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{
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"results": [
{
"id": "oqmd-1558737",
"created_at": "2022-09-04T15:55:44.933845Z",
"updated_at": "2022-09-04T15:55:44.933864Z",
"structure_string": "Nd2 Gd2 Ho2 S4 N2 O2\n1.0\n7.666696 -1.936114 0.000000\n7.666696 1.936114 0.000000\n-1.579171 0.000000 9.512804\nGd Ho N Nd O S\n2 2 2 2 2 4\ndirect\n0.949297 0.949297 0.229348 Gd\n0.050703 0.050703 0.770652 Gd\n0.198034 0.198034 0.167535 Ho\n0.801966 0.801966 0.832465 Ho\n0.096943 0.096943 0.297723 N\n0.903057 0.903057 0.702277 N\n0.614274 0.614274 0.445724 Nd\n0.385726 0.385726 0.554276 Nd\n0.460905 0.460905 0.354527 O\n0.539095 0.539095 0.645473 O\n0.363726 0.363726 0.025677 S\n0.785425 0.785425 0.337693 S\n0.214575 0.214575 0.662307 S\n0.636274 0.636274 0.974323 S\n",
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],
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"volume_molar": 12.147882410771224,
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"formula_reduced": "NdGdHoS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558532",
"created_at": "2022-09-04T15:55:43.899285Z",
"updated_at": "2022-09-04T15:55:43.899313Z",
"structure_string": "Gd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.746739 -1.939142 0.000000\n7.746739 1.939142 0.000000\n-1.357989 0.000000 9.598772\nEr Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.045873 0.045873 0.259210 Er\n0.954127 0.954127 0.740790 Er\n0.391030 0.391030 0.056247 Gd\n0.608970 0.608970 0.943753 Gd\n0.805330 0.805330 0.328409 Ho\n0.194670 0.194670 0.671591 Ho\n0.904106 0.904106 0.193599 N\n0.095894 0.095894 0.806401 N\n0.537039 0.537039 0.141040 O\n0.462961 0.462961 0.858960 O\n0.213150 0.213150 0.153923 Se\n0.628973 0.628973 0.469637 Se\n0.371027 0.371027 0.530363 Se\n0.786850 0.786850 0.846077 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"O",
"Se"
],
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"density": 7.800598161072359,
"density_atomic": 0.048546041969615504,
"volume": 288.3860234942009,
"volume_molar": 12.405008762133892,
"formula_full": "Gd2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "GdHoErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.380250193150798,
"spacegroup": 12
},
{
"id": "oqmd-1558504",
"created_at": "2022-09-04T15:55:43.842512Z",
"updated_at": "2022-09-04T15:55:43.842535Z",
"structure_string": "Tb2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.763073 -1.952312 0.000000\n7.763073 1.952312 0.000000\n-1.398463 0.000000 9.669975\nGd Ho N O Se Tb\n2 2 2 2 4 2\ndirect\n0.806377 0.806377 0.328007 Gd\n0.193623 0.193623 0.671993 Gd\n0.047728 0.047728 0.255732 Ho\n0.952272 0.952272 0.744268 Ho\n0.905768 0.905768 0.189847 N\n0.094232 0.094232 0.810153 N\n0.538126 0.538126 0.138076 O\n0.461874 0.461874 0.861924 O\n0.214139 0.214139 0.149384 Se\n0.627998 0.627998 0.466859 Se\n0.372002 0.372002 0.533141 Se\n0.785861 0.785861 0.850616 Se\n0.392242 0.392242 0.056159 Tb\n0.607758 0.607758 0.943841 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
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"Tb"
],
"chemical_system": "Gd-Ho-N-O-Se-Tb",
"density": 7.580320946363567,
"density_atomic": 0.047762801806149474,
"volume": 293.1151329191391,
"volume_molar": 12.60843278089404,
