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=40",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=created_at&page=38",
"results": [
{
"id": "oqmd-6068",
"created_at": "2022-09-04T14:48:48.540266Z",
"updated_at": "2022-09-04T14:48:48.540290Z",
"structure_string": "Th4 S8\n1.0\n4.287531 0.000000 0.000000\n0.000000 7.272451 0.000000\n0.000000 0.000000 8.647832\nS Th\n8 4\ndirect\n0.750000 0.139058 0.070182 S\n0.249999 0.471786 0.165015 S\n0.249999 0.971787 0.334986 S\n0.750000 0.639057 0.429818 S\n0.249999 0.360943 0.570182 S\n0.750000 0.028213 0.665014 S\n0.750000 0.528214 0.834985 S\n0.249999 0.860942 0.929818 S\n0.750000 0.750143 0.118610 Th\n0.750000 0.250143 0.381389 Th\n0.249999 0.749857 0.618611 Th\n0.249999 0.249857 0.881390 Th\n",
"nsites": 12,
"nelements": 2,
"elements": [
"S",
"Th"
],
"chemical_system": "S-Th",
"density": 7.29544837217441,
"density_atomic": 0.04450265537046422,
"volume": 269.6468311858135,
"volume_molar": 13.532093107407722,
"formula_full": "Th4 S8",
"formula_reduced": "ThS2",
"formula_anonymous": "AB2",
"formation_energy": -2.18237918517557,
"spacegroup": 62
},
{
"id": "oqmd-17610",
"created_at": "2022-09-04T14:48:48.540271Z",
"updated_at": "2022-09-04T14:48:48.540294Z",
"structure_string": "Li1 Tl1\n1.0\n3.453126 0.000000 0.000000\n0.000000 3.453126 0.000000\n0.000000 0.000000 3.453126\nLi Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Tl"
],
"chemical_system": "Li-Tl",
"density": 8.52238716848519,
"density_atomic": 0.04857275302231858,
"volume": 41.175347814463485,
"volume_molar": 12.398187019032873,
"formula_full": "Li1 Tl1",
"formula_reduced": "LiTl",
"formula_anonymous": "AB",
"formation_energy": -0.2332024625,
"spacegroup": 221
},
{
"id": "oqmd-20372",
"created_at": "2022-09-04T14:48:48.540920Z",
"updated_at": "2022-09-04T14:48:48.540936Z",
"structure_string": "Y3 Mg3 In3\n1.0\n7.956041 -0.002738 0.000000\n-3.980392 6.888766 0.000000\n0.000000 0.000000 4.958725\nIn Mg Y\n3 3 3\ndirect\n0.000000 0.000000 0.000000 In\n0.666704 0.333380 0.499999 In\n0.333381 0.666703 0.499999 In\n0.241326 0.000000 0.499999 Mg\n0.000000 0.241328 0.499999 Mg\n0.758728 0.758728 0.499999 Mg\n0.432744 0.432744 0.000000 Y\n0.000000 0.567286 0.000000 Y\n0.567288 0.000000 0.000000 Y\n",
"nsites": 9,
"nelements": 3,
"elements": [
"In",
"Mg",
"Y"
],
"chemical_system": "In-Mg-Y",
"density": 4.180594521587508,
"density_atomic": 0.033122293970502203,
"volume": 271.7203104354774,
"volume_molar": 18.181532853259352,
"formula_full": "Y3 Mg3 In3",
"formula_reduced": "YMgIn",
"formula_anonymous": "ABC",
"formation_energy": -0.325612358055557,
"spacegroup": 189
},
{
"id": "oqmd-31010",
"created_at": "2022-09-04T14:48:48.548395Z",
"updated_at": "2022-09-04T14:48:48.548431Z",
"structure_string": "Th1 Si2 Rh2\n1.0\n-4.125664 0.000000 0.000000\n0.000000 -4.125664 0.000000\n2.062832 2.062832 5.073986\nRh Si Th\n2 2 1\ndirect\n0.749999 0.250000 0.499999 Rh\n0.250000 0.749999 0.499999 Rh\n0.620917 0.620917 0.241836 Si\n0.379083 0.379083 0.758165 Si\n0.000000 0.000000 0.000000 Th\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rh",
"Si",
"Th"
],
"chemical_system": "Rh-Si-Th",
"density": 9.498536718879448,
"density_atomic": 0.05789392960570083,
"volume": 86.36484056365813,
"volume_molar": 10.40202453178614,
"formula_full": "Th1 Si2 Rh2",
"formula_reduced": "Th(SiRh)2",
"formula_anonymous": "AB2C2",
