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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=46",
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"results": [
{
"id": "oqmd-1557926",
"created_at": "2022-09-04T15:55:41.252278Z",
"updated_at": "2022-09-04T15:55:41.252290Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.701759 -1.918616 0.000000\n7.701759 1.918616 0.000000\n-1.555590 0.000000 9.449287\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.947147 0.947147 0.237740 Ho\n0.605824 0.605824 0.440415 Ho\n0.394176 0.394176 0.559585 Ho\n0.052853 0.052853 0.762260 Ho\n0.091598 0.091598 0.303258 N\n0.908402 0.908402 0.696742 N\n0.459879 0.459879 0.361821 O\n0.540121 0.540121 0.638179 O\n0.367677 0.367677 0.033568 S\n0.632323 0.632323 0.966432 S\n0.784067 0.784067 0.351389 Se\n0.215933 0.215933 0.648611 Se\n0.190990 0.190990 0.165707 Tb\n0.809010 0.809010 0.834293 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"density": 7.4900809591133655,
"density_atomic": 0.050132690585793706,
"volume": 279.2588994608487,
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"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558186",
"created_at": "2022-09-04T15:55:41.975998Z",
"updated_at": "2022-09-04T15:55:41.976028Z",
"structure_string": "Nd2 Gd2 Er2 Se4 N2 O2\n1.0\n7.812586 -1.973765 0.000000\n7.812586 1.973765 0.000000\n-1.348971 0.000000 9.777518\nEr Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.605091 0.605091 0.444878 Er\n0.394909 0.394909 0.555122 Er\n0.952021 0.952021 0.246088 Gd\n0.047979 0.047979 0.753912 Gd\n0.094359 0.094359 0.319223 N\n0.905641 0.905641 0.680777 N\n0.195424 0.195424 0.175416 Nd\n0.804576 0.804576 0.824584 Nd\n0.462706 0.462706 0.366340 O\n0.537294 0.537294 0.633660 O\n0.374819 0.374819 0.032670 Se\n0.786878 0.786878 0.359223 Se\n0.213122 0.213122 0.640777 Se\n0.625181 0.625181 0.967330 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Gd",
"N",
"Nd",
"O",
"Se"
],
"chemical_system": "Er-Gd-N-Nd-O-Se",
"density": 7.232394218572837,
"density_atomic": 0.04642791292977193,
"volume": 301.542738334518,
"volume_molar": 12.970948681473681,
"formula_full": "Nd2 Gd2 Er2 Se4 N2 O2",
"formula_reduced": "NdGdErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.341855537674608,
"spacegroup": 12
},
{
"id": "oqmd-1558059",
"created_at": "2022-09-04T15:55:41.971185Z",
"updated_at": "2022-09-04T15:55:41.971204Z",
"structure_string": "Tb2 Nd2 Gd2 Se4 N2 O2\n1.0\n7.860237 -1.987236 0.000000\n7.860237 1.987236 0.000000\n-1.414420 0.000000 9.840974\nGd N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.047688 0.047688 0.254189 Gd\n0.952312 0.952312 0.745811 Gd\n0.905657 0.905657 0.184305 N\n0.094343 0.094343 0.815695 N\n0.805395 0.805395 0.326622 Nd\n0.194605 0.194605 0.673378 Nd\n0.537296 0.537296 0.135452 O\n0.462704 0.462704 0.864548 O\n0.213403 0.213403 0.144272 Se\n0.625637 0.625637 0.466068 Se\n0.374363 0.374363 0.533932 Se\n0.786597 0.786597 0.855728 Se\n0.393329 0.393329 0.054732 Tb\n0.606671 0.606671 0.945268 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-Se-Tb",
"density": 7.003756744247585,
"density_atomic": 0.045538096026209215,
"volume": 307.43490004374297,
"volume_molar": 13.224401732856787,
"formula_full": "Tb2 Nd2 Gd2 Se4 N2 O2",
"formula_reduced": "TbNdGdSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.245658254055563,
"spacegroup": 12
},
{
"id": "oqmd-1558427",
