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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=45",
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"results": [
{
"id": "oqmd-1557898",
"created_at": "2022-09-04T15:55:40.592152Z",
"updated_at": "2022-09-04T15:55:40.592178Z",
"structure_string": "Tb2 Nd2 Tm2 S4 N2 O2\n1.0\n7.626124 -1.918338 0.000000\n7.626124 1.918338 0.000000\n-1.765857 0.000000 9.530330\nN Nd O S Tb Tm\n2 2 2 4 2 2\ndirect\n0.093058 0.093058 0.294797 N\n0.906942 0.906942 0.705203 N\n0.614219 0.614219 0.444639 Nd\n0.385781 0.385781 0.555361 Nd\n0.459041 0.459041 0.355259 O\n0.540959 0.540959 0.644741 O\n0.366663 0.366663 0.036298 S\n0.784570 0.784570 0.338190 S\n0.215430 0.215430 0.661810 S\n0.633337 0.633337 0.963702 S\n0.193921 0.193921 0.162835 Tb\n0.806079 0.806079 0.837165 Tb\n0.946809 0.946809 0.237340 Tm\n0.053191 0.053191 0.762660 Tm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"S",
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"Tm"
],
"chemical_system": "N-Nd-O-S-Tb-Tm",
"density": 6.743896815829653,
"density_atomic": 0.05020663432544171,
"volume": 278.8476102431276,
"volume_molar": 11.994711139098085,
"formula_full": "Tb2 Nd2 Tm2 S4 N2 O2",
"formula_reduced": "TbNdTmS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1557818",
"created_at": "2022-09-04T15:55:40.558040Z",
"updated_at": "2022-09-04T15:55:40.558057Z",
"structure_string": "Tb2 Sm2 Ho2 Se4 N2 O2\n1.0\n7.775633 -1.963321 0.000000\n7.775633 1.963321 0.000000\n-1.295097 0.000000 9.699622\nHo N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.393279 0.393279 0.054547 Ho\n0.606721 0.606721 0.945453 Ho\n0.903840 0.903840 0.183642 N\n0.096160 0.096160 0.816358 N\n0.536404 0.536404 0.136301 O\n0.463596 0.463596 0.863699 O\n0.212294 0.212294 0.143800 Se\n0.625528 0.625528 0.470248 Se\n0.374472 0.374472 0.529752 Se\n0.787706 0.787706 0.856200 Se\n0.803264 0.803264 0.325278 Sm\n0.196736 0.196736 0.674722 Sm\n0.045684 0.045684 0.256582 Tb\n0.954316 0.954316 0.743418 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Ho",
"N",
"O",
"Se",
"Sm",
"Tb"
],
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"density": 7.425371842950814,
"density_atomic": 0.04727332654807516,
"volume": 296.15009186549497,
"volume_molar": 12.738982423578156,
"formula_full": "Tb2 Sm2 Ho2 Se4 N2 O2",
"formula_reduced": "TbSmHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2665140323888946,
"spacegroup": 12
},
{
"id": "oqmd-1499863",
"created_at": "2022-09-04T15:53:25.056910Z",
"updated_at": "2022-09-04T15:53:25.056940Z",
"structure_string": "Sm2 Y2 C1 I1 Br2 Cl2\n1.0\n8.670590 -1.950298 0.000000\n8.670590 1.950298 0.000000\n-2.173766 0.000000 8.438055\nBr C Cl I Sm Y\n2 1 2 1 2 2\ndirect\n0.174496 0.174496 0.320788 Br\n0.825504 0.825504 0.679212 Br\n0.500000 0.500000 0.000000 C\n0.827806 0.827806 0.132637 Cl\n0.172194 0.172194 0.867363 Cl\n0.500000 0.500000 0.500000 I\n0.999153 0.999153 0.194169 Sm\n0.000847 0.000847 0.805831 Sm\n0.642896 0.642896 0.072405 Y\n0.357104 0.357104 0.927595 Y\n",
"nsites": 10,
"nelements": 6,
"elements": [
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"C",
"Cl",
"I",
"Sm",
"Y"
],
"chemical_system": "Br-C-Cl-I-Sm-Y",
"density": 4.9352068087588545,
"density_atomic": 0.035041123852279345,
"volume": 285.3789747770753,
"volume_molar": 17.185923560520372,