"formation_energy": -1.101617362,
"spacegroup": 139
},
{
"id": "oqmd-10683",
"created_at": "2022-09-04T14:48:48.552932Z",
"updated_at": "2022-09-04T14:48:48.552963Z",
"structure_string": "Yb1 Ag1\n1.0\n3.639014 0.000000 0.000000\n0.000000 3.639014 0.000000\n0.000000 0.000000 3.639014\nAg Yb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500001 0.500001 0.500001 Yb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Yb"
],
"chemical_system": "Ag-Yb",
"density": 9.679709752905927,
"density_atomic": 0.04150293559824098,
"volume": 48.18936229862174,
"volume_molar": 14.510156144846864,
"formula_full": "Yb1 Ag1",
"formula_reduced": "YbAg",
"formula_anonymous": "AB",
"formation_energy": -0.42926611875,
"spacegroup": 221
},
{
"id": "oqmd-6127",
"created_at": "2022-09-04T14:48:48.554177Z",
"updated_at": "2022-09-04T14:48:48.554204Z",
"structure_string": "Hg2 S2 O8\n1.0\n6.624028 0.000000 0.000000\n0.000000 4.783328 0.000000\n0.000000 0.000000 4.796089\nHg O S\n2 8 2\ndirect\n0.000000 0.194020 0.260752 Hg\n0.499999 0.805979 0.760753 Hg\n0.000000 0.723298 0.060929 O\n0.322710 0.177951 0.117688 O\n0.677290 0.177951 0.117688 O\n0.499999 0.621546 0.204127 O\n0.499999 0.276703 0.560928 O\n0.177291 0.822049 0.617689 O\n0.822709 0.822049 0.617689 O\n0.000000 0.378454 0.704128 O\n0.499999 0.314649 0.254814 S\n0.000000 0.685351 0.754815 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"O",
"S"
],
"chemical_system": "Hg-O-S",
"density": 6.483174286990505,
"density_atomic": 0.07896628205792583,
"volume": 151.96359366643833,
"volume_molar": 7.626217928789468,
"formula_full": "Hg2 S2 O8",
"formula_reduced": "HgSO4",
"formula_anonymous": "ABC4",
"formation_energy": -1.31653443208244,
"spacegroup": 31
},
{
"id": "oqmd-15461",
"created_at": "2022-09-04T14:48:48.558694Z",
"updated_at": "2022-09-04T14:48:48.558721Z",
"structure_string": "Ba1 Be1 Si1 O4\n1.0\n2.836877 0.000000 4.110735\n-4.389441 2.614285 0.034960\n-4.389441 -2.614285 0.034960\nBa Be O Si\n1 1 4 1\ndirect\n0.962135 0.979251 0.979251 Ba\n0.736678 0.252740 0.252740 Be\n0.113471 0.321094 0.321094 O\n0.551396 0.879759 0.376160 O\n0.737974 0.438423 0.438423 O\n0.551396 0.376160 0.879759 O\n0.486249 0.501573 0.501573 Si\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Be",
"O",
"Si"
],
"chemical_system": "Ba-Be-O-Si",
"density": 4.173532191713535,
"density_atomic": 0.07379142035685697,
"volume": 94.86197671962191,
"volume_molar": 8.161031093962945,
"formula_full": "Ba1 Be1 Si1 O4",
"formula_reduced": "BaBeSiO4",
"formula_anonymous": "ABCD4",
"formation_energy": -3.16599254835929,
"spacegroup": 8
},
{
"id": "oqmd-67294",
"created_at": "2022-09-04T14:48:48.559234Z",
"updated_at": "2022-09-04T14:48:48.559264Z",
"structure_string": "Mg3 Te1\n1.0\n4.120739 0.000000 0.000000\n0.000000 5.009358 0.000000\n0.000000 0.000000 4.799150\nMg Te\n3 1\ndirect\n0.000000 0.054766 0.000000 Mg\n0.500000 0.534526 0.000000 Mg\n0.500000 0.105954 0.500001 Mg\n0.000000 0.638088 0.500001 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 3.3610460408375276,
"density_atomic": 0.04037741289331781,
"volume": 99.06528708435337,
"volume_molar": 14.91462758129465,
"formula_full": "Mg3 Te1",
"formula_reduced": "Mg3Te",
"formula_anonymous": "AB3",
"formation_energy": -0.145960312708335,
"spacegroup": 25
},
{
"id": "oqmd-25980",
"created_at": "2022-09-04T14:48:48.567181Z",