"formula_full": "Tb2 Gd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbGdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2824933431031806,
"spacegroup": 12
},
{
"id": "oqmd-1558515",
"created_at": "2022-09-04T15:55:43.845123Z",
"updated_at": "2022-09-04T15:55:43.845141Z",
"structure_string": "Tb2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.832242 -1.972357 0.000000\n7.832242 1.972357 0.000000\n-1.296184 0.000000 9.718857\nGd N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.955292 0.955292 0.236845 Gd\n0.044708 0.044708 0.763155 Gd\n0.097459 0.097459 0.307727 N\n0.902541 0.902541 0.692273 N\n0.463811 0.463811 0.357861 O\n0.536189 0.536189 0.642139 O\n0.370728 0.370728 0.026090 Se\n0.787302 0.787302 0.346114 Se\n0.212698 0.212698 0.653886 Se\n0.629272 0.629272 0.973910 Se\n0.609892 0.609892 0.445448 Sm\n0.390108 0.390108 0.554552 Sm\n0.196530 0.196530 0.172288 Tb\n0.803470 0.803470 0.827712 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Gd-N-O-Se-Sm-Tb",
"density": 7.238462886689063,
"density_atomic": 0.04662418188774774,
"volume": 300.2733653044329,
"volume_molar": 12.91634623101568,
"formula_full": "Tb2 Sm2 Gd2 Se4 N2 O2",
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"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1588815",
"created_at": "2022-09-04T15:56:54.174109Z",
"updated_at": "2022-09-04T15:56:54.174128Z",
"structure_string": "Y2 Er2 Tm2 Si2 Ni2 Ge4\n1.0\n5.207629 -2.100975 0.000000\n5.207629 2.100975 0.000000\n-4.711446 0.000000 12.797598\nEr Ge Ni Si Tm Y\n2 4 2 2 2 2\ndirect\n0.531082 0.531082 0.380566 Er\n0.468918 0.468918 0.619434 Er\n0.123214 0.123214 0.079505 Ge\n0.859175 0.859175 0.456059 Ge\n0.140825 0.140825 0.543941 Ge\n0.876786 0.876786 0.920495 Ge\n0.242869 0.242869 0.395973 Ni\n0.757131 0.757131 0.604027 Ni\n0.045143 0.045143 0.239245 Si\n0.954857 0.954857 0.760755 Si\n0.747250 0.747250 0.230101 Tm\n0.252750 0.252750 0.769899 Tm\n0.402120 0.402120 0.081241 Y\n0.597880 0.597880 0.918759 Y\n",
"nsites": 14,
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"elements": [
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"Ge",
"Ni",
"Si",
"Tm",
"Y"
],
"chemical_system": "Er-Ge-Ni-Si-Tm-Y",
"density": 7.79344517927459,
"density_atomic": 0.049992937350721425,
"volume": 280.03955642342294,
"volume_molar": 12.045983051070108,
"formula_full": "Y2 Er2 Tm2 Si2 Ni2 Ge4",
"formula_reduced": "YErTmSiNiGe2",
"formula_anonymous": "ABCDEF2",
"formation_energy": -0.833171130714285,
"spacegroup": 12
},
{
"id": "oqmd-1558506",
"created_at": "2022-09-04T15:55:43.866985Z",
"updated_at": "2022-09-04T15:55:43.867020Z",
"structure_string": "Gd2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.738429 -1.949814 0.000000\n7.738429 1.949814 0.000000\n-1.303478 0.000000 9.632109\nDy Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.046164 0.046164 0.257225 Dy\n0.953836 0.953836 0.742775 Dy\n0.804219 0.804219 0.325376 Gd\n0.195781 0.195781 0.674624 Gd\n0.392965 0.392965 0.055387 Ho\n0.607035 0.607035 0.944613 Ho\n0.904068 0.904068 0.186100 N\n0.095932 0.095932 0.813900 N\n0.536846 0.536846 0.137078 O\n0.463154 0.463154 0.862922 O\n0.213089 0.213089 0.146391 Se\n0.626921 0.626921 0.470793 Se\n0.373079 0.373079 0.529207 Se\n0.786911 0.786911 0.853609 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.684979804650295,
