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{
"count": 1013513,
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"results": [
{
"id": "oqmd-1558061",
"created_at": "2022-09-04T15:55:42.436267Z",
"updated_at": "2022-09-04T15:55:42.436290Z",
"structure_string": "Tb4 Nd2 Se2 S2 N2 O2\n1.0\n7.690459 -1.965649 0.000000\n7.690459 1.965649 0.000000\n-1.477527 0.000000 9.711083\nN Nd O S Se Tb\n2 2 2 2 2 4\ndirect\n0.901253 0.901253 0.192663 N\n0.098747 0.098747 0.807337 N\n0.385383 0.385383 0.051441 Nd\n0.614617 0.614617 0.948559 Nd\n0.537630 0.537630 0.143950 O\n0.462370 0.462370 0.856050 O\n0.212828 0.212828 0.159134 S\n0.787172 0.787172 0.840866 S\n0.629519 0.629519 0.474490 Se\n0.370481 0.370481 0.525510 Se\n0.046695 0.046695 0.261709 Tb\n0.799967 0.799967 0.324251 Tb\n0.200033 0.200033 0.675749 Tb\n0.953305 0.953305 0.738291 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"S",
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],
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"density_atomic": 0.0476839411229679,
"volume": 293.5998927583741,
"volume_molar": 12.629284866513096,
"formula_full": "Tb4 Nd2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558408",
"created_at": "2022-09-04T15:55:42.701406Z",
"updated_at": "2022-09-04T15:55:42.701433Z",
"structure_string": "Tb2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.769181 -1.957125 0.000000\n7.769181 1.957125 0.000000\n-1.239618 0.000000 9.640512\nDy Gd N O Se Tb\n2 2 2 2 4 2\ndirect\n0.392410 0.392410 0.055090 Dy\n0.607590 0.607590 0.944910 Dy\n0.802759 0.802759 0.325329 Gd\n0.197241 0.197241 0.674671 Gd\n0.902941 0.902941 0.186445 N\n0.097059 0.097059 0.813555 N\n0.536022 0.536022 0.138358 O\n0.463978 0.463978 0.861642 O\n0.212227 0.212227 0.147939 Se\n0.627389 0.627389 0.472283 Se\n0.372611 0.372611 0.527717 Se\n0.787773 0.787773 0.852061 Se\n0.044810 0.044810 0.259462 Tb\n0.955190 0.955190 0.740538 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Gd",
"N",
"O",
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],
"chemical_system": "Dy-Gd-N-O-Se-Tb",
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"density_atomic": 0.04775338219484785,
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"volume_molar": 12.61091986202756,
"formula_full": "Tb2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "TbGdDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.281246345722228,
"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,
"nelements": 6,
"elements": [
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"N",
"Nd",
"O",
"S",
"Tm"
],
"chemical_system": "Ho-N-Nd-O-S-Tm",
"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-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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"Se"
],
"chemical_system": "Er-Gd-Ho-N-O-Se",
"density": 7.814659866983615,
"density_atomic": 0.04863355322852624,
"volume": 287.8671014271734,
"volume_molar": 12.382687178340252,
"formula_full": "Gd2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "GdHoErSe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558051",
"created_at": "2022-09-04T15:55:42.410088Z",
"updated_at": "2022-09-04T15:55:42.410122Z",
"structure_string": "Nd2 Sm2 Dy2 Se4 N2 O2\n1.0\n7.864884 -1.996014 0.000000\n7.864884 1.996014 0.000000\n-0.924016 0.000000 9.697980\nDy N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.202875 0.202875 0.176514 Dy\n0.797125 0.797125 0.823486 Dy\n0.104168 0.104168 0.314400 N\n0.895832 0.895832 0.685600 N\n0.962489 0.962489 0.227609 Nd\n0.037511 0.037511 0.772391 Nd\n0.467857 0.467857 0.356226 O\n0.532143 0.532143 0.643774 O\n0.371672 0.371672 0.012050 Se\n0.790145 0.790145 0.343477 Se\n0.209855 0.209855 0.656523 Se\n0.628328 0.628328 0.987950 Se\n0.611120 0.611120 0.448269 Sm\n0.388880 0.388880 0.551731 Sm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"Se",
