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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=50",
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"results": [
{
"id": "oqmd-1557964",
"created_at": "2022-09-04T15:55:41.005371Z",
"updated_at": "2022-09-04T15:55:41.005398Z",
"structure_string": "Tb2 Ho2 Tm2 S4 N2 O2\n1.0\n7.530138 -1.901190 0.000000\n7.530138 1.901190 0.000000\n-1.474242 0.000000 9.306333\nHo N O S Tb Tm\n2 2 2 4 2 2\ndirect\n0.388822 0.388822 0.055927 Ho\n0.611178 0.611178 0.944073 Ho\n0.902940 0.902940 0.194171 N\n0.097060 0.097060 0.805829 N\n0.539422 0.539422 0.139273 O\n0.460578 0.460578 0.860727 O\n0.215276 0.215276 0.153685 S\n0.636500 0.636500 0.475375 S\n0.363500 0.363500 0.524625 S\n0.784724 0.784724 0.846315 S\n0.051448 0.051448 0.267437 Tb\n0.948552 0.948552 0.732563 Tb\n0.801095 0.801095 0.327295 Tm\n0.198905 0.198905 0.672705 Tm\n",
"nsites": 14,
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},
{
"id": "oqmd-1558677",
"created_at": "2022-09-04T15:55:45.341805Z",
"updated_at": "2022-09-04T15:55:45.341835Z",
"structure_string": "Nd2 Gd2 Y2 Se4 N2 O2\n1.0\n7.833612 -1.976018 0.000000\n7.833612 1.976018 0.000000\n-1.523307 0.000000 9.832917\nGd N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.393265 0.393265 0.055621 Gd\n0.606735 0.606735 0.944379 Gd\n0.907637 0.907637 0.187906 N\n0.092363 0.092363 0.812094 N\n0.807934 0.807934 0.329218 Nd\n0.192066 0.192066 0.670782 Nd\n0.538743 0.538743 0.135574 O\n0.461257 0.461257 0.864426 O\n0.214490 0.214490 0.145350 Se\n0.626354 0.626354 0.461131 Se\n0.373646 0.373646 0.538869 Se\n0.785510 0.785510 0.854650 Se\n0.049988 0.049988 0.252246 Y\n0.950012 0.950012 0.747754 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
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"Y"
],
"chemical_system": "Gd-N-Nd-O-Se-Y",
"density": 6.309354779334716,
"density_atomic": 0.045989926267698336,
"volume": 304.414491088956,
"volume_molar": 13.094477962296134,
"formula_full": "Nd2 Gd2 Y2 Se4 N2 O2",
"formula_reduced": "NdGdYSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557147",
"created_at": "2022-09-04T15:55:45.322761Z",
"updated_at": "2022-09-04T15:55:45.322788Z",
"structure_string": "Tb2 Gd2 Y2 S4 N2 O2\n1.0\n7.591616 -1.920807 0.000000\n7.591616 1.920807 0.000000\n-1.625376 0.000000 9.442354\nGd N O S Tb Y\n2 2 2 4 2 2\ndirect\n0.197213 0.197213 0.170570 Gd\n0.802787 0.802787 0.829430 Gd\n0.095343 0.095343 0.305929 N\n0.904657 0.904657 0.694071 N\n0.460268 0.460268 0.360935 O\n0.539732 0.539732 0.639065 O\n0.366910 0.366910 0.030812 S\n0.785474 0.785474 0.348763 S\n0.214526 0.214526 0.651237 S\n0.633090 0.633090 0.969188 S\n0.611222 0.611222 0.445239 Tb\n0.388778 0.388778 0.554761 Tb\n0.947603 0.947603 0.236672 Y\n0.052397 0.052397 0.763328 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Gd-N-O-S-Tb-Y",
"density": 6.020609838636459,
"density_atomic": 0.05083932777427283,
"volume": 275.3773626228921,
"volume_molar": 11.845437427375852,
"formula_full": "Tb2 Gd2 Y2 S4 N2 O2",
