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=-created_at&page=21",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-created_at&page=19",
"results": [
{
"id": "oqmd-1759333",
"created_at": "2022-09-04T16:03:17.248973Z",
"updated_at": "2022-09-04T16:03:17.248985Z",
"structure_string": "Pr4 Mn2 Ir2 O12\n1.0\n5.518339 0.000000 0.000000\n-0.000090 5.772536 0.000000\n-0.042251 -0.000473 7.861250\nIr Mn O Pr\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.801140 0.302048 0.051950 O\n0.690248 0.793776 0.054194 O\n0.396188 0.469569 0.246003 O\n0.103848 0.969546 0.253909 O\n0.809677 0.293886 0.445785 O\n0.698780 0.801974 0.448024 O\n0.301220 0.198026 0.551976 O\n0.190323 0.706114 0.554215 O\n0.896152 0.030454 0.746091 O\n0.603812 0.530431 0.753997 O\n0.309752 0.206224 0.945806 O\n0.198860 0.697952 0.948050 O\n0.981743 0.565510 0.249791 Pr\n0.518269 0.065449 0.250329 Pr\n0.481731 0.934551 0.749671 Pr\n0.018257 0.434490 0.750209 Pr\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ir",
"Mn",
"O",
"Pr"
],
"chemical_system": "Ir-Mn-O-Pr",
"density": 8.288374536155477,
"density_atomic": 0.07986626255702152,
"volume": 250.41862933952555,
"volume_molar": 7.540281174044444,
"formula_full": "Pr4 Mn2 Ir2 O12",
"formula_reduced": "Pr2MnIrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.537962802248439,
"spacegroup": 14
},
{
"id": "oqmd-1759390",
"created_at": "2022-09-04T16:03:17.247888Z",
"updated_at": "2022-09-04T16:03:17.247921Z",
"structure_string": "La4 Tb4 O12\n1.0\n6.090679 0.000000 0.000000\n0.000000 8.483347 0.000000\n0.000000 0.000000 5.874200\nLa O Tb\n4 12 4\ndirect\n0.949300 0.250000 0.015074 La\n0.449300 0.250000 0.484926 La\n0.550700 0.750000 0.515074 La\n0.050700 0.750000 0.984926 La\n0.436313 0.750000 0.134287 O\n0.190689 0.070414 0.188002 O\n0.190689 0.429586 0.188002 O\n0.690689 0.070414 0.311998 O\n0.690689 0.429586 0.311998 O\n0.936313 0.750000 0.365713 O\n0.063687 0.250000 0.634287 O\n0.309311 0.570414 0.688002 O\n0.309311 0.929586 0.688002 O\n0.809311 0.570414 0.811998 O\n0.809311 0.929586 0.811998 O\n0.563687 0.250000 0.865713 O\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.500000 Tb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"O",
"Tb"
],
"chemical_system": "La-O-Tb",
"density": 7.568134661450717,
"density_atomic": 0.06589437207675831,
"volume": 303.5160571331133,
"volume_molar": 9.139082094879052,
"formula_full": "La4 Tb4 O12",
"formula_reduced": "LaTbO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.5857030234605864,
"spacegroup": 62
},
{
"id": "oqmd-1759332",
"created_at": "2022-09-04T16:03:17.246078Z",
"updated_at": "2022-09-04T16:03:17.246094Z",
"structure_string": "Pr4 Fe2 Ir2 O12\n1.0\n5.470751 0.000000 0.000000\n0.000000 5.720978 0.000000\n-5.407020 0.000000 7.823377\nFe Ir O Pr\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.847216 0.300970 0.047794 O\n0.745728 0.791670 0.049657 O\n0.650872 0.474580 0.246172 O\n0.349128 0.974580 0.253828 O\n0.254272 0.291670 0.450343 O\n0.152784 0.800970 0.452206 O\n0.847216 0.199030 0.547794 O\n0.745728 0.708330 0.549657 O\n0.650872 0.025420 0.746172 O\n0.349128 0.525420 0.753828 O\n0.254272 0.208330 0.950343 O\n0.152784 0.699030 0.952206 O\n0.766517 0.061844 0.249867 Pr\n0.233483 0.561844 0.250133 Pr\n0.766517 0.438156 0.749867 Pr\n0.233483 0.938156 0.750133 Pr\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Fe",
