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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=70",
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"results": [
{
"id": "oqmd-1558687",
"created_at": "2022-09-04T15:55:41.661913Z",
"updated_at": "2022-09-04T15:55:41.661940Z",
"structure_string": "Tb2 Gd2 Y2 Se4 N2 O2\n1.0\n7.769431 -1.958673 0.000000\n7.769431 1.958673 0.000000\n-1.216532 0.000000 9.636376\nGd N O Se Tb Y\n2 2 2 4 2 2\ndirect\n0.044685 0.044685 0.262054 Gd\n0.955315 0.955315 0.737946 Gd\n0.902158 0.902158 0.187939 N\n0.097842 0.097842 0.812061 N\n0.535881 0.535881 0.138856 O\n0.464119 0.464119 0.861144 O\n0.212927 0.212927 0.150378 Se\n0.629222 0.629222 0.474742 Se\n0.370778 0.370778 0.525258 Se\n0.787073 0.787073 0.849622 Se\n0.391426 0.391426 0.055241 Tb\n0.608574 0.608574 0.944759 Tb\n0.802412 0.802412 0.325472 Y\n0.197588 0.197588 0.674528 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Y2 Se4 N2 O2",
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{
"id": "oqmd-1558271",
"created_at": "2022-09-04T15:55:41.711973Z",
"updated_at": "2022-09-04T15:55:41.712000Z",
"structure_string": "Gd2 Dy2 Tm2 S4 N2 O2\n1.0\n7.528577 -1.907164 0.000000\n7.528577 1.907164 0.000000\n-1.555834 0.000000 9.368855\nDy Gd N O S Tm\n2 2 2 2 4 2\ndirect\n0.947590 0.947590 0.238389 Dy\n0.052410 0.052410 0.761611 Dy\n0.197870 0.197870 0.173147 Gd\n0.802130 0.802130 0.826853 Gd\n0.095431 0.095431 0.310921 N\n0.904569 0.904569 0.689079 N\n0.460191 0.460191 0.363434 O\n0.539809 0.539809 0.636566 O\n0.367506 0.367506 0.030292 S\n0.785578 0.785578 0.353428 S\n0.214422 0.214422 0.646572 S\n0.632494 0.632494 0.969708 S\n0.609566 0.609566 0.445167 Tm\n0.390434 0.390434 0.554833 Tm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
"Tm"
],
"chemical_system": "Dy-Gd-N-O-S-Tm",
"density": 7.194428827940903,
"density_atomic": 0.052036800456120164,
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"volume_molar": 11.572849804780269,
"formula_full": "Gd2 Dy2 Tm2 S4 N2 O2",
"formula_reduced": "GdDyTmS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.566468158345092,
"spacegroup": 12
},
{
"id": "oqmd-1557843",
"created_at": "2022-09-04T15:55:41.633800Z",
"updated_at": "2022-09-04T15:55:41.633823Z",
"structure_string": "Tb2 Sm2 Dy2 Se4 N2 O2\n1.0\n7.793259 -1.972294 0.000000\n7.793259 1.972294 0.000000\n-1.110518 0.000000 9.627697\nDy N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.800629 0.800629 0.322217 Dy\n0.199371 0.199371 0.677783 Dy\n0.900592 0.900592 0.185801 N\n0.099408 0.099408 0.814199 N\n0.535267 0.535267 0.139896 O\n0.464733 0.464733 0.860104 O\n0.212351 0.212351 0.149625 Se\n0.630337 0.630337 0.480533 Se\n0.369663 0.369663 0.519467 Se\n0.787649 0.787649 0.850375 Se\n0.043329 0.043329 0.266927 Sm\n0.956671 0.956671 0.733073 Sm\n0.391997 0.391997 0.054651 Tb\n0.608003 0.608003 0.945349 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Se",
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"Tb"
],
"chemical_system": "Dy-N-O-Se-Sm-Tb",
"density": 7.402696463170222,
"density_atomic": 0.04730258370401152,
"volume": 295.9669198537399,
"volume_molar": 12.731103226163288,
"formula_full": "Tb2 Sm2 Dy2 Se4 N2 O2",
