149217439,
"density_atomic": 0.05103287417530301,
"volume": 274.3329711728288,
"volume_molar": 11.800512625084266,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.482018153366992,
"spacegroup": 12
},
{
"id": "oqmd-1557687",
"created_at": "2022-09-04T15:55:40.835859Z",
"updated_at": "2022-09-04T15:55:40.835887Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551183 -1.956421 0.000000\n7.551183 1.956421 0.000000\n-0.501790 0.000000 9.413323\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386960 0.386960 0.045854 Er\n0.613040 0.613040 0.954146 Er\n0.785325 0.785325 0.312522 Ho\n0.214675 0.214675 0.687478 Ho\n0.889296 0.889296 0.170006 N\n0.110704 0.110704 0.829994 N\n0.029568 0.029568 0.276991 Nd\n0.970432 0.970432 0.723009 Nd\n0.529062 0.529062 0.142881 O\n0.470938 0.470938 0.857119 O\n0.205728 0.205728 0.154953 S\n0.794272 0.794272 0.845047 S\n0.375991 0.375991 0.496671 Se\n0.624009 0.624009 0.503329 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.372917189386988,
"density_atomic": 0.05033589185744969,
"volume": 278.13155749078095,
"volume_molar": 11.963909921482252,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.45612092193842,
"spacegroup": 12
},
{
"id": "oqmd-1558083",
"created_at": "2022-09-04T15:55:41.175713Z",
"updated_at": "2022-09-04T15:55:41.175741Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.663055 -1.969537 0.000000\n7.663055 1.969537 0.000000\n-1.433189 0.000000 9.726234\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.389583 0.389583 0.050388 Dy\n0.610417 0.610417 0.949612 Dy\n0.047463 0.047463 0.254325 Gd\n0.952537 0.952537 0.745675 Gd\n0.902332 0.902332 0.178840 N\n0.097668 0.097668 0.821160 N\n0.799024 0.799024 0.319542 Nd\n0.200976 0.200976 0.680458 Nd\n0.537265 0.537265 0.135633 O\n0.462735 0.462735 0.864367 O\n0.211671 0.211671 0.144514 S\n0.788329 0.788329 0.855486 S\n0.624870 0.624870 0.471306 Se\n0.375130 0.375130 0.528694 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
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"S",
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],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.844003981077564,
"density_atomic": 0.047685598690702685,
"volume": 293.58968712559323,
"volume_molar": 12.62884586824773,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4338021134860406,
"spacegroup": 12
},
{
"id": "oqmd-1558000",
"created_at": "2022-09-04T15:55:41.098341Z",
"updated_at": "2022-09-04T15:55:41.098363Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.568441 -1.932640 0.000000\n7.568441 1.932640 0.000000\n-1.460409 0.000000 9.523041\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.951358 0.951358 0.240578 Dy\n0.048642 0.048642 0.759422 Dy\n0.199622 0.199622 0.180034 Ho\n0.800378 0.800378 0.819966 Ho\n0.098097 0.098097 0.312446 N\n0.901903 0.901903 0.687554 N\n0.461281 0.461281 0.360470 O\n0.538719 0.538719 0.639530 O\n0.785945 0.785945 0.348314 S\n0.214055 0.214055 0.651686 S\n0.369760 0.369760 0.025030 Se\n0.630240 0.630240 0.974970 Se\n0.612288 0.612288 0.447323 Tb\n0.387712 0.387712 0.552677 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"density": 7.479135578306652,
"density_atomic": 0.05025334700933551,
"volume": 278.5884091939038,
"volume_molar": 11.983561530501191,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.390705398557469,
"spacegroup": 12
},
{
"id": "oqmd-1557991",
"created_at": "2022-09-04T15:55:41.205585Z",