"created_at": "2022-09-04T15:55:42.072351Z",
"updated_at": "2022-09-04T15:55:42.072377Z",
"structure_string": "Gd2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.753299 -1.952163 0.000000\n7.753299 1.952163 0.000000\n-1.189508 0.000000 9.600672\nDy Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.391797 0.391797 0.055512 Dy\n0.608203 0.608203 0.944488 Dy\n0.044443 0.044443 0.262527 Gd\n0.955557 0.955557 0.737473 Gd\n0.802565 0.802565 0.324313 Ho\n0.197435 0.197435 0.675687 Ho\n0.901893 0.901893 0.187612 N\n0.098107 0.098107 0.812388 N\n0.535883 0.535883 0.138456 O\n0.464117 0.464117 0.861544 O\n0.213332 0.213332 0.150783 Se\n0.629834 0.629834 0.476474 Se\n0.370166 0.370166 0.523526 Se\n0.786668 0.786668 0.849217 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"O",
"Se"
],
"chemical_system": "Dy-Gd-Ho-N-O-Se",
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"density_atomic": 0.04817190239411981,
"volume": 290.62584835156804,
"volume_molar": 12.501355480482546,
"formula_full": "Gd2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "GdDyHoSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557295",
"created_at": "2022-09-04T15:55:47.309320Z",
"updated_at": "2022-09-04T15:55:47.309341Z",
"structure_string": "Y2 Ho4 Se2 S2 N2 O2\n1.0\n7.694389 -1.917442 0.000000\n7.694389 1.917442 0.000000\n-1.472418 0.000000 9.408302\nHo N O S Se Y\n4 2 2 2 2 2\ndirect\n0.193182 0.193182 0.167276 Ho\n0.606331 0.606331 0.440354 Ho\n0.393669 0.393669 0.559646 Ho\n0.806818 0.806818 0.832724 Ho\n0.093663 0.093663 0.302315 N\n0.906337 0.906337 0.697685 N\n0.460716 0.460716 0.360722 O\n0.539284 0.539284 0.639278 O\n0.365835 0.365835 0.029162 S\n0.634165 0.634165 0.970838 S\n0.784957 0.784957 0.349839 Se\n0.215043 0.215043 0.650161 Se\n0.948549 0.948549 0.233400 Y\n0.051451 0.051451 0.766600 Y\n",
"nsites": 14,
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"elements": [
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"O",
"S",
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"Y"
],
"chemical_system": "Ho-N-O-S-Se-Y",
"density": 6.696879700253217,
"density_atomic": 0.05043016808120586,
"volume": 277.6116069543197,
"volume_molar": 11.941544097776488,
"formula_full": "Y2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "YHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.460505608128897,
"spacegroup": 12
},
{
"id": "oqmd-1557078",
"created_at": "2022-09-04T15:55:47.153473Z",
"updated_at": "2022-09-04T15:55:47.153494Z",
"structure_string": "Sm2 Dy2 Er2 Se4 N2 O2\n1.0\n7.748816 -1.950437 0.000000\n7.748816 1.950437 0.000000\n-1.446082 0.000000 9.695430\nDy Er N O Se Sm\n2 2 2 2 4 2\ndirect\n0.606973 0.606973 0.443752 Dy\n0.393027 0.393027 0.556248 Dy\n0.950998 0.950998 0.248256 Er\n0.049002 0.049002 0.751744 Er\n0.092951 0.092951 0.312280 N\n0.907049 0.907049 0.687720 N\n0.461203 0.461203 0.363977 O\n0.538797 0.538797 0.636023 O\n0.374674 0.374674 0.037575 Se\n0.785867 0.785867 0.353569 Se\n0.214133 0.214133 0.646431 Se\n0.625326 0.625326 0.962425 Se\n0.192648 0.192648 0.170623 Sm\n0.807352 0.807352 0.829377 Sm\n",
"nsites": 14,
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"elements": [
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"Sm"
],
"chemical_system": "Dy-Er-N-O-Se-Sm",
"density": 7.570429680419636,
"density_atomic": 0.04777092926128296,
"volume": 293.0652640945509,
"volume_molar": 12.606287658885424,