"formula_full": "Sm2 Y2 C1 I1 Br2 Cl2",
"formula_reduced": "Sm2Y2CI(BrCl)2",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.6501648040998227,
"spacegroup": 12
},
{
"id": "oqmd-1557960",
"created_at": "2022-09-04T15:55:40.558771Z",
"updated_at": "2022-09-04T15:55:40.558790Z",
"structure_string": "Tb2 Nd2 Ho2 S4 N2 O2\n1.0\n7.634576 -1.941524 0.000000\n7.634576 1.941524 0.000000\n-1.310871 0.000000 9.430049\nHo N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.795637 0.795637 0.321368 Ho\n0.204363 0.204363 0.678632 Ho\n0.897810 0.897810 0.189670 N\n0.102190 0.102190 0.810330 N\n0.046874 0.046874 0.277328 Nd\n0.953126 0.953126 0.722672 Nd\n0.535896 0.535896 0.141261 O\n0.464104 0.464104 0.858739 O\n0.212340 0.212340 0.152054 S\n0.636128 0.636128 0.486508 S\n0.363872 0.363872 0.513492 S\n0.787660 0.787660 0.847946 S\n0.388270 0.388270 0.052821 Tb\n0.611730 0.611730 0.947179 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Tb",
"density": 6.67919909847114,
"density_atomic": 0.050079087217174786,
"volume": 279.55781101374896,
"volume_molar": 12.025260632016247,
"formula_full": "Tb2 Nd2 Ho2 S4 N2 O2",
"formula_reduced": "TbNdHoS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.429226598892709,
"spacegroup": 12
},
{
"id": "oqmd-1557693",
"created_at": "2022-09-04T15:55:40.550172Z",
"updated_at": "2022-09-04T15:55:40.550197Z",
"structure_string": "Dy2 Ho2 Er2 S4 N2 O2\n1.0\n7.513668 -1.898317 0.000000\n7.513668 1.898317 0.000000\n-1.531136 0.000000 9.322296\nDy Er Ho N O S\n2 2 2 2 2 4\ndirect\n0.052717 0.052717 0.263956 Dy\n0.947283 0.947283 0.736044 Dy\n0.389637 0.389637 0.056329 Er\n0.610363 0.610363 0.943671 Er\n0.802004 0.802004 0.327291 Ho\n0.197996 0.197996 0.672709 Ho\n0.904569 0.904569 0.193230 N\n0.095431 0.095431 0.806770 N\n0.540165 0.540165 0.138001 O\n0.459835 0.459835 0.861999 O\n0.215420 0.215420 0.150417 S\n0.635242 0.635242 0.471765 S\n0.364758 0.364758 0.528235 S\n0.784580 0.784580 0.849583 S\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Er",
"Ho",
"N",
"O",
"S"
],
"chemical_system": "Dy-Er-Ho-N-O-S",
"density": 7.353464856354727,
"density_atomic": 0.05264467066960079,
"volume": 265.93385088994734,
"volume_molar": 11.439222020772245,
"formula_full": "Dy2 Ho2 Er2 S4 N2 O2",
"formula_reduced": "DyHoErS2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557909",
"created_at": "2022-09-04T15:55:40.688738Z",
"updated_at": "2022-09-04T15:55:40.688769Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.716610 -1.924634 0.000000\n7.716610 1.924634 0.000000\n-1.463880 0.000000 9.454479\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.393767 0.393767 0.058903 Ho\n0.606233 0.606233 0.941097 Ho\n0.906453 0.906453 0.195106 N\n0.093547 0.093547 0.804894 N\n0.539153 0.539153 0.138766 O\n0.460847 0.460847 0.861234 O\n0.632890 0.632890 0.470289 S\n0.367110 0.367110 0.529711 S\n0.214822 0.214822 0.148177 Se\n0.785178 0.785178 0.851823 Se\n0.051427 0.051427 0.265429 Tb\n0.806824 0.806824 0.332695 Tb\n0.193176 0.193176 0.667305 Tb\n0.948573 0.948573 0.734571 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.377183721054073,
"density_atomic": 0.04985236124803846,
"volume": 280.8292255274239,
"volume_molar": 12.079950897485228,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.272165583986041,
"spacegroup": 12
},
{
"id": "oqmd-1558391",
