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=6",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-created_at&page=4",
"results": [
{
"id": "oqmd-1759385",
"created_at": "2022-09-04T16:03:17.715322Z",
"updated_at": "2022-09-04T16:03:17.715350Z",
"structure_string": "Na4 Ni4 H12\n1.0\n4.755394 0.000000 0.000000\n0.000000 6.722912 0.000000\n0.000000 0.000000 4.754780\nH Na Ni\n12 4 4\ndirect\n0.999727 0.250000 0.000000 H\n0.000273 0.750000 0.000000 H\n0.749735 0.000000 0.249767 H\n0.749735 0.499977 0.249767 H\n0.249735 0.000000 0.250233 H\n0.249735 0.499977 0.250233 H\n0.500273 0.750000 0.499984 H\n0.499727 0.250000 0.500016 H\n0.750265 0.000000 0.749767 H\n0.750265 0.500023 0.749767 H\n0.250265 0.000000 0.750233 H\n0.250265 0.500023 0.750233 H\n0.499767 0.250000 0.000000 Na\n0.500233 0.750000 0.000000 Na\n0.000233 0.750000 0.499980 Na\n0.999767 0.250000 0.500020 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"Na",
"Ni"
],
"chemical_system": "H-Na-Ni",
"density": 3.701297343040434,
"density_atomic": 0.13156962484186144,
"volume": 152.01077014575944,
"volume_molar": 4.577151274268846,
"formula_full": "Na4 Ni4 H12",
"formula_reduced": "NaNiH3",
"formula_anonymous": "ABC3",
"formation_energy": -0.1794001619808348,
"spacegroup": 221
},
{
"id": "oqmd-1759398",
"created_at": "2022-09-04T16:03:17.714890Z",
"updated_at": "2022-09-04T16:03:17.714918Z",
"structure_string": "La4 Dy4 O12\n1.0\n6.062238 0.000000 0.000000\n0.000000 8.469353 0.000000\n0.000000 0.000000 5.865652\nDy La O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.450245 0.250000 0.016598 La\n0.950245 0.250000 0.483402 La\n0.049755 0.750000 0.516598 La\n0.549755 0.750000 0.983402 La\n0.939386 0.750000 0.132234 O\n0.694641 0.070533 0.192187 O\n0.694641 0.429467 0.192187 O\n0.194641 0.070533 0.307813 O\n0.194641 0.429467 0.307813 O\n0.439386 0.750000 0.367766 O\n0.560614 0.250000 0.632234 O\n0.805359 0.570533 0.692187 O\n0.805359 0.929467 0.692187 O\n0.305359 0.570533 0.807813 O\n0.305359 0.929467 0.807813 O\n0.060614 0.250000 0.867766 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"La",
"O"
],
"chemical_system": "Dy-La-O",
"density": 7.706142590407249,
"density_atomic": 0.06640954202355819,
"volume": 301.1615408054641,
"volume_molar": 9.068185951144944,
"formula_full": "La4 Dy4 O12",
"formula_reduced": "LaDyO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.738755261860587,
"spacegroup": 62
},
{
"id": "oqmd-1759393",
"created_at": "2022-09-04T16:03:17.709837Z",
"updated_at": "2022-09-04T16:03:17.709864Z",
"structure_string": "Pr4 Y4 O12\n1.0\n6.075864 0.000000 0.000000\n0.000000 8.477516 0.000000\n0.000000 0.000000 5.826828\nO Pr Y\n12 4 4\ndirect\n0.434941 0.250000 0.136499 O\n0.191835 0.571475 0.188870 O\n0.191835 0.928525 0.188870 O\n0.691835 0.571475 0.311130 O\n0.691835 0.928525 0.311130 O\n0.934941 0.250000 0.363501 O\n0.065059 0.750000 0.636499 O\n0.308165 0.071475 0.688870 O\n0.308165 0.428525 0.688870 O\n0.808165 0.071475 0.811130 O\n0.808165 0.428525 0.811130 O\n0.565059 0.750000 0.863501 O\n0.945109 0.750000 0.017944 Pr\n0.445109 0.750000 0.482056 Pr\n0.554891 0.250000 0.517944 Pr\n0.054891 0.250000 0.982056 Pr\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n",