"formula_reduced": "TbGdYS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.453201384487949,
"spacegroup": 12
},
{
"id": "oqmd-1557974",
"created_at": "2022-09-04T15:55:41.077363Z",
"updated_at": "2022-09-04T15:55:41.077393Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.721986 -1.923495 0.000000\n7.721986 1.923495 0.000000\n-1.564073 0.000000 9.475693\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.948098 0.948098 0.236564 Ho\n0.051902 0.051902 0.763436 Ho\n0.092159 0.092159 0.300875 N\n0.907841 0.907841 0.699125 N\n0.460356 0.460356 0.360060 O\n0.539644 0.539644 0.639940 O\n0.367532 0.367532 0.033761 S\n0.632468 0.632468 0.966239 S\n0.784730 0.784730 0.348860 Se\n0.215270 0.215270 0.651140 Se\n0.191575 0.191575 0.164129 Tb\n0.607352 0.607352 0.441127 Tb\n0.392648 0.392648 0.558873 Tb\n0.808425 0.808425 0.835871 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"S",
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.359898965288063,
"density_atomic": 0.049735557068948805,
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"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1588867",
"created_at": "2022-09-04T15:56:54.241846Z",
"updated_at": "2022-09-04T15:56:54.241874Z",
"structure_string": "Y2 Er2 Tm2 Si4 Ni2 Ge2\n1.0\n5.169432 -2.088076 0.000000\n5.169432 2.088076 0.000000\n-4.733408 0.000000 12.710424\nEr Ge Ni Si Tm Y\n2 2 2 4 2 2\ndirect\n0.530747 0.530747 0.382242 Er\n0.469253 0.469253 0.617758 Er\n0.040981 0.040981 0.236268 Ge\n0.959019 0.959019 0.763732 Ge\n0.251203 0.251203 0.408413 Ni\n0.748797 0.748797 0.591587 Ni\n0.115803 0.115803 0.073349 Si\n0.865305 0.865305 0.455930 Si\n0.134695 0.134695 0.544070 Si\n0.884197 0.884197 0.926651 Si\n0.397451 0.397451 0.076728 Tm\n0.602549 0.602549 0.923272 Tm\n0.744898 0.744898 0.226543 Y\n0.255102 0.255102 0.773457 Y\n",
"nsites": 14,
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"elements": [
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"Si",
"Tm",
"Y"
],
"chemical_system": "Er-Ge-Ni-Si-Tm-Y",
"density": 7.4144574309862845,
"density_atomic": 0.05102098905334367,
"volume": 274.39687586931456,
"volume_molar": 11.803261504208999,
"formula_full": "Y2 Er2 Tm2 Si4 Ni2 Ge2",
"formula_reduced": "YErTmSi2NiGe",
"formula_anonymous": "ABCDEF2",
"formation_energy": -0.8422471907142862,
"spacegroup": 12
},
{
"id": "oqmd-1558609",
"created_at": "2022-09-04T15:55:44.464001Z",
"updated_at": "2022-09-04T15:55:44.464019Z",
"structure_string": "Tb2 Dy2 Y2 Se4 N2 O2\n1.0\n7.758873 -1.951872 0.000000\n7.758873 1.951872 0.000000\n-1.258856 0.000000 9.612267\nDy N O Se Tb Y\n2 2 2 4 2 2\ndirect\n0.044825 0.044825 0.259524 Dy\n0.955175 0.955175 0.740476 Dy\n0.902887 0.902887 0.188334 N\n0.097113 0.097113 0.811666 N\n0.536745 0.536745 0.139927 O\n0.463255 0.463255 0.860073 O\n0.212234 0.212234 0.149087 Se\n0.627694 0.627694 0.472027 Se\n0.372306 0.372306 0.527973 Se\n0.787766 0.787766 0.850913 Se\n0.803216 0.803216 0.326239 Tb\n0.196784 0.196784 0.673761 Tb\n0.391626 0.391626 0.055168 Y\n0.608374 0.608374 0.944832 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-N-O-Se-Tb-Y",
