HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=26",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=24",
"results": [
{
"id": "oqmd-1557136",
"created_at": "2022-09-04T15:55:46.908868Z",
"updated_at": "2022-09-04T15:55:46.908894Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.752882 -1.932678 0.000000\n7.752882 1.932678 0.000000\n-1.478996 0.000000 9.482197\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.608128 0.608128 0.441607 Gd\n0.391872 0.391872 0.558393 Gd\n0.094137 0.094137 0.300529 N\n0.905863 0.905863 0.699471 N\n0.461675 0.461675 0.358434 O\n0.538325 0.538325 0.641566 O\n0.365190 0.365190 0.030380 S\n0.634810 0.634810 0.969620 S\n0.785632 0.785632 0.348161 Se\n0.214368 0.214368 0.651839 Se\n0.949725 0.949725 0.232750 Tb\n0.050275 0.050275 0.767250 Tb\n0.194134 0.194134 0.165317 Y\n0.805866 0.805866 0.834683 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "Gd-N-O-S-Se-Tb-Y",
"density": 6.382626113721922,
"density_atomic": 0.04926816521436661,
"volume": 284.1591510275604,
"volume_molar": 12.223188612357626,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.356553202486041,
"spacegroup": 12
},
{
"id": "oqmd-1557103",
"created_at": "2022-09-04T15:55:46.731062Z",
"updated_at": "2022-09-04T15:55:46.731084Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.819115 -1.938038 0.000000\n7.819115 1.938038 0.000000\n-1.632303 0.000000 9.598570\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.948586 0.948586 0.233746 Ho\n0.051414 0.051414 0.766254 Ho\n0.091877 0.091877 0.291808 N\n0.908123 0.908123 0.708192 N\n0.610340 0.610340 0.440954 Nd\n0.389660 0.389660 0.559046 Nd\n0.460076 0.460076 0.354811 O\n0.539924 0.539924 0.645189 O\n0.365467 0.365467 0.034915 S\n0.634533 0.634533 0.965085 S\n0.784603 0.784603 0.340332 Se\n0.215397 0.215397 0.659668 Se\n0.190858 0.190858 0.159259 Y\n0.809142 0.809142 0.840741 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Y",
"density": 6.154594888800302,
"density_atomic": 0.04812509665760026,
"volume": 290.9085066281944,
"volume_molar": 12.51351410854557,
"formula_full": "Nd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4160372855098493,
"spacegroup": 12
},
{
"id": "oqmd-1557338",
"created_at": "2022-09-04T15:55:48.312438Z",
"updated_at": "2022-09-04T15:55:48.312462Z",
"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.735940 -1.926342 0.000000\n7.735940 1.926342 0.000000\n-1.524952 0.000000 9.484960\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051465 0.051465 0.265481 Dy\n0.948535 0.948535 0.734519 Dy\n0.392098 0.392098 0.059316 Gd\n0.607902 0.607902 0.940684 Gd\n0.907223 0.907223 0.200701 N\n0.092777 0.092777 0.799299 N\n0.539453 0.539453 0.141120 O\n0.460547 0.460547 0.858880 O\n0.634219 0.634219 0.467748 S\n0.365781 0.365781 0.532252 S\n0.215101 0.215101 0.152576 Se\n0.784899 0.784899 0.847424 Se\n0.807445 0.807445 0.335755 Y\n0.192555 0.192555 0.664245 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Y",
"density": 6.457769418134443,
"density_atomic": 0.04952403820310419,
"volume": 282.69100234888504,
"volume_molar": 12.160035769503404,