"nsites": 20,
"nelements": 3,
"elements": [
"O",
"Pr",
"Y"
],
"chemical_system": "O-Pr-Y",
"density": 6.148239262752438,
"density_atomic": 0.06663787428544056,
"volume": 300.12962169727734,
"volume_molar": 9.037114140532772,
"formula_full": "Pr4 Y4 O12",
"formula_reduced": "PrYO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.6470779910272535,
"spacegroup": 62
},
{
"id": "oqmd-1759416",
"created_at": "2022-09-04T16:03:17.707027Z",
"updated_at": "2022-09-04T16:03:17.707055Z",
"structure_string": "Nd6 Re2 O12\n1.0\n5.655678 0.000000 0.000000\n0.000000 6.182149 0.000000\n-5.048579 0.000000 7.958374\nNd O Re\n6 12 2\ndirect\n0.000000 0.500000 0.000000 Nd\n0.282935 0.068829 0.248390 Nd\n0.717065 0.568829 0.251610 Nd\n0.000000 0.000000 0.500000 Nd\n0.282935 0.431171 0.748390 Nd\n0.717065 0.931171 0.751610 Nd\n0.258732 0.808867 0.055674 O\n0.398627 0.299798 0.064902 O\n0.874545 0.927284 0.222528 O\n0.125455 0.427284 0.277472 O\n0.601373 0.799798 0.435098 O\n0.741268 0.308867 0.444326 O\n0.258732 0.691133 0.555674 O\n0.398627 0.200202 0.564902 O\n0.874545 0.572716 0.722528 O\n0.125455 0.072716 0.777472 O\n0.601373 0.700202 0.935098 O\n0.741268 0.191133 0.944326 O\n0.500000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"O",
"Re"
],
"chemical_system": "Nd-O-Re",
"density": 8.532843135614476,
"density_atomic": 0.07187560402947206,
"volume": 278.2585311116015,
"volume_molar": 8.378560210124517,
"formula_full": "Nd6 Re2 O12",
"formula_reduced": "Nd3ReO6",
"formula_anonymous": "AB3C6",
"formation_energy": -2.843666083027253,
"spacegroup": 14
},
{
"id": "oqmd-1759321",
"created_at": "2022-09-04T16:03:17.706352Z",
"updated_at": "2022-09-04T16:03:17.706380Z",
"structure_string": "Gd4 Cr2 Ir2 O12\n1.0\n5.288867 0.000000 0.000000\n0.000000 5.730625 0.000000\n-5.107938 0.000000 7.621752\nCr Gd Ir O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.776116 0.077253 0.249862 Gd\n0.223884 0.577253 0.250138 Gd\n0.776116 0.422747 0.749862 Gd\n0.223884 0.922747 0.750138 Gd\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.867489 0.312220 0.055362 O\n0.739045 0.798107 0.058827 O\n0.624654 0.456444 0.246907 O\n0.375346 0.956444 0.253093 O\n0.260955 0.298107 0.441173 O\n0.132511 0.812220 0.444638 O\n0.867489 0.187780 0.555362 O\n0.739045 0.701893 0.558827 O\n0.624654 0.043556 0.746907 O\n0.375346 0.543556 0.753093 O\n0.260955 0.201893 0.941173 O\n0.132511 0.687780 0.944638 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"Gd",
"Ir",
"O"
],
"chemical_system": "Cr-Gd-Ir-O",
"density": 9.412571462010437,
"density_atomic": 0.08657859749610257,