"Sm"
],
"chemical_system": "Dy-N-Nd-O-Se-Sm",
"density": 7.035428331507013,
"density_atomic": 0.045979140774964906,
"volume": 304.485898693062,
"volume_molar": 13.097549581176567,
"formula_full": "Nd2 Sm2 Dy2 Se4 N2 O2",
"formula_reduced": "NdSmDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.33162528862699,
"spacegroup": 12
},
{
"id": "oqmd-1558561",
"created_at": "2022-09-04T15:55:42.550197Z",
"updated_at": "2022-09-04T15:55:42.550228Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.823033 -1.961831 0.000000\n7.823033 1.961831 0.000000\n-1.432472 0.000000 9.747161\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.045689 0.045689 0.260270 Ho\n0.954311 0.954311 0.739730 Ho\n0.904415 0.904415 0.198890 N\n0.095585 0.095585 0.801110 N\n0.388487 0.388487 0.055508 Nd\n0.611513 0.611513 0.944492 Nd\n0.537258 0.537258 0.143958 O\n0.462742 0.462742 0.856042 O\n0.213392 0.213392 0.158508 Se\n0.629906 0.629906 0.467420 Se\n0.370094 0.370094 0.532580 Se\n0.786608 0.786608 0.841492 Se\n0.805817 0.805817 0.332489 Y\n0.194183 0.194183 0.667511 Y\n",
"nsites": 14,
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"elements": [
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"Nd",
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],
"chemical_system": "Ho-N-Nd-O-Se-Y",
"density": 6.504815506890167,
"density_atomic": 0.04679324304190218,
"volume": 299.1884958147344,
"volume_molar": 12.869680254064296,
"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "NdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.338979131365084,
"spacegroup": 12
},
{
"id": "oqmd-1588925",
"created_at": "2022-09-04T15:56:53.674050Z",
"updated_at": "2022-09-04T15:56:53.674079Z",
"structure_string": "Y2 Er2 Tm2 Si4 Ni2 Ge2\n1.0\n5.171895 -2.084805 0.000000\n5.171895 2.084805 0.000000\n-4.704454 0.000000 12.734234\nEr Ge Ni Si Tm Y\n2 2 2 4 2 2\ndirect\n0.469272 0.469272 0.118269 Er\n0.530728 0.530728 0.881731 Er\n0.875569 0.875569 0.422844 Ge\n0.124431 0.124431 0.577156 Ge\n0.752883 0.752883 0.095541 Ni\n0.247117 0.247117 0.904459 Ni\n0.136185 0.136185 0.042428 Si\n0.954492 0.954492 0.260794 Si\n0.045508 0.045508 0.739206 Si\n0.863815 0.863815 0.957572 Si\n0.596459 0.596459 0.418889 Tm\n0.403541 0.403541 0.581111 Tm\n0.251219 0.251219 0.269408 Y\n0.748781 0.748781 0.730592 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ge-Ni-Si-Tm-Y",
"density": 7.408675577141174,
"density_atomic": 0.05098120247361275,
"volume": 274.61101976255327,
"volume_molar": 11.812472966123126,
"formula_full": "Y2 Er2 Tm2 Si4 Ni2 Ge2",
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"spacegroup": 12
},
{
"id": "oqmd-1557064",
"created_at": "2022-09-04T15:55:48.286538Z",
"updated_at": "2022-09-04T15:55:48.286566Z",
"structure_string": "Sm2 Dy2 Er2 Se4 N2 O2\n1.0\n7.751143 -1.953167 0.000000\n7.751143 1.953167 0.000000\n-1.310134 0.000000 9.659517\nDy Er N O Se Sm\n2 2 2 2 4 2\ndirect\n0.046343 0.046343 0.255225 Dy\n0.953657 0.953657 0.744775 Dy\n0.393761 0.393761 0.055038 Er\n0.606239 0.606239 0.944962 Er\n0.904512 0.904512 0.183338 N\n0.095488 0.095488 0.816662 N\n0.536863 0.536863 0.136073 O\n0.463137 0.463137 0.863927 O\n0.212297 0.212297 0.143059 Se\n0.625213 0.625213 0.468299 Se\n0.374787 0.374787 0.531701 Se\n0.787703 0.787703 0.856941 Se\n0.803629 0.803629 0.325289 Sm\n0.196371 0.196371 0.674711 Sm\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Er-N-O-Se-Sm",
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"density_atomic": 0.047867142417941044,
"volume": 292.47620168678947,
"volume_molar": 12.580948967914253,
"formula_full": "Sm2 Dy2 Er2 Se4 N2 O2",
"formula_reduced": "SmDyErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3626498193412755,
"spacegroup": 12
},
{
"id": "oqmd-1558204",
"created_at": "2022-09-04T15:55:42.334158Z",
"updated_at": "2022-09-04T15:55:42.334181Z",