"formula_full": "Gd2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "GdDyYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.453168531343184,
"spacegroup": 12
},
{
"id": "oqmd-1557138",
"created_at": "2022-09-04T15:55:47.586947Z",
"updated_at": "2022-09-04T15:55:47.586973Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.601437 -1.965912 0.000000\n7.601437 1.965912 0.000000\n-0.764623 0.000000 9.497400\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.890316 0.890316 0.174322 N\n0.109684 0.109684 0.825678 N\n0.032589 0.032589 0.274793 Nd\n0.967411 0.967411 0.725207 Nd\n0.529908 0.529908 0.143214 O\n0.470092 0.470092 0.856786 O\n0.206300 0.206300 0.155163 S\n0.793700 0.793700 0.844837 S\n0.625298 0.625298 0.497797 Se\n0.374702 0.374702 0.502203 Se\n0.385562 0.385562 0.045711 Tb\n0.614438 0.614438 0.954289 Tb\n0.787220 0.787220 0.315218 Y\n0.212780 0.212780 0.684782 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"N",
"Nd",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-Nd-O-S-Se-Tb-Y",
"density": 6.237302101136187,
"density_atomic": 0.049321188855663944,
"volume": 283.8536605630152,
"volume_molar": 12.210047851083845,
"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.349151262128898,
"spacegroup": 12
},
{
"id": "oqmd-1557313",
"created_at": "2022-09-04T15:55:48.203845Z",
"updated_at": "2022-09-04T15:55:48.203872Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.632988 -1.963156 0.000000\n7.632988 1.963156 0.000000\n-1.586892 0.000000 9.723175\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610097 0.610097 0.448326 Dy\n0.389903 0.389903 0.551674 Dy\n0.095261 0.095261 0.318651 N\n0.904739 0.904739 0.681349 N\n0.198122 0.198122 0.178723 Nd\n0.801878 0.801878 0.821277 Nd\n0.460684 0.460684 0.365037 O\n0.539316 0.539316 0.634963 O\n0.786582 0.786582 0.356207 S\n0.213418 0.213418 0.643793 S\n0.374780 0.374780 0.033863 Se\n0.625220 0.625220 0.966137 Se\n0.949247 0.949247 0.248272 Y\n0.050753 0.050753 0.751728 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"N",
"Nd",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Dy-N-Nd-O-S-Se-Y",
"density": 6.116544858912635,
"density_atomic": 0.048044153553197605,
"volume": 291.39861907439564,
"volume_molar": 12.53459643811165,
"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "NdDyYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4327863181288985,
"spacegroup": 12
},
{
"id": "oqmd-120309",
"created_at": "2022-09-04T15:33:29.455535Z",
"updated_at": "2022-09-04T15:33:29.455569Z",
"structure_string": "Zn2 H24 C4 S4 N8 Cl4 O8\n1.0\n13.945381 0.000000 0.000000\n0.000000 4.706873 0.000000\n0.000000 0.000000 8.676215\nC Cl H N O S Zn\n4 4 24 8 8 4 2\ndirect\n0.360884 0.131098 0.369579 C\n0.639116 0.131098 0.369579 C\n0.139115 0.868902 0.869580 C\n0.860885 0.868902 0.869580 C\n0.500000 0.268507 0.037301 Cl\n0.000000 0.446131 0.076414 Cl\n0.000000 0.731494 0.537300 Cl\n0.500000 0.553869 0.576414 Cl\n0.178984 0.170891 0.175896 H\n0.821016 0.170891 0.175896 H\n0.378482 0.248305 0.264143 H\n0.621518 0.248305 0.264143 H\n0.421740 0.004810 0.411236 H\n0.578260 