"updated_at": "2022-09-04T15:55:41.205596Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.711516 -1.919271 0.000000\n7.711516 1.919271 0.000000\n-1.559385 0.000000 9.459320\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.191409 0.191409 0.164374 Dy\n0.808591 0.808591 0.835626 Dy\n0.947949 0.947949 0.236122 Ho\n0.052051 0.052051 0.763878 Ho\n0.092179 0.092179 0.300142 N\n0.907821 0.907821 0.699858 N\n0.459879 0.459879 0.359844 O\n0.540121 0.540121 0.640156 O\n0.366769 0.366769 0.032704 S\n0.633231 0.633231 0.967296 S\n0.784413 0.784413 0.348249 Se\n0.215587 0.215587 0.651751 Se\n0.607353 0.607353 0.440616 Tb\n0.392647 0.392647 0.559384 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
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],
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"density": 7.44129412878637,
"density_atomic": 0.04999908507302368,
"volume": 280.00512368482333,
"volume_molar": 12.0445019167944,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3692050335574697,
"spacegroup": 12
},
{
"id": "oqmd-1558016",
"created_at": "2022-09-04T15:55:40.863274Z",
"updated_at": "2022-09-04T15:55:40.863293Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808363 -1.948165 0.000000\n7.808363 1.948165 0.000000\n-1.714736 0.000000 9.688195\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.054689 0.054689 0.256366 Dy\n0.945311 0.945311 0.743634 Dy\n0.910766 0.910766 0.193773 N\n0.089234 0.089234 0.806227 N\n0.811768 0.811768 0.336233 Nd\n0.188232 0.188232 0.663767 Nd\n0.540742 0.540742 0.136285 O\n0.459258 0.459258 0.863715 O\n0.630575 0.630575 0.458310 S\n0.369425 0.369425 0.541690 S\n0.216408 0.216408 0.145619 Se\n0.783592 0.783592 0.854381 Se\n0.394437 0.394437 0.058116 Tb\n0.605563 0.605563 0.941884 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
"S",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.835863463969063,
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"volume": 294.75324753947604,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.327359315224137,
"spacegroup": 12
},
{
"id": "oqmd-1558444",
"created_at": "2022-09-04T15:55:40.813540Z",
"updated_at": "2022-09-04T15:55:40.813559Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.757571 -1.931757 0.000000\n7.757571 1.931757 0.000000\n-1.372248 0.000000 9.454596\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049310 0.049310 0.269478 Gd\n0.950690 0.950690 0.730522 Gd\n0.805195 0.805195 0.333200 Ho\n0.194805 0.194805 0.666800 Ho\n0.904488 0.904488 0.197744 N\n0.095512 0.095512 0.802256 N\n0.537826 0.537826 0.140975 O\n0.462174 0.462174 0.859025 O\n0.634319 0.634319 0.473908 S\n0.365681 0.365681 0.526092 S\n0.214336 0.214336 0.152624 Se\n0.785664 0.785664 0.847376 Se\n0.392380 0.392380 0.058749 Tb\n0.607620 0.607620 0.941251 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.291447244198839,
"density_atomic": 0.04940567194685782,
"volume": 283.3682742956883,
"volume_molar": 12.189168819478034,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.36271177153366,
"spacegroup": 12
},
{
"id": "oqmd-1558107",
"created_at": "2022-09-04T15:55:41.603023Z",
"updated_at": "2022-09-04T15:55:41.603040Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.800521 -1.962952 0.000000\n7.800521 1.962952 0.000000\n-1.177947 0.000000 9.521922\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.802021 0.802021 0.328074 Gd\n0.197979 0.197979 0.671926 Gd\n0.393757 0.393757 0.056381 Ho\n0.606243 0.606243 0.943619 Ho\n0.901671 0.901671 0.187368 N\n0.098329 0.098329 0.812632 N\n0.046974 0.046974 0.272444 Nd\n0.953026 0.953026 0.727556 Nd\n0.535900 0.535900 0.138166 O\n0.464100 0.464100 0.861834 O\n0.632842 0.632842 0.480671 S\n0.367158 0.367158 0.519329 S\n0.213257 0.213257 0.147902 Se\n0.786743 0.786743 0.852098 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.918376123103334,