"structure_string": "Tb2 Nd2 Er2 Se4 N2 O2\n1.0\n7.846898 -1.962126 0.000000\n7.846898 1.962126 0.000000\n-1.482020 0.000000 9.772236\nEr N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.953952 0.953952 0.240788 Er\n0.046048 0.046048 0.759212 Er\n0.094906 0.094906 0.301206 N\n0.905094 0.905094 0.698794 N\n0.611166 0.611166 0.444669 Nd\n0.388834 0.388834 0.555331 Nd\n0.462643 0.462643 0.356010 O\n0.537357 0.537357 0.643990 O\n0.371616 0.371616 0.033692 Se\n0.786716 0.786716 0.340814 Se\n0.213284 0.213284 0.659186 Se\n0.628384 0.628384 0.966308 Se\n0.192990 0.192990 0.167009 Tb\n0.807010 0.807010 0.832991 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Er2 Se4 N2 O2",
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},
{
"id": "oqmd-1558490",
"created_at": "2022-09-04T15:55:42.245248Z",
"updated_at": "2022-09-04T15:55:42.245277Z",
"structure_string": "Sm2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.791869 -1.969016 0.000000\n7.791869 1.969016 0.000000\n-1.246991 0.000000 9.707233\nGd Ho N O Se Sm\n2 2 2 2 4 2\ndirect\n0.045567 0.045567 0.257758 Gd\n0.954433 0.954433 0.742242 Gd\n0.393363 0.393363 0.054534 Ho\n0.606637 0.606637 0.945466 Ho\n0.903410 0.903410 0.182849 N\n0.096590 0.096590 0.817151 N\n0.536176 0.536176 0.136146 O\n0.463824 0.463824 0.863854 O\n0.212285 0.212285 0.143858 Se\n0.626039 0.626039 0.471697 Se\n0.373961 0.373961 0.528303 Se\n0.787715 0.787715 0.856142 Se\n0.802698 0.802698 0.324481 Sm\n0.197302 0.197302 0.675519 Sm\n",
"nsites": 14,
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],
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"density": 7.363995214842728,
"density_atomic": 0.047001497863513354,
"volume": 297.8628477044349,
"volume_molar": 12.812657114646782,
"formula_full": "Sm2 Gd2 Ho2 Se4 N2 O2",
"formula_reduced": "SmGdHoSe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558146",
"created_at": "2022-09-04T15:55:42.249304Z",
"updated_at": "2022-09-04T15:55:42.249315Z",
"structure_string": "Nd2 Sm2 Dy2 Se4 N2 O2\n1.0\n7.910775 -1.992085 0.000000\n7.910775 1.992085 0.000000\n-1.269405 0.000000 9.789983\nDy N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.196907 0.196907 0.172718 Dy\n0.803093 0.803093 0.827282 Dy\n0.098830 0.098830 0.306048 N\n0.901170 0.901170 0.693952 N\n0.610982 0.610982 0.445929 Nd\n0.389018 0.389018 0.554071 Nd\n0.464328 0.464328 0.356194 O\n0.535672 0.535672 0.643806 O\n0.368819 0.368819 0.022151 Se\n0.787037 0.787037 0.342033 Se\n0.212963 0.212963 0.657967 Se\n0.631181 0.631181 0.977849 Se\n0.955862 0.955862 0.232639 Sm\n0.044138 0.044138 0.767361 Sm\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 13.272773944434189,
"formula_full": "Nd2 Sm2 Dy2 Se4 N2 O2",
"formula_reduced": "NdSmDySe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558177",
"created_at": "2022-09-04T15:55:42.233347Z",
"updated_at": "2022-09-04T15:55:42.233374Z",
"structure_string": "Nd2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.929597 -1.994489 0.000000\n7.929597 1.994489 0.000000\n-1.426510 0.000000 9.892014\nGd N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.954105 0.954105 0.240947 Gd\n0.045895 0.045895 0.759053 Gd\n0.095857 0.095857 0.306458 N\n0.904143 0.904143 0.693542 N\n0.610619 0.610619 0.445671 Nd\n0.389381 0.389381 0.554329 Nd\n0.463287 0.463287 0.358535 O\n0.536713 0.536713 0.641465 O\n0.372394 0.372394 0.032030 Se\n0.786813 0.786813 0.345292 Se\n0.213187 0.213187 0.654708 Se\n0.627606 0.627606 0.967970 Se\n0.194565 0.194565 0.168693 Sm\n0.805435 0.805435 0.831307 Sm\n",
"nsites": 14,
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"elements": [
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],
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"volume": 312.8941759504502,
"volume_molar": 13.459234075412985,
"formula_full": "Nd2 Sm2 Gd2 Se4 N2 O2",
"formula_reduced": "NdSmGdSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}