"formula_full": "Sm2 Dy2 Er2 Se4 N2 O2",
"formula_reduced": "SmDyErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.362815987912704,
"spacegroup": 12
},
{
"id": "oqmd-1558397",
"created_at": "2022-09-04T15:55:41.945054Z",
"updated_at": "2022-09-04T15:55:41.945074Z",
"structure_string": "Sm2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.822716 -1.968702 0.000000\n7.822716 1.968702 0.000000\n-1.288112 0.000000 9.698204\nDy Gd N O Se Sm\n2 2 2 2 4 2\ndirect\n0.803520 0.803520 0.327449 Dy\n0.196480 0.196480 0.672551 Dy\n0.044620 0.044620 0.263862 Gd\n0.955380 0.955380 0.736138 Gd\n0.902280 0.902280 0.192826 N\n0.097720 0.097720 0.807174 N\n0.536191 0.536191 0.142347 O\n0.463809 0.463809 0.857653 O\n0.212892 0.212892 0.154707 Se\n0.629890 0.629890 0.474832 Se\n0.370110 0.370110 0.525168 Se\n0.787108 0.787108 0.845293 Se\n0.389956 0.389956 0.054643 Sm\n0.610044 0.610044 0.945357 Sm\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Gd-N-O-Se-Sm",
"density": 7.315936981541522,
"density_atomic": 0.046867218404203895,
"volume": 298.7162557687492,
"volume_molar": 12.849366710996925,
"formula_full": "Sm2 Gd2 Dy2 Se4 N2 O2",
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"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3547508168412747,
"spacegroup": 12
},
{
"id": "oqmd-1557945",
"created_at": "2022-09-04T15:55:41.956962Z",
"updated_at": "2022-09-04T15:55:41.956984Z",
"structure_string": "Tb2 Nd2 Dy2 S4 N2 O2\n1.0\n7.656106 -1.932717 0.000000\n7.656106 1.932717 0.000000\n-1.667614 0.000000 9.534759\nDy N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.948194 0.948194 0.232995 Dy\n0.051806 0.051806 0.767005 Dy\n0.094924 0.094924 0.297096 N\n0.905076 0.905076 0.702904 N\n0.613875 0.613875 0.445398 Nd\n0.386125 0.386125 0.554602 Nd\n0.460056 0.460056 0.354629 O\n0.539944 0.539944 0.645371 O\n0.365486 0.365486 0.030600 S\n0.785433 0.785433 0.339353 S\n0.214567 0.214567 0.660647 S\n0.634514 0.634514 0.969400 S\n0.196524 0.196524 0.165883 Tb\n0.803476 0.803476 0.834117 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.04961489942451625,
"volume": 282.1733020198801,
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"formula_full": "Tb2 Nd2 Dy2 S4 N2 O2",
"formula_reduced": "TbNdDyS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.421560889368901,
"spacegroup": 12
},
{
"id": "oqmd-1557963",
"created_at": "2022-09-04T15:55:42.054306Z",
"updated_at": "2022-09-04T15:55:42.054333Z",
"structure_string": "Tb2 Dy2 Ho2 S4 N2 O2\n1.0\n7.548594 -1.909720 0.000000\n7.548594 1.909720 0.000000\n-1.509247 0.000000 9.366595\nDy Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.198639 0.198639 0.172358 Dy\n0.801361 0.801361 0.827642 Dy\n0.610858 0.610858 0.444753 Ho\n0.389142 0.389142 0.555247 Ho\n0.096536 0.096536 0.307656 N\n0.903464 0.903464 0.692344 N\n0.460724 0.460724 0.361595 O\n0.539276 0.539276 0.638405 O\n0.365527 0.365527 0.027477 S\n0.785368 0.785368 0.348776 S\n0.214632 0.214632 0.651224 S\n0.634473 0.634473 0.972523 S\n0.948533 0.948533 0.235111 Tb\n0.051467 0.051467 0.764889 Tb\n",
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"elements": [
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"density": 7.138840159922875,
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"volume_molar": 11.616368181371872,
"formula_full": "Tb2 Dy2 Ho2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558170",