"formula_reduced": "TbSmDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.268497354293657,
"spacegroup": 12
},
{
"id": "oqmd-1558035",
"created_at": "2022-09-04T15:55:41.635177Z",
"updated_at": "2022-09-04T15:55:41.635198Z",
"structure_string": "Nd2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.840129 -1.974434 0.000000\n7.840129 1.974434 0.000000\n-1.591930 0.000000 9.870167\nDy Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.949294 0.949294 0.249320 Dy\n0.050706 0.050706 0.750680 Dy\n0.606753 0.606753 0.444281 Gd\n0.393247 0.393247 0.555719 Gd\n0.091484 0.091484 0.312113 N\n0.908516 0.908516 0.687887 N\n0.190760 0.190760 0.170866 Nd\n0.809240 0.809240 0.829134 Nd\n0.460845 0.460845 0.364690 O\n0.539155 0.539155 0.635310 O\n0.373084 0.373084 0.040017 Se\n0.784953 0.784953 0.354697 Se\n0.215047 0.215047 0.645303 Se\n0.626916 0.626916 0.959983 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Gd-N-Nd-O-Se",
"density": 7.085194977578862,
"density_atomic": 0.04581500197224019,
"volume": 305.57676301056915,
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"formula_full": "Nd2 Gd2 Dy2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557826",
"created_at": "2022-09-04T15:55:41.611842Z",
"updated_at": "2022-09-04T15:55:41.611871Z",
"structure_string": "Tb2 Dy2 Er2 Se4 N2 O2\n1.0\n7.727598 -1.946055 0.000000\n7.727598 1.946055 0.000000\n-1.182909 0.000000 9.570325\nDy Er N O Se Tb\n2 2 2 2 4 2\ndirect\n0.197500 0.197500 0.175897 Dy\n0.802500 0.802500 0.824103 Dy\n0.607143 0.607143 0.444351 Er\n0.392857 0.392857 0.555649 Er\n0.097588 0.097588 0.314690 N\n0.902412 0.902412 0.685310 N\n0.463892 0.463892 0.362558 O\n0.536108 0.536108 0.637442 O\n0.371593 0.371593 0.025505 Se\n0.787174 0.787174 0.352038 Se\n0.212826 0.212826 0.647962 Se\n0.628407 0.628407 0.974495 Se\n0.955220 0.955220 0.239509 Tb\n0.044780 0.044780 0.760491 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Er-N-O-Se-Tb",
"density": 7.806591969655743,
"density_atomic": 0.04863755355741152,
"volume": 287.8434250085065,
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"formula_full": "Tb2 Dy2 Er2 Se4 N2 O2",
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"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2915381382222284,
"spacegroup": 12
},
{
"id": "oqmd-1558251",
"created_at": "2022-09-04T15:55:41.696458Z",
"updated_at": "2022-09-04T15:55:41.696486Z",
"structure_string": "Nd4 Gd2 Se2 S2 N2 O2\n1.0\n7.765115 -1.992163 0.000000\n7.765115 1.992163 0.000000\n-1.564248 0.000000 9.877749\nGd N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.047688 0.047688 0.255715 Gd\n0.952312 0.952312 0.744285 Gd\n0.902635 0.902635 0.187885 N\n0.097365 0.097365 0.812115 N\n0.385925 0.385925 0.050143 Nd\n0.801026 0.801026 0.325711 Nd\n0.198974 0.198974 0.674289 Nd\n0.614075 0.614075 0.949857 Nd\n0.537574 0.537574 0.140265 O\n0.462426 0.462426 0.859735 O\n0.212421 0.212421 0.153537 S\n0.787579 0.787579 0.846463 S\n0.625729 0.625729 0.468574 Se\n0.374271 0.374271 0.531426 Se\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Gd-N-Nd-O-S-Se",
"density": 6.376503819590009,
"density_atomic": 0.04581073840292014,
"volume": 305.60520279907973,
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"formula_full": "Nd4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Nd2GdSeSNO",