"created_at": "2022-09-04T15:55:40.486278Z",
"updated_at": "2022-09-04T15:55:40.486293Z",
"structure_string": "Gd4 Dy2 Se2 S2 N2 O2\n1.0\n7.781037 -1.936359 0.000000\n7.781037 1.936359 0.000000\n-1.428215 0.000000 9.500950\nDy Gd N O S Se\n2 4 2 2 2 2\ndirect\n0.194252 0.194252 0.165785 Dy\n0.805748 0.805748 0.834215 Dy\n0.950131 0.950131 0.231492 Gd\n0.608071 0.608071 0.441438 Gd\n0.391929 0.391929 0.558562 Gd\n0.049869 0.049869 0.768508 Gd\n0.095088 0.095088 0.301168 N\n0.904912 0.904912 0.698832 N\n0.461845 0.461845 0.358758 O\n0.538155 0.538155 0.641242 O\n0.365661 0.365661 0.027691 S\n0.634339 0.634339 0.972309 S\n0.785440 0.785440 0.347581 Se\n0.214560 0.214560 0.652419 Se\n",
"nsites": 14,
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"elements": [
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"N",
"O",
"S",
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],
"chemical_system": "Dy-Gd-N-O-S-Se",
"density": 7.16917259261314,
"density_atomic": 0.04889986369659921,
"volume": 286.29936653532314,
"volume_molar": 12.315250605532496,
"formula_full": "Gd4 Dy2 Se2 S2 N2 O2",
"formula_reduced": "Gd2DySeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1499671",
"created_at": "2022-09-04T15:53:25.089807Z",
"updated_at": "2022-09-04T15:53:25.089824Z",
"structure_string": "Pr2 Ho2 C1 I2 Br2 Cl1\n1.0\n9.370546 -1.934716 0.000000\n9.370546 1.934716 0.000000\n-1.765954 0.000000 8.042176\nBr C Cl Ho I Pr\n2 1 1 2 2 2\ndirect\n0.151515 0.151515 0.353218 Br\n0.848485 0.848485 0.646782 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.999037 0.999037 0.201494 Ho\n0.000963 0.000963 0.798506 Ho\n0.832238 0.832238 0.209561 I\n0.167762 0.167762 0.790439 I\n0.639310 0.639310 0.075008 Pr\n0.360690 0.360690 0.924992 Pr\n",
"nsites": 10,
"nelements": 6,
"elements": [
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"C",
"Cl",
"Ho",
"I",
"Pr"
],
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"density": 6.108922216479483,
"density_atomic": 0.03429369735699413,
"volume": 291.59877093160736,
"volume_molar": 17.560488439931362,
"formula_full": "Pr2 Ho2 C1 I2 Br2 Cl1",
"formula_reduced": "Pr2Ho2CI2Br2Cl",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.4640501464474092,
"spacegroup": 12
},
{
"id": "oqmd-1558373",
"created_at": "2022-09-04T15:55:40.421512Z",
"updated_at": "2022-09-04T15:55:40.421533Z",
"structure_string": "Sm2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.804511 -1.970766 0.000000\n7.804511 1.970766 0.000000\n-1.266912 0.000000 9.722431\nDy Gd N O Se Sm\n2 2 2 2 4 2\ndirect\n0.607116 0.607116 0.445622 Dy\n0.392884 0.392884 0.554378 Dy\n0.954270 0.954270 0.241964 Gd\n0.045730 0.045730 0.758036 Gd\n0.096575 0.096575 0.315937 N\n0.903425 0.903425 0.684063 N\n0.463739 0.463739 0.363143 O\n0.536261 0.536261 0.636857 O\n0.373734 0.373734 0.028565 Se\n0.787624 0.787624 0.355110 Se\n0.212376 0.212376 0.644890 Se\n0.626266 0.626266 0.971435 Se\n0.196980 0.196980 0.174729 Sm\n0.803020 0.803020 0.825271 Sm\n",
"nsites": 14,
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"elements": [
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"Sm"
],
"chemical_system": "Dy-Gd-N-O-Se-Sm",
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"density_atomic": 0.04681040645874872,
"volume": 299.0787959155489,
"volume_molar": 12.864961480962492,