"density_atomic": 0.04816490020441425,
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"volume_molar": 12.503172921446389,
"formula_full": "Gd2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "GdDyHoSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558518",
"created_at": "2022-09-04T15:55:43.892297Z",
"updated_at": "2022-09-04T15:55:43.892307Z",
"structure_string": "Sm2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.809289 -1.968511 0.000000\n7.809289 1.968511 0.000000\n-1.422581 0.000000 9.758444\nDy Gd N O Se Sm\n2 2 2 2 4 2\ndirect\n0.952234 0.952234 0.245195 Dy\n0.047766 0.047766 0.754805 Dy\n0.608070 0.608070 0.444455 Gd\n0.391930 0.391930 0.555545 Gd\n0.094151 0.094151 0.311294 N\n0.905849 0.905849 0.688706 N\n0.462269 0.462269 0.362532 O\n0.537731 0.537731 0.637468 O\n0.373542 0.373542 0.034810 Se\n0.786207 0.786207 0.351599 Se\n0.213793 0.213793 0.648401 Se\n0.626458 0.626458 0.965190 Se\n0.193655 0.193655 0.170855 Sm\n0.806345 0.806345 0.829145 Sm\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Gd-N-O-Se-Sm",
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"density_atomic": 0.046662513081281595,
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"volume_molar": 12.905736023068478,
"formula_full": "Sm2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "SmGdDySe2NO",
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},
{
"id": "oqmd-1558542",
"created_at": "2022-09-04T15:55:43.909538Z",
"updated_at": "2022-09-04T15:55:43.909557Z",
"structure_string": "Tb2 Sm2 Y2 Se4 N2 O2\n1.0\n7.792049 -1.971486 0.000000\n7.792049 1.971486 0.000000\n-1.100305 0.000000 9.632196\nN O Se Sm Tb Y\n2 2 4 2 2 2\ndirect\n0.099075 0.099075 0.314304 N\n0.900925 0.900925 0.685696 N\n0.464426 0.464426 0.360466 O\n0.535574 0.535574 0.639534 O\n0.369166 0.369166 0.020552 Se\n0.787494 0.787494 0.350779 Se\n0.212506 0.212506 0.649221 Se\n0.630834 0.630834 0.979448 Se\n0.956262 0.956262 0.234072 Sm\n0.043738 0.043738 0.765928 Sm\n0.608035 0.608035 0.445132 Tb\n0.391965 0.391965 0.554868 Tb\n0.199648 0.199648 0.177165 Y\n0.800352 0.800352 0.822835 Y\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.0473072122579693,
"volume": 295.9379623482587,
"volume_molar": 12.729857610634241,
"formula_full": "Tb2 Sm2 Y2 Se4 N2 O2",
"formula_reduced": "TbSmYSe2NO",
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"formation_energy": -2.266262222626989,
"spacegroup": 12
},
{
"id": "oqmd-1558423",
"created_at": "2022-09-04T15:55:43.935174Z",
"updated_at": "2022-09-04T15:55:43.935191Z",
"structure_string": "Tb2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.765606 -1.953472 0.000000\n7.765606 1.953472 0.000000\n-1.265050 0.000000 9.621992\nGd Ho N O Se Tb\n2 2 2 2 4 2\ndirect\n0.609176 0.609176 0.444915 Gd\n0.390824 0.390824 0.555085 Gd\n0.196635 0.196635 0.173842 Ho\n0.803365 0.803365 0.826158 Ho\n0.097732 0.097732 0.309308 N\n0.902268 0.902268 0.690692 N\n0.463844 0.463844 0.359355 O\n0.536156 0.536156 0.640645 O\n0.370403 0.370403 0.025143 Se\n0.787019 0.787019 0.347388 Se\n0.212981 0.212981 0.652612 Se\n0.629597 0.629597 0.974857 Se\n0.955448 0.955448 0.237583 Tb\n0.044552 0.044552 0.762417 Tb\n",
"nsites": 14,
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"formula_full": "Tb2 Gd2 Ho2 Se4 N2 O2",