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"formation_energy": -2.39585137253366,
"spacegroup": 12
},
{
"id": "oqmd-1558155",
"created_at": "2022-09-04T15:55:41.684816Z",
"updated_at": "2022-09-04T15:55:41.684842Z",
"structure_string": "Nd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.775376 -1.956913 0.000000\n7.775376 1.956913 0.000000\n-1.618158 0.000000 9.811665\nEr Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.052201 0.052201 0.247082 Er\n0.947799 0.947799 0.752918 Er\n0.394940 0.394940 0.056703 Ho\n0.605060 0.605060 0.943297 Ho\n0.909918 0.909918 0.185379 N\n0.090082 0.090082 0.814621 N\n0.810776 0.810776 0.328649 Nd\n0.189224 0.189224 0.671351 Nd\n0.540169 0.540169 0.132980 O\n0.459831 0.459831 0.867020 O\n0.215799 0.215799 0.142919 Se\n0.625959 0.625959 0.456946 Se\n0.374041 0.374041 0.543054 Se\n0.784201 0.784201 0.857081 Se\n",
"nsites": 14,
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"elements": [
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"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-Se",
"density": 7.389503473693684,
"density_atomic": 0.04688807578355873,
"volume": 298.5833768189969,
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"formula_full": "Nd2 Ho2 Er2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558001",
"created_at": "2022-09-04T15:55:41.548639Z",
"updated_at": "2022-09-04T15:55:41.548655Z",
"structure_string": "Tb2 Gd2 Ho2 S4 N2 O2\n1.0\n7.578650 -1.915931 0.000000\n7.578650 1.915931 0.000000\n-1.566073 0.000000 9.405423\nGd Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.387602 0.387602 0.054822 Gd\n0.612398 0.612398 0.945178 Gd\n0.802030 0.802030 0.329501 Ho\n0.197970 0.197970 0.670499 Ho\n0.903356 0.903356 0.196768 N\n0.096644 0.096644 0.803232 N\n0.539442 0.539442 0.141025 O\n0.460558 0.460558 0.858975 O\n0.214944 0.214944 0.155135 S\n0.635583 0.635583 0.473264 S\n0.364417 0.364417 0.526736 S\n0.785056 0.785056 0.844865 S\n0.051449 0.051449 0.266906 Tb\n0.948551 0.948551 0.733094 Tb\n",
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"elements": [
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],
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"density_atomic": 0.05125638729076256,
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"formula_full": "Tb2 Gd2 Ho2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557959",
"created_at": "2022-09-04T15:55:41.450207Z",
"updated_at": "2022-09-04T15:55:41.450235Z",
"structure_string": "Tb4 Dy2 Se2 S2 N2 O2\n1.0\n7.728031 -1.927359 0.000000\n7.728031 1.927359 0.000000\n-1.484008 0.000000 9.469742\nDy N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.393308 0.393308 0.058884 Dy\n0.606692 0.606692 0.941116 Dy\n0.906528 0.906528 0.196571 N\n0.093472 0.093472 0.803429 N\n0.539122 0.539122 0.139401 O\n0.460878 0.460878 0.860599 O\n0.632989 0.632989 0.469951 S\n0.367011 0.367011 0.530049 S\n0.214894 0.214894 0.149428 Se\n0.785106 0.785106 0.850572 Se\n0.051390 0.051390 0.265716 Tb\n0.807054 0.807054 0.333509 Tb\n0.192946 0.192946 0.666491 Tb\n0.948610 0.948610 0.734284 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb4 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558038",