"volume": 231.00397301885516,
"volume_molar": 6.9556922081939385,
"formula_full": "Gd4 Cr2 Ir2 O12",
"formula_reduced": "Gd2CrIrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.7252271559531787,
"spacegroup": 14
},
{
"id": "oqmd-1759362",
"created_at": "2022-09-04T16:03:17.705740Z",
"updated_at": "2022-09-04T16:03:17.705767Z",
"structure_string": "K4 Ag4 H12\n1.0\n6.253606 0.000000 0.000000\n0.000000 6.013626 0.000000\n-1.373607 0.000000 7.777126\nAg H K\n4 12 4\ndirect\n0.753980 0.250175 0.031503 Ag\n0.246020 0.750175 0.468497 Ag\n0.753980 0.249825 0.531503 Ag\n0.246020 0.749825 0.968497 Ag\n0.750927 0.974384 0.028648 H\n0.762781 0.525702 0.035712 H\n0.248194 0.748288 0.217441 H\n0.751806 0.248288 0.282559 H\n0.237219 0.025702 0.464288 H\n0.249073 0.474384 0.471352 H\n0.750927 0.525616 0.528648 H\n0.762781 0.974298 0.535712 H\n0.248194 0.751712 0.717441 H\n0.751806 0.251712 0.782559 H\n0.237219 0.474298 0.964288 H\n0.249073 0.025616 0.971352 H\n0.282486 0.254018 0.224064 K\n0.717514 0.754018 0.275936 K\n0.282486 0.245982 0.724064 K\n0.717514 0.745982 0.775936 K\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"H",
"K"
],
"chemical_system": "Ag-H-K",
"density": 3.406326355223522,
"density_atomic": 0.06838233558253225,
"volume": 292.4731925229657,
"volume_molar": 8.806573669499395,
"formula_full": "K4 Ag4 H12",
"formula_reduced": "KAgH3",
"formula_anonymous": "ABC3",
"formation_energy": 0.133316246189495,
"spacegroup": 11
},
{
"id": "oqmd-1759430",
"created_at": "2022-09-04T16:03:17.698629Z",
"updated_at": "2022-09-04T16:03:17.698660Z",
"structure_string": "Nd4 P4 S12\n1.0\n5.918744 0.000000 0.000000\n0.000000 8.059176 0.000000\n-5.914096 0.000000 9.397400\nNd P S\n4 4 12\ndirect\n0.803422 0.860333 0.242353 Nd\n0.196578 0.360333 0.257647 Nd\n0.803422 0.639667 0.742353 Nd\n0.196578 0.139667 0.757647 Nd\n0.081677 0.877081 0.056013 P\n0.918323 0.377081 0.443987 P\n0.081677 0.622919 0.556013 P\n0.918323 0.122919 0.943987 P\n0.709004 0.181273 0.044214 S\n0.941526 0.641452 0.081776 S\n0.644993 0.479428 0.242807 S\n0.355007 0.979428 0.257193 S\n0.058474 0.141452 0.418224 S\n0.290996 0.681273 0.455786 S\n0.709004 0.318727 0.544214 S\n0.941526 0.858548 0.581776 S\n0.644993 0.020572 0.742807 S\n0.355007 0.520572 0.757193 S\n0.058474 0.358548 0.918224 S\n0.290996 0.818727 0.955786 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"P",
"S"
],
"chemical_system": "Nd-P-S",
"density": 4.0216867831083185,
"density_atomic": 0.04461717680317981,
"volume": 448.25785567352676,
"volume_molar": 13.497359518208714,
"formula_full": "Nd4 P4 S12",
"formula_reduced": "NdPS3",
"formula_anonymous": "ABC3",
"formation_energy": -1.2165509972000017,
"spacegroup": 14
},
{
"id": "oqmd-1759378",
"created_at": "2022-09-04T16:03:17.696816Z",
"updated_at": "2022-09-04T16:03:17.696848Z",