"Ir",
"O",
"Pr"
],
"chemical_system": "Fe-Ir-O-Pr",
"density": 8.488956545047754,
"density_atomic": 0.08168052314303577,
"volume": 244.85641411694652,
"volume_molar": 7.372798959005515,
"formula_full": "Pr4 Fe2 Ir2 O12",
"formula_reduced": "Pr2FeIrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.4571595003686766,
"spacegroup": 14
},
{
"id": "oqmd-1741405",
"created_at": "2022-09-04T16:03:17.240414Z",
"updated_at": "2022-09-04T16:03:17.240444Z",
"structure_string": "Ca2 Ir2 O8\n1.0\n-2.608065 2.608065 5.576585\n2.608065 -2.608065 5.576585\n2.608065 2.608065 -5.576585\nCa Ir O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n0.160852 0.740313 0.071654 O\n0.490313 0.918658 0.079461 O\n0.259687 0.331342 0.420539 O\n0.589148 0.509687 0.428346 O\n0.081342 0.160802 0.571654 O\n0.910802 0.839148 0.579461 O\n0.839198 0.410852 0.920539 O\n0.668658 0.089198 0.928346 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O",
"density": 6.485370004538615,
"density_atomic": 0.07908900403488357,
"volume": 151.72779258551788,
"volume_molar": 7.614384367950607,
"formula_full": "Ca2 Ir2 O8",
"formula_reduced": "CaIrO4",
"formula_anonymous": "ABC4",
"formation_energy": -1.580363742252504,
"spacegroup": 88
},
{
"id": "oqmd-1759387",
"created_at": "2022-09-04T16:03:17.238825Z",
"updated_at": "2022-09-04T16:03:17.238848Z",
"structure_string": "Na4 Zn4 H12\n1.0\n5.146063 0.000000 0.000000\n0.000000 7.269882 0.000000\n0.000000 0.000000 5.106545\nH Na Zn\n12 4 4\ndirect\n0.496076 0.750000 0.043151 H\n0.220709 0.022237 0.230685 H\n0.220709 0.477763 0.230685 H\n0.720709 0.022237 0.269315 H\n0.720709 0.477763 0.269315 H\n0.996076 0.750000 0.456849 H\n0.003924 0.250000 0.543151 H\n0.279291 0.522237 0.730685 H\n0.279291 0.977763 0.730685 H\n0.779291 0.522237 0.769315 H\n0.779291 0.977763 0.769315 H\n0.503924 0.250000 0.956849 H\n0.987845 0.250000 0.001802 Na\n0.487845 0.250000 0.498198 Na\n0.512155 0.750000 0.501802 Na\n0.012155 0.750000 0.998198 Na\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"Na",
"Zn"
],
"chemical_system": "H-Na-Zn",
"density": 3.1785787984577247,
"density_atomic": 0.10468883619700024,
"volume": 191.04233771750611,
"volume_molar": 5.752419244271395,
"formula_full": "Na4 Zn4 H12",
"formula_reduced": "NaZnH3",
"formula_anonymous": "ABC3",
"formation_energy": -0.0316220679808346,
"spacegroup": 62
},
{
"id": "oqmd-1727974",
"created_at": "2022-09-04T16:03:17.237777Z",
"updated_at": "2022-09-04T16:03:17.237797Z",
"structure_string": "Eu2 Dy1 V1 O6\n1.0\n0.000000 4.010559 4.010559\n4.010559 0.000000 4.010559\n4.010559 4.010559 0.000000\nDy Eu O V\n1 2 6 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.731656 0.268344 0.268344 O\n0.268344 0.731656 0.268344 O\n0.731656 0.731656 0.268344 O\n0.268344 0.268344 0.731656 O\n0.731656 0.268344 0.731656 O\n0.268344 0.731656 0.731656 O\n0.500000 0.500000 0.500000 V\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Dy",
"Eu",
"O",
"V"
],
"chemical_system": "Dy-Eu-O-V",
"density": 7.894488573364565,
"density_atomic": 0.07750956066100577,
"volume": 129.0163421740422,
"volume_molar": 7.769545729124065,
"formula_full": "Eu2 Dy1 V1 O6",