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},
{
"id": "oqmd-1558569",
"created_at": "2022-09-04T15:55:43.973650Z",
"updated_at": "2022-09-04T15:55:43.973671Z",
"structure_string": "Sm2 Y2 Ho2 Se4 N2 O2\n1.0\n7.782263 -1.958060 0.000000\n7.782263 1.958060 0.000000\n-1.472804 0.000000 9.729114\nHo N O Se Sm Y\n2 2 2 4 2 2\ndirect\n0.049002 0.049002 0.252520 Ho\n0.950998 0.950998 0.747480 Ho\n0.906876 0.906876 0.188012 N\n0.093124 0.093124 0.811988 N\n0.538820 0.538820 0.136431 O\n0.461180 0.461180 0.863569 O\n0.214577 0.214577 0.146400 Se\n0.626236 0.626236 0.463296 Se\n0.373764 0.373764 0.536704 Se\n0.785423 0.785423 0.853600 Se\n0.807255 0.807255 0.328588 Sm\n0.192745 0.192745 0.671412 Sm\n0.392828 0.392828 0.056150 Y\n0.607172 0.607172 0.943850 Y\n",
"nsites": 14,
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],
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"density": 6.632164680585233,
"density_atomic": 0.047216397526563134,
"volume": 296.5071613547781,
"volume_molar": 12.754341871617898,
"formula_full": "Sm2 Y2 Ho2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558047",
"created_at": "2022-09-04T15:55:39.186841Z",
"updated_at": "2022-09-04T15:55:39.186862Z",
"structure_string": "Tb2 Nd2 Dy2 Se4 N2 O2\n1.0\n7.805283 -1.985541 0.000000\n7.805283 1.985541 0.000000\n-0.861373 0.000000 9.627935\nDy N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.608023 0.608023 0.447442 Dy\n0.391977 0.391977 0.552558 Dy\n0.102787 0.102787 0.320458 N\n0.897213 0.897213 0.679542 N\n0.961221 0.961221 0.229267 Nd\n0.038779 0.038779 0.770733 Nd\n0.467251 0.467251 0.360029 O\n0.532749 0.532749 0.639971 O\n0.372454 0.372454 0.011561 Se\n0.789610 0.789610 0.350588 Se\n0.210390 0.210390 0.649412 Se\n0.627546 0.627546 0.988439 Se\n0.203082 0.203082 0.180227 Tb\n0.796918 0.796918 0.819773 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 298.42187775648773,
"volume_molar": 12.83670395509344,
"formula_full": "Tb2 Nd2 Dy2 Se4 N2 O2",
"formula_reduced": "TbNdDySe2NO",
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"formation_energy": -2.256446601079372,
"spacegroup": 12
},
{
"id": "oqmd-1558570",
"created_at": "2022-09-04T15:55:43.994435Z",
"updated_at": "2022-09-04T15:55:43.994452Z",
"structure_string": "Nd2 Dy2 Y2 Se4 N2 O2\n1.0\n7.776995 -1.980476 0.000000\n7.776995 1.980476 0.000000\n-0.794304 0.000000 9.595013\nDy N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.391263 0.391263 0.052186 Dy\n0.608737 0.608737 0.947814 Dy\n0.895897 0.895897 0.179522 N\n0.104103 0.104103 0.820478 N\n0.036891 0.036891 0.272526 Nd\n0.963109 0.963109 0.727474 Nd\n0.531937 0.531937 0.140987 O\n0.468063 0.468063 0.859013 O\n0.209311 0.209311 0.150160 Se\n0.627511 0.627511 0.489867 Se\n0.372489 0.372489 0.510133 Se\n0.790689 0.790689 0.849840 Se\n0.795044 0.795044 0.320115 Y\n0.204956 0.204956 0.679885 Y\n",
"nsites": 14,
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"elements": [
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],
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"volume": 295.5676963691585,
"volume_molar": 12.713930511742953,
"formula_full": "Nd2 Dy2 Y2 Se4 N2 O2",
"formula_reduced": "NdDyYSe2NO",
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"spacegroup": 12
}
]
}