"structure_string": "Na4 Fe4 H12\n1.0\n4.819862 0.000000 0.000000\n0.000000 6.797697 0.000000\n0.000000 0.000000 4.824706\nFe H Na\n4 12 4\ndirect\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.497859 0.250000 0.001017 H\n0.249827 0.500619 0.249557 H\n0.249827 0.999381 0.249557 H\n0.749827 0.500619 0.250443 H\n0.749827 0.999381 0.250443 H\n0.997859 0.250000 0.498983 H\n0.002141 0.750000 0.501017 H\n0.250173 0.000619 0.749557 H\n0.250173 0.499381 0.749557 H\n0.750173 0.000619 0.750443 H\n0.750173 0.499381 0.750443 H\n0.502141 0.750000 0.998983 H\n0.998728 0.250000 0.000167 Na\n0.498728 0.250000 0.499833 Na\n0.501272 0.750000 0.500167 Na\n0.001272 0.750000 0.999833 Na\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"H",
"Na"
],
"chemical_system": "Fe-H-Na",
"density": 3.4395852996516108,
"density_atomic": 0.1265210347495435,
"volume": 158.07648142928394,
"volume_molar": 4.759794110063369,
"formula_full": "Na4 Fe4 H12",
"formula_reduced": "NaFeH3",
"formula_anonymous": "ABC3",
"formation_energy": 0.0060528115191651,
"spacegroup": 221
},
{
"id": "oqmd-1759377",
"created_at": "2022-09-04T16:03:17.692937Z",
"updated_at": "2022-09-04T16:03:17.692960Z",
"structure_string": "Na4 Cd4 H12\n1.0\n5.541670 0.000000 0.000000\n0.000000 7.704668 0.000000\n0.000000 0.000000 5.356291\nCd H Na\n4 12 4\ndirect\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.463046 0.250000 0.103192 H\n0.192256 0.554419 0.196691 H\n0.192256 0.945581 0.196691 H\n0.692256 0.554419 0.303309 H\n0.692256 0.945581 0.303309 H\n0.963046 0.250000 0.396808 H\n0.036954 0.750000 0.603192 H\n0.307744 0.054419 0.696691 H\n0.307744 0.445581 0.696691 H\n0.807744 0.054419 0.803309 H\n0.807744 0.445581 0.803309 H\n0.536954 0.750000 0.896808 H\n0.951636 0.750000 0.008577 Na\n0.451636 0.750000 0.491423 Na\n0.548364 0.250000 0.508577 Na\n0.048364 0.250000 0.991423 Na\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"H",
"Na"
],
"chemical_system": "Cd-H-Na",
"density": 4.020347368758463,
"density_atomic": 0.08745230126040916,
"volume": 228.69609732104638,
"volume_molar": 6.886200446650001,
"formula_full": "Na4 Cd4 H12",
"formula_reduced": "NaCdH3",
"formula_anonymous": "ABC3",
"formation_energy": 0.0359310080191654,
"spacegroup": 62
},
{
"id": "oqmd-1753643",
"created_at": "2022-09-04T16:03:17.689232Z",
"updated_at": "2022-09-04T16:03:17.689262Z",
"structure_string": "Rb3 Ta3 B2 O12\n1.0\n8.859398 0.000000 0.000000\n-4.429699 7.672463 0.000000\n0.000000 0.000000 3.933159\nB O Rb Ta\n2 12 3 3\ndirect\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.176790 0.000000 0.000000 O\n0.000000 0.176790 0.000000 O\n0.689506 0.190892 0.000000 O\n0.501385 0.310494 0.000000 O\n0.809108 0.498615 0.000000 O\n0.310494 0.501385 0.000000 O\n0.190892 0.689506 0.000000 O\n0.498615 0.809108 0.000000 O\n0.823210 0.823210 0.000000 O\n0.738416 0.000000 0.500000 O\n0.261584 0.261584 0.500000 O\n0.000000 0.738416 0.500000 O\n0.404240 0.000000 0.500000 Rb\n0.000000 0.404240 0.500000 Rb\n0.595760 0.595760 0.500000 Rb\n0.753923 0.000000 0.000000 Ta\n0.246077 0.246077 0.000000 Ta\n0.000000 0.753923 0.000000 Ta\n",