"formula_reduced": "Eu2DyVO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.1941267057223803,
"spacegroup": 225
},
{
"id": "oqmd-1742799",
"created_at": "2022-09-04T16:03:17.233090Z",
"updated_at": "2022-09-04T16:03:17.233106Z",
"structure_string": "Ce1 Sb4 Te7\n1.0\n4.384279 0.000000 0.000000\n-2.192139 3.796897 0.000000\n0.000000 0.000000 25.080917\nCe Sb Te\n1 4 7\ndirect\n0.000000 0.000000 0.500025 Ce\n0.666667 0.333333 0.077587 Sb\n0.666667 0.333333 0.333938 Sb\n0.333333 0.666667 0.666100 Sb\n0.333333 0.666667 0.922345 Sb\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.144503 Te\n0.000000 0.000000 0.270558 Te\n0.333333 0.666667 0.419626 Te\n0.666667 0.333333 0.580422 Te\n0.000000 0.000000 0.729491 Te\n0.666667 0.333333 0.855451 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Te"
],
"chemical_system": "Ce-Sb-Te",
"density": 6.04677737648363,
"density_atomic": 0.028741593035961598,
"volume": 417.5133920025084,
"volume_molar": 20.95270346520137,
"formula_full": "Ce1 Sb4 Te7",
"formula_reduced": "CeSb4Te7",
"formula_anonymous": "AB4C7",
"formation_energy": -0.3360958367361088,
"spacegroup": 164
},
{
"id": "oqmd-1750031",
"created_at": "2022-09-04T16:03:17.231409Z",
"updated_at": "2022-09-04T16:03:17.231439Z",
"structure_string": "Ba4 Yb2 O6 F2\n1.0\n4.240540 0.000000 0.000000\n0.000000 4.240540 0.000000\n0.000000 0.000000 13.698398\nBa F O Yb\n4 2 6 2\ndirect\n0.500000 0.000000 0.119391 Ba\n0.500000 0.000000 0.394043 Ba\n0.000000 0.500000 0.605957 Ba\n0.000000 0.500000 0.880609 Ba\n0.000000 0.500000 0.075474 F\n0.500000 0.000000 0.924526 F\n0.000000 0.000000 0.239968 O\n0.500000 0.500000 0.239968 O\n0.000000 0.500000 0.420270 O\n0.500000 0.000000 0.579730 O\n0.000000 0.000000 0.760032 O\n0.500000 0.500000 0.760032 O\n0.000000 0.500000 0.255782 Yb\n0.500000 0.000000 0.744218 Yb\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"F",
"O",
"Yb"
],
"chemical_system": "Ba-F-O-Yb",
"density": 6.93926102173346,
"density_atomic": 0.056835008213709785,
"volume": 246.32705158337444,
"volume_molar": 10.59582984022044,
"formula_full": "Ba4 Yb2 O6 F2",
"formula_reduced": "Ba2YbO3F",
"formula_anonymous": "ABC2D3",
"formation_energy": -2.956676000252481,
"spacegroup": 129
},
{
"id": "oqmd-1759352",
"created_at": "2022-09-04T16:03:17.230687Z",
"updated_at": "2022-09-04T16:03:17.230707Z",
"structure_string": "Sr4 Dy2 Ru2 O12\n1.0\n5.772728 0.000000 0.000000\n0.000000 5.824861 0.000000\n-5.716418 0.000000 8.178306\nDy O Ru Sr\n2 12 2 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.268282 0.300974 0.039796 O\n0.346204 0.773296 0.042081 O\n0.811695 0.480147 0.234338 O\n0.188305 0.980147 0.265662 O\n0.653796 0.273296 0.457919 O\n0.731718 0.800974 0.460204 O\n0.268282 0.199026 0.539796 O\n0.346204 0.726704 0.542081 O\n0.811695 0.019853 0.734338 O\n0.188305 0.519853 0.765662 O\n0.653796 0.226704 0.957919 O\n0.731718 0.699026 0.960204 O\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.740980 0.037381 0.249232 Sr\n0.259020 0.537381 0.250768 Sr\n0.740980 0.462619 0.749232 Sr\n0.259020 0.962619 0.750768 Sr\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Dy",
"O",
"Ru",
"Sr"
],
"chemical_system": "Dy-O-Ru-Sr",
"density": 6.458708318337405,
"density_atomic": 0.07272772097389282,
"volume": 274.9983050779142,
"volume_molar": 8.28039250970311,