"created_at": "2022-09-04T15:55:41.687006Z",
"updated_at": "2022-09-04T15:55:41.687027Z",
"structure_string": "Nd2 Sm2 Er2 Se4 N2 O2\n1.0\n7.864714 -1.991308 0.000000\n7.864714 1.991308 0.000000\n-1.009647 0.000000 9.690728\nEr N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.798675 0.798675 0.323183 Er\n0.201325 0.201325 0.676817 Er\n0.897477 0.897477 0.188664 N\n0.102523 0.102523 0.811336 N\n0.040204 0.040204 0.272640 Nd\n0.959796 0.959796 0.727360 Nd\n0.533631 0.533631 0.143391 O\n0.466369 0.466369 0.856609 O\n0.211702 0.211702 0.156161 Se\n0.631893 0.631893 0.486100 Se\n0.368107 0.368107 0.513900 Se\n0.788298 0.788298 0.843839 Se\n0.389432 0.389432 0.053389 Sm\n0.610568 0.610568 0.946611 Sm\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.109554799856918,
"density_atomic": 0.04612328843143776,
"volume": 303.5342985314456,
"volume_molar": 13.056616223173048,
"formula_full": "Nd2 Sm2 Er2 Se4 N2 O2",
"formula_reduced": "NdSmErSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558620",
"created_at": "2022-09-04T15:55:41.410645Z",
"updated_at": "2022-09-04T15:55:41.410658Z",
"structure_string": "Tb2 Dy2 Y2 Se4 N2 O2\n1.0\n7.759271 -1.950694 0.000000\n7.759271 1.950694 0.000000\n-1.230584 0.000000 9.596850\nDy N O Se Tb Y\n2 2 2 4 2 2\ndirect\n0.197065 0.197065 0.174442 Dy\n0.802935 0.802935 0.825558 Dy\n0.097837 0.097837 0.311649 N\n0.902163 0.902163 0.688351 N\n0.463752 0.463752 0.360489 O\n0.536248 0.536248 0.639511 O\n0.371384 0.371384 0.026009 Se\n0.787331 0.787331 0.349882 Se\n0.212669 0.212669 0.650118 Se\n0.628616 0.628616 0.973991 Se\n0.955470 0.955470 0.238924 Tb\n0.044530 0.044530 0.761076 Tb\n0.608552 0.608552 0.444714 Y\n0.391448 0.391448 0.555286 Y\n",
"nsites": 14,
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"elements": [
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],
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"volume": 290.5151404049011,
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"formula_full": "Tb2 Dy2 Y2 Se4 N2 O2",
"formula_reduced": "TbDyYSe2NO",
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"formation_energy": -2.277194079650801,
"spacegroup": 12
},
{
"id": "oqmd-1558128",
"created_at": "2022-09-04T15:55:41.374689Z",
"updated_at": "2022-09-04T15:55:41.374715Z",
"structure_string": "Nd4 Gd2 Se2 S2 N2 O2\n1.0\n7.748197 -1.998889 0.000000\n7.748197 1.998889 0.000000\n-1.044778 0.000000 9.722324\nGd N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.791887 0.791887 0.320131 Gd\n0.208113 0.208113 0.679869 Gd\n0.893544 0.893544 0.183855 N\n0.106456 0.106456 0.816145 N\n0.384236 0.384236 0.047493 Nd\n0.038027 0.038027 0.271586 Nd\n0.961973 0.961973 0.728414 Nd\n0.615764 0.615764 0.952507 Nd\n0.532544 0.532544 0.145451 O\n0.467456 0.467456 0.854549 O\n0.208855 0.208855 0.159649 S\n0.791145 0.791145 0.840351 S\n0.627239 0.627239 0.489600 Se\n0.372761 0.372761 0.510400 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.470740000307632,
"density_atomic": 0.04648775972135526,
"volume": 301.1545422690861,
"volume_molar": 12.954250314698617,
"formula_full": "Nd4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Nd2GdSeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}