0.004810 0.411236 H\n0.171252 0.377750 0.441657 H\n0.828749 0.377750 0.441657 H\n0.336538 0.273460 0.461513 H\n0.663461 0.273460 0.461513 H\n0.104918 0.088469 0.480136 H\n0.895082 0.088469 0.480136 H\n0.321016 0.829111 0.675896 H\n0.678984 0.829111 0.675896 H\n0.121518 0.751697 0.764142 H\n0.878482 0.751697 0.764142 H\n0.078260 0.995189 0.911236 H\n0.921740 0.995189 0.911236 H\n0.328749 0.622250 0.941657 H\n0.671251 0.622250 0.941657 H\n0.163461 0.726540 0.961514 H\n0.836539 0.726540 0.961514 H\n0.395082 0.911531 0.980136 H\n0.604919 0.911531 0.980136 H\n0.170307 0.061168 0.277849 N\n0.829693 0.061168 0.277849 N\n0.125712 0.227684 0.394345 N\n0.874288 0.227684 0.394345 N\n0.329693 0.938834 0.777850 N\n0.670308 0.938834 0.777850 N\n0.374287 0.772315 0.894346 N\n0.625713 0.772315 0.894346 N\n0.293694 0.714884 0.196601 O\n0.706306 0.714884 0.196601 O\n0.245372 0.742121 0.472941 O\n0.754628 0.742121 0.472941 O\n0.206306 0.285117 0.696600 O\n0.793694 0.285117 0.696600 O\n0.254628 0.257880 0.972940 O\n0.745372 0.257880 0.972940 O\n0.269304 0.885614 0.329122 S\n0.730696 0.885614 0.329122 S\n0.230696 0.114388 0.829122 S\n0.769304 0.114388 0.829122 S\n0.000000 0.436296 0.330257 Zn\n0.500000 0.563705 0.830257 Zn\n",
"nsites": 54,
"nelements": 7,
"elements": [
"C",
"Cl",
"H",
"N",
"O",
"S",
"Zn"
],
"chemical_system": "C-Cl-H-N-O-S-Zn",
"density": 2.0794587458488807,
"density_atomic": 0.09482013949169052,
"volume": 569.4992676606665,
"volume_molar": 6.3511199121656485,
"formula_full": "Zn2 H24 C4 S4 N8 Cl4 O8",
"formula_reduced": "ZnH12C2S2N4(ClO2)2",
"formula_anonymous": "AB2C2D2E4F4G12",
"formation_energy": -0.593054670939412,
"spacegroup": 31
},
{
"id": "oqmd-1557618",
"created_at": "2022-09-04T15:55:46.932162Z",
"updated_at": "2022-09-04T15:55:46.932172Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.815518 -1.930607 0.000000\n7.815518 1.930607 0.000000\n-1.651278 0.000000 9.580810\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.809954 0.809954 0.341102 Dy\n0.190046 0.190046 0.658898 Dy\n0.051672 0.051672 0.266652 Er\n0.948328 0.948328 0.733348 Er\n0.908594 0.908594 0.209494 N\n0.091406 0.091406 0.790506 N\n0.389961 0.389961 0.059242 Nd\n0.610039 0.610039 0.940758 Nd\n0.540259 0.540259 0.145889 O\n0.459741 0.459741 0.854111 O\n0.633846 0.633846 0.464923 S\n0.366154 0.366154 0.535077 S\n0.215450 0.215450 0.160588 Se\n0.784550 0.784550 0.839412 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-N-Nd-O-S-Se",
"density": 7.064688360772128,
"density_atomic": 0.048422161093972384,
"volume": 289.1238161144924,
"volume_molar": 12.436745126498785,
"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.418603313128898,
"spacegroup": 12
},
{
"id": "oqmd-1557658",
"created_at": "2022-09-04T15:55:39.591619Z",