"formula_full": "Sr4 Dy2 Ru2 O12",
"formula_reduced": "Sr2DyRuO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.69324242569392,
"spacegroup": 14
},
{
"id": "oqmd-1707952",
"created_at": "2022-09-04T16:03:17.230475Z",
"updated_at": "2022-09-04T16:03:17.230492Z",
"structure_string": "Sr2 Cr1 Cu1 O6\n1.0\n-2.638912 2.638912 4.142793\n2.638912 -2.638912 4.142793\n2.638912 2.638912 -4.142793\nCr Cu O Sr\n1 1 6 2\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cu\n0.284009 0.284009 0.000000 O\n0.715991 0.715991 0.000000 O\n0.801464 0.295329 0.096793 O\n0.295329 0.198536 0.493865 O\n0.704671 0.801464 0.506135 O\n0.198536 0.704671 0.903207 O\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cr",
"Cu",
"O",
"Sr"
],
"chemical_system": "Cr-Cu-O-Sr",
"density": 5.565553747381017,
"density_atomic": 0.0866556648977556,
"volume": 115.39926456970734,
"volume_molar": 6.949506148392584,
"formula_full": "Sr2 Cr1 Cu1 O6",
"formula_reduced": "Sr2CrCuO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.052668553621878,
"spacegroup": 87
},
{
"id": "oqmd-1759346",
"created_at": "2022-09-04T16:03:17.230256Z",
"updated_at": "2022-09-04T16:03:17.230288Z",
"structure_string": "Sm4 Mg2 Ru2 O12\n1.0\n5.371659 0.000000 0.000000\n0.000000 5.689874 0.000000\n-5.319782 0.000000 7.707074\nMg O Ru Sm\n2 12 2 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.747324 0.802131 0.051818 O\n0.862677 0.297923 0.054017 O\n0.351928 0.968896 0.248157 O\n0.648072 0.468896 0.251843 O\n0.137323 0.797923 0.445983 O\n0.252676 0.302131 0.448182 O\n0.747324 0.697869 0.551818 O\n0.862677 0.202077 0.554017 O\n0.351928 0.531104 0.748157 O\n0.648072 0.031104 0.751843 O\n0.137323 0.702077 0.945983 O\n0.252676 0.197869 0.948182 O\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.768842 0.068408 0.249635 Sm\n0.231158 0.568408 0.250365 Sm\n0.768842 0.431592 0.749635 Sm\n0.231158 0.931592 0.750365 Sm\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"O",
"Ru",
"Sm"
],
"chemical_system": "Mg-O-Ru-Sm",
"density": 7.360800025281693,
"density_atomic": 0.08490424066318014,
"volume": 235.55949436425814,
"volume_molar": 7.092862162079945,
"formula_full": "Sm4 Mg2 Ru2 O12",
"formula_reduced": "Sm2MgRuO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.82201751044392,
"spacegroup": 14
},
{
"id": "oqmd-1739344",
"created_at": "2022-09-04T16:03:17.221897Z",
"updated_at": "2022-09-04T16:03:17.221922Z",
"structure_string": "Sm2 Rh2 O8\n1.0\n-3.641511 3.641511 3.332784\n3.641511 -3.641511 3.332784\n3.641511 3.641511 -3.332784\nO Rh Sm\n8 2 2\ndirect\n0.195194 0.376272 0.181077 O\n0.985883 0.804806 0.181077 O\n0.764117 0.445194 0.318923 O\n0.554806 0.873728 0.318923 O\n0.554806 0.235883 0.681077 O\n0.126272 0.445194 0.681077 O\n0.195194 0.014117 0.818923 O\n0.623728 0.804806 0.818923 O\n0.000000 0.000000 0.000000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 Sm\n0.250000 0.750000 0.500000 Sm\n",
"nsites": 12,
"nelements": 3,
"elements": [
"O",
"Rh",
"Sm"
],
"chemical_system": "O-Rh-Sm",
"density": 5.960301723547637,
"density_atomic": 0.06788140687715388,
"volume": 176.77889354468743,
"volume_molar": 8.871561502693027,
"formula_full": "Sm2 Rh2 O8",
"formula_reduced": "SmRhO4",
"formula_anonymous": "ABC4",
"formation_energy": -1.8637048110025027,
"spacegroup": 141
}
]
}