"density": 6.82435013698088,
"density_atomic": 0.048086396930281536,
"volume": 291.1426285545581,
"volume_molar": 12.52358493137103,
"formula_full": "Tb2 Dy2 Y2 Se4 N2 O2",
"formula_reduced": "TbDyYSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.276327071793657,
"spacegroup": 12
},
{
"id": "oqmd-1557213",
"created_at": "2022-09-04T15:55:45.470220Z",
"updated_at": "2022-09-04T15:55:45.470240Z",
"structure_string": "Dy2 Y2 Ho2 S4 N2 O2\n1.0\n7.548081 -1.907307 0.000000\n7.548081 1.907307 0.000000\n-1.562688 0.000000 9.357588\nDy Ho N O S Y\n2 2 2 2 4 2\ndirect\n0.388732 0.388732 0.055839 Dy\n0.611268 0.611268 0.944161 Dy\n0.801741 0.801741 0.328499 Ho\n0.198259 0.198259 0.671501 Ho\n0.903738 0.903738 0.195599 N\n0.096262 0.096262 0.804401 N\n0.539496 0.539496 0.139035 O\n0.460504 0.460504 0.860965 O\n0.215099 0.215099 0.152974 S\n0.635455 0.635455 0.472001 S\n0.364545 0.364545 0.527999 S\n0.784901 0.784901 0.847026 S\n0.052001 0.052001 0.265555 Y\n0.947999 0.947999 0.734445 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Ho-N-O-S-Y",
"density": 6.29216609187436,
"density_atomic": 0.051960935963402836,
"volume": 269.433175912391,
"volume_molar": 11.589746505416144,
"formula_full": "Dy2 Y2 Ho2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558436",
"created_at": "2022-09-04T15:55:40.759013Z",
"updated_at": "2022-09-04T15:55:40.759037Z",
"structure_string": "Tb2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.811539 -1.972650 0.000000\n7.811539 1.972650 0.000000\n-1.293646 0.000000 9.736479\nGd N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.045542 0.045542 0.258121 Gd\n0.954458 0.954458 0.741879 Gd\n0.903423 0.903423 0.185384 N\n0.096577 0.096577 0.814616 N\n0.536243 0.536243 0.137498 O\n0.463757 0.463757 0.862502 O\n0.212413 0.212413 0.145925 Se\n0.626356 0.626356 0.471122 Se\n0.373644 0.373644 0.528878 Se\n0.787587 0.787587 0.854075 Se\n0.803204 0.803204 0.325942 Sm\n0.196796 0.196796 0.674058 Sm\n0.392356 0.392356 0.054281 Tb\n0.607644 0.607644 0.945719 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Sm2 Gd2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1588992",
"created_at": "2022-09-04T15:56:55.107342Z",
"updated_at": "2022-09-04T15:56:55.107368Z",
"structure_string": "Y2 Er2 Tm2 Si2 Ni2 Ge4\n1.0\n5.185621 -2.104999 0.000000\n5.185621 2.104999 0.000000\n-4.743392 0.000000 12.747519\nEr Ge Ni Si Tm Y\n2 4 2 2 2 2\ndirect\n0.397383 0.397383 0.076423 Er\n0.602617 0.602617 0.923577 Er\n0.040455 0.040455 0.233605 Ge\n0.858562 0.858562 0.454325 Ge\n0.141438 0.141438 0.545675 Ge\n0.959545 0.959545 0.766395 Ge\n0.246221 0.246221 0.397771 Ni\n0.753779 0.753779 0.602229 Ni\n0.116313 0.116313 0.073645 Si\n0.883687 0.883687 0.926355 Si\n0.743466 0.743466 0.224410 Tm\n0.256534 0.256534 0.775590 Tm\n0.530167 0.530167 0.379889 Y\n0.469833 0.469833 0.620111 Y\n",
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},
{
"id": "oqmd-1558714",
"created_at": "2022-09-04T15:55:44.420083Z",