"nsites": 20,
"nelements": 4,
"elements": [
"B",
"O",
"Rb",
"Ta"
],
"chemical_system": "B-O-Rb-Ta",
"density": 6.290987006602708,
"density_atomic": 0.07480824687044163,
"volume": 267.3502031752924,
"volume_molar": 8.05010277868105,
"formula_full": "Rb3 Ta3 B2 O12",
"formula_reduced": "Rb3Ta3(BO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.871191148527253,
"spacegroup": 189
},
{
"id": "oqmd-1759343",
"created_at": "2022-09-04T16:03:17.688974Z",
"updated_at": "2022-09-04T16:03:17.688999Z",
"structure_string": "Sm4 Cr2 Ir2 O12\n1.0\n5.347862 0.000000 0.000000\n0.000000 5.744173 0.000000\n-5.201232 0.000000 7.695346\nCr Ir O Sm\n2 2 12 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.360949 0.190792 0.052624 O\n0.240707 0.704091 0.055907 O\n0.133081 0.037636 0.246438 O\n0.866919 0.537636 0.253562 O\n0.759293 0.204091 0.444093 O\n0.639051 0.690792 0.447376 O\n0.360949 0.309208 0.552624 O\n0.240707 0.795909 0.555907 O\n0.133081 0.462364 0.746438 O\n0.866919 0.962364 0.753562 O\n0.759293 0.295909 0.944093 O\n0.639051 0.809208 0.947376 O\n0.273483 0.426967 0.249944 Sm\n0.726517 0.926967 0.250056 Sm\n0.273483 0.073033 0.749944 Sm\n0.726517 0.573033 0.750056 Sm\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"Ir",
"O",
"Sm"
],
"chemical_system": "Cr-Ir-O-Sm",
"density": 9.004373470873741,
"density_atomic": 0.08460463204759751,
"volume": 236.39367627942937,
"volume_molar": 7.117979966642984,
"formula_full": "Sm4 Cr2 Ir2 O12",
"formula_reduced": "Sm2CrIrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.6890903939531787,
"spacegroup": 14
},
{
"id": "oqmd-1759313",
"created_at": "2022-09-04T16:03:17.688530Z",
"updated_at": "2022-09-04T16:03:17.688555Z",
"structure_string": "Gd4 Cd2 Ir2 O12\n1.0\n5.424293 0.000000 0.000000\n0.000000 5.926074 0.000000\n-5.396539 0.000000 7.849739\nCd Gd Ir O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.776382 0.078658 0.248563 Gd\n0.223618 0.578658 0.251437 Gd\n0.776382 0.421342 0.748563 Gd\n0.223618 0.921342 0.751437 Gd\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.751433 0.826094 0.060747 O\n0.917745 0.295468 0.075415 O\n0.375737 0.936896 0.232007 O\n0.624263 0.436896 0.267993 O\n0.082255 0.795468 0.424585 O\n0.248567 0.326094 0.439253 O\n0.751433 0.673906 0.560747 O\n0.917745 0.204532 0.575415 O\n0.375737 0.563104 0.732007 O\n0.624263 0.063104 0.767993 O\n0.082255 0.704532 0.924585 O\n0.248567 0.173906 0.939253 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Gd",
"Ir",
"O"
],
"chemical_system": "Cd-Gd-Ir-O",
"density": 9.412289180918282,
"density_atomic": 0.07926191630561498,
"volume": 252.32798968529585,
"volume_molar": 7.597773357863399,
"formula_full": "Gd4 Cd2 Ir2 O12",
"formula_reduced": "Gd2CdIrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.391928955527252,
"spacegroup": 14
}
]
}