"updated_at": "2022-09-04T15:55:39.591638Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.731086 -1.916608 0.000000\n7.731086 1.916608 0.000000\n-1.588505 0.000000 9.472710\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.808919 0.808919 0.337340 Dy\n0.191081 0.191081 0.662660 Dy\n0.052065 0.052065 0.264228 Er\n0.947935 0.947935 0.735772 Er\n0.392095 0.392095 0.059644 Gd\n0.607905 0.607905 0.940356 Gd\n0.908076 0.908076 0.202692 N\n0.091924 0.091924 0.797308 N\n0.540030 0.540030 0.141429 O\n0.459970 0.459970 0.858571 O\n0.633171 0.633171 0.465556 S\n0.366829 0.366829 0.534444 S\n0.215292 0.215292 0.153556 Se\n0.784708 0.784708 0.846444 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"Gd",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Gd-N-O-S-Se",
"density": 7.429993412332584,
"density_atomic": 0.04987122053716249,
"volume": 280.72302721301224,
"volume_molar": 12.075382746071929,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.459144201343183,
"spacegroup": 12
},
{
"id": "oqmd-1557289",
"created_at": "2022-09-04T15:55:46.643848Z",
"updated_at": "2022-09-04T15:55:46.643887Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.724175 -1.926068 0.000000\n7.724175 1.926068 0.000000\n-1.576669 0.000000 9.492749\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.191159 0.191159 0.164236 Gd\n0.808841 0.808841 0.835764 Gd\n0.947803 0.947803 0.238151 Ho\n0.052197 0.052197 0.761849 Ho\n0.091819 0.091819 0.302123 N\n0.908181 0.908181 0.697877 N\n0.459797 0.459797 0.360530 O\n0.540203 0.540203 0.639470 O\n0.368159 0.368159 0.034726 S\n0.631841 0.631841 0.965274 S\n0.784632 0.784632 0.350587 Se\n0.215368 0.215368 0.649413 Se\n0.607110 0.607110 0.441055 Y\n0.392890 0.392890 0.558945 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Y",
"density": 6.491793714882334,
"density_atomic": 0.04956582300819981,
"volume": 282.45268917826587,
"volume_molar": 12.14978465908604,
"formula_full": "Gd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.447248311581278,
"spacegroup": 12
},
{
"id": "oqmd-33475",
"created_at": "2022-09-04T15:33:35.771772Z",
"updated_at": "2022-09-04T15:33:35.771803Z",
"structure_string": "Ca4 Al4 Fe2 Si8 B2 H2 O32\n1.0\n7.131405 0.003511 -0.010134\n2.019772 8.951864 -0.000073\n-1.276590 -0.000457 8.855272\nAl B Ca Fe H O Si\n4 2 4 2 2 32 8\ndirect\n0.053847 0.800903 0.253017 Al\n0.350222 0.935967 0.421314 Al\n0.649770 0.064037 0.578694 Al\n0.946194 0.199120 0.746988 Al\n0.463350 0.632335 0.287771 B\n0.536548 0.367633 0.712286 B\n0.183163 0.099888 0.083170 Ca\n0.749264 0.347893 0.394776 Ca\n0.250738 0.652115 0.605207 Ca\n0.816818 0.900119 0.916831 Ca\n0.768192 0.592293 0.113125 Fe\n0.231826 0.407731 0.886851 Fe\n0.985957 0.042261 0.377462 H\n0.014056 0.957732 0.622530 H\n0.123286 0.846296 0.065400 O\n0.598852 0.134963 0.085499 O\n0.231893 0.335442 0.095652 O\n0.466131 0.653354 0.123308 O\n0.770381 0.366501 0.141868 O\n0.793508 0.872040 0.175985 O\n0.054236 0.604214 0.186389 O\n0.434263 0.980193 0.243666 O\n0.421253 0.484147 0.314360 O\n0.093922 0.996781 0.321438 O\n0.325826 0.744688 0.354746 O\n0.675208 0.617657 0.355116 O\n0.128765 0.374428 0.369873 O\n0.724359 0.099629 0.384660 O\n0.981479 0.758337 0.435341 O\n0.381094 0.127928 0.494641 O\n0.618921 0.872046 0.505353 O\n0.018485 0.241668 0.564644 O\n0.275636 0.900375 0.615337 O\n0.871227 0.625533 0.630109 O\n0.324802 0.382338 0.644905 O\n0.674173 0.255318 0.645268 O\n0.906071 