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"volume": 291.60025910742513,
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557769",
"created_at": "2022-09-04T15:55:40.802103Z",
"updated_at": "2022-09-04T15:55:40.802124Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.582723 -1.946767 0.000000\n7.582723 1.946767 0.000000\n-1.671490 0.000000 9.736686\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051881 0.051881 0.247995 Er\n0.948119 0.948119 0.752005 Er\n0.390478 0.390478 0.052361 Ho\n0.609522 0.609522 0.947639 Ho\n0.906374 0.906374 0.181471 N\n0.093626 0.093626 0.818529 N\n0.803771 0.803771 0.322251 Nd\n0.196229 0.196229 0.677749 Nd\n0.540013 0.540013 0.133776 O\n0.459987 0.459987 0.866224 O\n0.213759 0.213759 0.143502 S\n0.786241 0.786241 0.856498 S\n0.624541 0.624541 0.461992 Se\n0.375459 0.375459 0.538008 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
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"S",
"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.133608915692012,
"density_atomic": 0.04870210226292627,
"volume": 287.46192360277814,
"volume_molar": 12.365258336259261,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.446823210509849,
"spacegroup": 12
},
{
"id": "oqmd-1557947",
"created_at": "2022-09-04T15:55:40.798021Z",
"updated_at": "2022-09-04T15:55:40.798047Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.572057 -1.931603 0.000000\n7.572057 1.931603 0.000000\n-1.509618 0.000000 9.551532\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199149 0.199149 0.178844 Dy\n0.800851 0.800851 0.821156 Dy\n0.950549 0.950549 0.242824 Ho\n0.049451 0.049451 0.757176 Ho\n0.096762 0.096762 0.311364 N\n0.903238 0.903238 0.688636 N\n0.460915 0.460915 0.361453 O\n0.539085 0.539085 0.638547 O\n0.785957 0.785957 0.349135 S\n0.214043 0.214043 0.650865 S\n0.369903 0.369903 0.028344 Se\n0.630097 0.630097 0.971656 Se\n0.611949 0.611949 0.446705 Tb\n0.388051 0.388051 0.553295 Tb\n",
"nsites": 14,
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"elements": [
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"S",
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],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"density": 7.457266658544942,
"density_atomic": 0.050106406710955016,
"volume": 279.4053878331513,
"volume_molar": 12.018704104525916,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.390594637843184,
"spacegroup": 12
},
{
"id": "oqmd-1557814",
"created_at": "2022-09-04T15:55:41.543258Z",
"updated_at": "2022-09-04T15:55:41.543279Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.732030 -1.920295 0.000000\n7.732030 1.920295 0.000000\n-1.453260 0.000000 9.409252\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.806265 0.806265 0.333536 Er\n0.193735 0.193735 0.666464 Er\n0.905845 0.905845 0.199878 N\n0.094155 0.094155 0.800122 N\n0.539136 0.539136 0.140925 O\n0.460864 0.460864 0.859075 O\n0.635959 0.635959 0.472078 S\n0.364041 0.364041 0.527922 S\n0.215293 0.215293 0.151298 Se\n0.784707 0.784707 0.848702 Se\n0.050877 0.050877 0.268042 Tb\n0.949123 0.949123 0.731958 Tb\n0.392340 0.392340 0.059485 Y\n0.607660 0.607660 0.940515 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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"Se",
"Tb",
"Y"
],
"chemical_system": "Er-N-O-S-Se-Tb-Y",
"density": 6.610008914951461,
"density_atomic": 0.05010504522505101,
"volume": 279.41298001264795,
"volume_molar": 12.019030684337377,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.359755147843184,
"spacegroup": 12
}
]
}