"formula_full": "Sm2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "SmGdDySe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557892",
"created_at": "2022-09-04T15:55:40.410261Z",
"updated_at": "2022-09-04T15:55:40.410288Z",
"structure_string": "Tb2 Dy4 Se2 S2 N2 O2\n1.0\n7.575736 -1.936087 0.000000\n7.575736 1.936087 0.000000\n-1.481820 0.000000 9.555599\nDy N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.950846 0.950846 0.242819 Dy\n0.611405 0.611405 0.447214 Dy\n0.388595 0.388595 0.552786 Dy\n0.049154 0.049154 0.757181 Dy\n0.097353 0.097353 0.314480 N\n0.902647 0.902647 0.685520 N\n0.461153 0.461153 0.362228 O\n0.538847 0.538847 0.637772 O\n0.785981 0.785981 0.351006 S\n0.214019 0.214019 0.648994 S\n0.370949 0.370949 0.027077 Se\n0.629051 0.629051 0.972923 Se\n0.199436 0.199436 0.180020 Tb\n0.800564 0.800564 0.819980 Tb\n",
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"elements": [
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],
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"formula_full": "Tb2 Dy4 Se2 S2 N2 O2",
"formula_reduced": "TbDy2SeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558351",
"created_at": "2022-09-04T15:55:40.404321Z",
"updated_at": "2022-09-04T15:55:40.404347Z",
"structure_string": "Sm2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.786738 -1.955169 0.000000\n7.786738 1.955169 0.000000\n-1.313588 0.000000 9.651345\nDy Ho N O Se Sm\n2 2 2 2 4 2\ndirect\n0.955265 0.955265 0.237213 Dy\n0.044735 0.044735 0.762787 Dy\n0.195875 0.195875 0.171353 Ho\n0.804125 0.804125 0.828647 Ho\n0.096888 0.096888 0.305099 N\n0.903112 0.903112 0.694901 N\n0.463431 0.463431 0.356738 O\n0.536569 0.536569 0.643262 O\n0.370302 0.370302 0.027318 Se\n0.787210 0.787210 0.343823 Se\n0.212790 0.212790 0.656177 Se\n0.629698 0.629698 0.972682 Se\n0.610209 0.610209 0.444872 Sm\n0.389791 0.389791 0.555128 Sm\n",
"nsites": 14,
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"elements": [
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"Sm"
],
"chemical_system": "Dy-Ho-N-O-Se-Sm",
"density": 7.523339515067174,
"density_atomic": 0.04763984444376956,
"volume": 293.87165645606865,
"volume_molar": 12.640974861091488,
"formula_full": "Sm2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "SmDyHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3597927883888943,
"spacegroup": 12
},
{
"id": "oqmd-1557855",
"created_at": "2022-09-04T15:55:40.460800Z",
"updated_at": "2022-09-04T15:55:40.460828Z",
"structure_string": "Tb2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.732493 -1.946539 0.000000\n7.732493 1.946539 0.000000\n-1.233808 0.000000 9.588561\nDy Ho N O Se Tb\n2 2 2 2 4 2\ndirect\n0.955248 0.955248 0.240946 Dy\n0.044752 0.044752 0.759054 Dy\n0.607377 0.607377 0.444613 Ho\n0.392623 0.392623 0.555387 Ho\n0.096983 0.096983 0.313503 N\n0.903017 0.903017 0.686497 N\n0.463852 0.463852 0.361757 O\n0.536148 0.536148 0.638243 O\n0.372525 0.372525 0.027827 Se\n0.787749 0.787749 0.351891 Se\n0.212251 0.212251 0.648109 Se\n0.627475 0.627475 0.972173 Se\n0.197079 0.197079 0.174884 Tb\n0.802921 0.802921 0.825116 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 288.6463539948501,
"volume_molar": 12.416206954412681,
"formula_full": "Tb2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "TbDyHoSe2NO",
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"spacegroup": 12
}
]
}