"created_at": "2022-09-04T15:55:41.919595Z",
"updated_at": "2022-09-04T15:55:41.919612Z",
"structure_string": "Tb2 Nd4 Se2 S2 N2 O2\n1.0\n7.888102 -1.986387 0.000000\n7.888102 1.986387 0.000000\n-1.351870 0.000000 9.703539\nN Nd O S Se Tb\n2 4 2 2 2 2\ndirect\n0.904222 0.904222 0.187677 N\n0.095778 0.095778 0.812323 N\n0.049257 0.049257 0.267591 Nd\n0.803475 0.803475 0.329841 Nd\n0.196525 0.196525 0.670159 Nd\n0.950743 0.950743 0.732409 Nd\n0.536925 0.536925 0.137303 O\n0.463075 0.463075 0.862697 O\n0.631405 0.631405 0.474181 S\n0.368595 0.368595 0.525819 S\n0.213097 0.213097 0.144092 Se\n0.786903 0.786903 0.855908 Se\n0.394076 0.394076 0.055913 Tb\n0.605924 0.605924 0.944087 Tb\n",
"nsites": 14,
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"elements": [
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"S",
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],
"chemical_system": "N-Nd-O-S-Se-Tb",
"density": 6.42665636408476,
"density_atomic": 0.04603959581267744,
"volume": 304.0860753200828,
"volume_molar": 13.080351062382146,
"formula_full": "Tb2 Nd4 Se2 S2 N2 O2",
"formula_reduced": "TbNd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2887581757003264,
"spacegroup": 12
},
{
"id": "oqmd-1558174",
"created_at": "2022-09-04T15:55:41.937944Z",
"updated_at": "2022-09-04T15:55:41.937971Z",
"structure_string": "Tb2 Nd2 Sm2 Se4 N2 O2\n1.0\n7.901179 -1.990786 0.000000\n7.901179 1.990786 0.000000\n-1.563650 0.000000 9.922013\nN Nd O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.907412 0.907412 0.190203 N\n0.092588 0.092588 0.809797 N\n0.808390 0.808390 0.330362 Nd\n0.191610 0.191610 0.669638 Nd\n0.538673 0.538673 0.137680 O\n0.461327 0.461327 0.862320 O\n0.214686 0.214686 0.148681 Se\n0.627313 0.627313 0.461380 Se\n0.372687 0.372687 0.538620 Se\n0.785314 0.785314 0.851319 Se\n0.391819 0.391819 0.055037 Sm\n0.608181 0.608181 0.944963 Sm\n0.049596 0.049596 0.253045 Tb\n0.950404 0.950404 0.746955 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "N-Nd-O-Se-Sm-Tb",
"density": 6.8249263999155,
"density_atomic": 0.044851995464042324,
"volume": 312.1377288826257,
"volume_molar": 13.426695284556352,
"formula_full": "Tb2 Nd2 Sm2 Se4 N2 O2",
"formula_reduced": "TbNdSmSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.229821307626991,
"spacegroup": 12
},
{
"id": "oqmd-1558072",
"created_at": "2022-09-04T15:55:41.886901Z",
"updated_at": "2022-09-04T15:55:41.886926Z",
"structure_string": "Nd2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.922159 -2.000594 0.000000\n7.922159 2.000594 0.000000\n-1.303252 0.000000 9.837821\nGd N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.196843 0.196843 0.172371 Gd\n0.803157 0.803157 0.827629 Gd\n0.098435 0.098435 0.307203 N\n0.901565 0.901565 0.692797 N\n0.610737 0.610737 0.446321 Nd\n0.389263 0.389263 0.553679 Nd\n0.464227 0.464227 0.356980 O\n0.535773 0.535773 0.643020 O\n0.370129 0.370129 0.023581 Se\n0.787215 0.787215 0.344323 Se\n0.212785 0.212785 0.655677 Se\n0.629871 0.629871 0.976419 Se\n0.955614 0.955614 0.234471 Sm\n0.044386 0.044386 0.765529 Sm\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-Se-Sm",
"density": 6.813606279428159,
"density_atomic": 0.04489485851185177,
"volume": 311.8397175993805,
"volume_molar": 13.413876242443704,
"formula_full": "Nd2 Sm2 Gd2 Se4 N2 O2",
"formula_reduced": "NdSmGdSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}