"updated_at": "2022-09-04T14:48:48.567208Z",
"structure_string": "Gd3 In3 Ir3\n1.0\n7.543741 -0.000040 0.000000\n-3.771905 6.533051 0.000000\n0.000000 0.000000 3.984224\nGd In Ir\n3 3 3\ndirect\n0.593312 0.000000 0.000000 Gd\n0.406693 0.406693 0.000000 Gd\n0.000000 0.593312 0.000000 Gd\n0.255749 0.000000 0.499999 In\n0.000000 0.255749 0.499999 In\n0.744266 0.744266 0.499999 In\n0.000000 0.000000 0.000000 Ir\n0.666689 0.333372 0.499999 Ir\n0.333373 0.666689 0.499999 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Gd",
"In",
"Ir"
],
"chemical_system": "Gd-In-Ir",
"density": 11.779036553142552,
"density_atomic": 0.04583500403721203,
"volume": 196.35647883205544,
"volume_molar": 13.138737274051094,
"formula_full": "Gd3 In3 Ir3",
"formula_reduced": "GdInIr",
"formula_anonymous": "ABC",
"formation_energy": -0.698159499166666,
"spacegroup": 189
},
{
"id": "oqmd-11886",
"created_at": "2022-09-04T14:48:48.567618Z",
"updated_at": "2022-09-04T14:48:48.567628Z",
"structure_string": "Sc2 B2 O6\n1.0\n-2.378831 4.120257 0.000000\n-4.757662 0.000000 0.000000\n0.000000 -2.746838 5.084981\nB O Sc\n2 6 2\ndirect\n0.500001 0.249999 0.250001 B\n0.500001 0.749999 0.750001 B\n0.790344 0.250000 0.250001 O\n0.209657 0.540343 0.250001 O\n0.500001 0.959655 0.250001 O\n0.500001 0.040344 0.750001 O\n0.790344 0.459655 0.750001 O\n0.209657 0.749999 0.750001 O\n0.000000 0.000000 0.000000 Sc\n0.000000 0.499999 0.500000 Sc\n",
"nsites": 10,
"nelements": 3,
"elements": [
"B",
"O",
"Sc"
],
"chemical_system": "B-O-Sc",
"density": 3.457189830280854,
"density_atomic": 0.10032121296793209,
"volume": 99.67981550618336,
"volume_molar": 6.002858799090668,
"formula_full": "Sc2 B2 O6",
"formula_reduced": "ScBO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.27310291852725,
"spacegroup": 167
},
{
"id": "oqmd-18891",
"created_at": "2022-09-04T14:48:48.569929Z",
"updated_at": "2022-09-04T14:48:48.569957Z",
"structure_string": "Pr1 Tl1\n1.0\n3.913787 0.000000 0.000000\n0.000000 3.913787 0.000000\n0.000000 0.000000 3.913787\nPr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.499999 0.499999 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Tl"
],
"chemical_system": "Pr-Tl",
"density": 9.564069736576297,
"density_atomic": 0.033360952096788285,
"volume": 59.95032738266914,
"volume_molar": 18.051465505325798,
"formula_full": "Pr1 Tl1",
"formula_reduced": "PrTl",
"formula_anonymous": "AB",
"formation_energy": -0.39904937625,
"spacegroup": 221
},
{
"id": "oqmd-20061",
"created_at": "2022-09-04T14:48:48.573924Z",
"updated_at": "2022-09-04T14:48:48.573951Z",
"structure_string": "Ce3 In3 Ru2\n1.0\n0.000000 4.744283 0.000000\n-0.728739 0.000000 5.238024\n8.477413 -2.372142 -0.101330\nCe In Ru\n3 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.166618 0.572830 0.333235 Ce\n0.833382 0.427169 0.666765 Ce\n0.634069 0.064274 0.268139 In\n0.365930 0.935727 0.731860 In\n0.500000 0.500000 0.000000 In\n0.215810 0.089176 0.431621 Ru\n0.784190 0.910823 0.568381 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ru"
],
"chemical_system": "Ce-In-Ru",
"density": 7.634329859024873,
"density_atomic": 0.03803744922463329,
"volume": 210.31904512722028,
"volume_molar": 15.832136178311407,
"formula_full": "Ce3 In3 Ru2",
"formula_reduced": "Ce3In3Ru2",
"formula_anonymous": "A2B3C3",
"formation_energy": -0.3362661403125,
"spacegroup": 12
}
]
}