0.003216 0.678561 O\n0.578753 0.515845 0.685654 O\n0.565747 0.019804 0.756335 O\n0.945732 0.395819 0.813591 O\n0.206498 0.127971 0.824028 O\n0.229665 0.633459 0.858180 O\n0.533968 0.346607 0.876723 O\n0.768109 0.664551 0.904292 O\n0.401133 0.865025 0.914478 O\n0.876702 0.153726 0.934573 O\n0.698346 0.256911 0.012136 Si\n0.640947 0.018375 0.229890 Si\n0.210577 0.449213 0.234104 Si\n0.783037 0.724887 0.476269 Si\n0.216955 0.275141 0.523751 Si\n0.789552 0.550809 0.765919 Si\n0.359042 0.981649 0.770118 Si\n0.301521 0.743081 0.987820 Si\n",
"nsites": 54,
"nelements": 7,
"elements": [
"Al",
"B",
"Ca",
"Fe",
"H",
"O",
"Si"
],
"chemical_system": "Al-B-Ca-Fe-H-O-Si",
"density": 3.3503379924239503,
"density_atomic": 0.09555215879451985,
"volume": 565.136368254372,
"volume_molar": 6.302464367079673,
"formula_full": "Ca4 Al4 Fe2 Si8 B2 H2 O32",
"formula_reduced": "Ca2Al2FeSi4BHO16",
"formula_anonymous": "ABCD2E2F4G16",
"formation_energy": -2.95912249406142,
"spacegroup": 2
},
{
"id": "oqmd-1557348",
"created_at": "2022-09-04T15:55:48.325253Z",
"updated_at": "2022-09-04T15:55:48.325277Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.726914 -1.922976 0.000000\n7.726914 1.922976 0.000000\n-1.569656 0.000000 9.486074\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.607883 0.607883 0.440407 Gd\n0.392117 0.392117 0.559593 Gd\n0.947915 0.947915 0.236198 Ho\n0.052085 0.052085 0.763802 Ho\n0.091901 0.091901 0.298886 N\n0.908099 0.908099 0.701114 N\n0.459941 0.459941 0.359199 O\n0.540059 0.540059 0.640801 O\n0.366060 0.366060 0.033895 S\n0.633940 0.633940 0.966105 S\n0.784446 0.784446 0.347432 Se\n0.215554 0.215554 0.652568 Se\n0.191595 0.191595 0.163343 Y\n0.808405 0.808405 0.836657 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Y",
"density": 6.504500906499533,
"density_atomic": 0.04966284433054797,
"volume": 281.90088966347224,
"volume_molar": 12.126048842304705,
"formula_full": "Gd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.455251528724136,
"spacegroup": 12
},
{
"id": "oqmd-1557125",
"created_at": "2022-09-04T15:55:46.848425Z",
"updated_at": "2022-09-04T15:55:46.848446Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.614032 -1.966133 0.000000\n7.614032 1.966133 0.000000\n-0.721589 0.000000 9.488760\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.110127 0.110127 0.327425 N\n0.889873 0.889873 0.672575 N\n0.968507 0.968507 0.224518 Nd\n0.031493 0.031493 0.775482 Nd\n0.469911 0.469911 0.355645 O\n0.530089 0.530089 0.644355 O\n0.794292 0.794292 0.344631 S\n0.205708 0.205708 0.655369 S\n0.376451 0.376451 0.000231 Se\n0.623549 0.623549 0.999769 Se\n0.213193 0.213193 0.185343 Tb\n0.786807 0.786807 0.814657 Tb\n0.614167 0.614167 0.455026 Y\n0.385833 0.385833 0.544974 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"N",
"Nd",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-Nd-O-S-Se-Tb-Y",
"density": 6.231953879463786,
"density_atomic": 0.049278898030741675,
"volume": 284.09726190034473,
"volume_molar": 12.220526433531866,
"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.339867041414612,
"spacegroup": 12
}
]
}