"updated_at": "2022-09-04T15:55:44.420112Z",
"structure_string": "Nd2 Gd2 Tm2 S4 N2 O2\n1.0\n7.620655 -1.937752 0.000000\n7.620655 1.937752 0.000000\n-1.237967 0.000000 9.398380\nGd N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.613455 0.613455 0.447072 Gd\n0.386545 0.386545 0.552928 Gd\n0.103123 0.103123 0.308788 N\n0.896877 0.896877 0.691212 N\n0.954301 0.954301 0.222340 Nd\n0.045699 0.045699 0.777660 Nd\n0.464166 0.464166 0.358037 O\n0.535834 0.535834 0.641963 O\n0.362341 0.362341 0.012900 S\n0.787622 0.787622 0.343853 S\n0.212378 0.212378 0.656147 S\n0.637659 0.637659 0.987100 S\n0.204759 0.204759 0.175701 Tm\n0.795241 0.795241 0.824299 Tm\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.05043761528490909,
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"formula_full": "Nd2 Gd2 Tm2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1589002",
"created_at": "2022-09-04T15:56:55.096824Z",
"updated_at": "2022-09-04T15:56:55.096852Z",
"structure_string": "Y2 Er2 Tm2 Si2 Ni2 Ge4\n1.0\n5.198831 -2.100489 0.000000\n5.198831 2.100489 0.000000\n-4.717570 0.000000 12.788905\nEr Ge Ni Si Tm Y\n2 4 2 2 2 2\ndirect\n0.253245 0.253245 0.272297 Er\n0.746755 0.746755 0.727703 Er\n0.142345 0.142345 0.044437 Ge\n0.875430 0.875430 0.423015 Ge\n0.124570 0.124570 0.576985 Ge\n0.857655 0.857655 0.955563 Ge\n0.758471 0.758471 0.105720 Ni\n0.241529 0.241529 0.894280 Ni\n0.955934 0.955934 0.264132 Si\n0.044066 0.044066 0.735868 Si\n0.597091 0.597091 0.419866 Tm\n0.402909 0.402909 0.580134 Tm\n0.470355 0.470355 0.121107 Y\n0.529645 0.529645 0.878893 Y\n",
"nsites": 14,
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"elements": [
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],
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"volume": 279.31191886817413,
"volume_molar": 12.014683509784604,
"formula_full": "Y2 Er2 Tm2 Si2 Ni2 Ge4",
"formula_reduced": "YErTmSiNiGe2",
"formula_anonymous": "ABCDEF2",
"formation_energy": -0.8246773178571425,
"spacegroup": 12
},
{
"id": "oqmd-1557816",
"created_at": "2022-09-04T15:55:40.951342Z",
"updated_at": "2022-09-04T15:55:40.951360Z",
"structure_string": "Tb2 Ho2 Er2 Se4 N2 O2\n1.0\n7.715983 -1.943258 0.000000\n7.715983 1.943258 0.000000\n-1.166103 0.000000 9.555091\nEr Ho N O Se Tb\n2 2 2 2 4 2\ndirect\n0.607393 0.607393 0.444225 Er\n0.392607 0.392607 0.555775 Er\n0.197545 0.197545 0.175923 Ho\n0.802455 0.802455 0.824077 Ho\n0.097753 0.097753 0.314111 N\n0.902247 0.902247 0.685889 N\n0.463918 0.463918 0.362615 O\n0.536082 0.536082 0.637385 O\n0.371016 0.371016 0.024808 Se\n0.786994 0.786994 0.350992 Se\n0.213006 0.213006 0.649008 Se\n0.628984 0.628984 0.975192 Se\n0.955417 0.955417 0.238942 Tb\n0.044583 0.044583 0.761058 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ho-N-O-Se-Tb",
"density": 7.870247569378709,
"density_atomic": 0.04885865260587783,
"volume": 286.54085312036955,
"volume_molar": 12.32563822129536,
"formula_full": "Tb2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "TbHoErSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}