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=updated_at&page=103",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=updated_at&page=101",
"results": [
{
"id": "oqmd-27431",
"created_at": "2022-09-04T14:48:50.567397Z",
"updated_at": "2022-09-04T14:48:50.567425Z",
"structure_string": "Eu2 Hg2 Pb2\n1.0\n5.012011 0.000000 0.000000\n-2.506006 4.340331 0.000000\n0.000000 0.000000 7.860026\nEu Hg Pb\n2 2 2\ndirect\n0.000000 0.000000 0.250597 Eu\n0.000000 0.000000 0.750598 Eu\n0.333339 0.666677 0.056607 Hg\n0.666662 0.333323 0.556606 Hg\n0.333341 0.666682 0.462796 Pb\n0.666660 0.333318 0.962796 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Hg",
"Pb"
],
"chemical_system": "Eu-Hg-Pb",
"density": 10.872200429414315,
"density_atomic": 0.035090729881068386,
"volume": 170.9853291833929,
"volume_molar": 17.161628670622132,
"formula_full": "Eu2 Hg2 Pb2",
"formula_reduced": "EuHgPb",
"formula_anonymous": "ABC",
"formation_energy": -0.559258896655423,
"spacegroup": 186
},
{
"id": "oqmd-6763",
"created_at": "2022-09-04T14:48:50.568185Z",
"updated_at": "2022-09-04T14:48:50.568202Z",
"structure_string": "Cs8 Te4\n1.0\n9.549362 0.000000 0.000000\n0.000000 5.891268 0.000000\n0.000000 0.000000 11.622767\nCs Te\n8 4\ndirect\n0.351078 0.750000 0.073476 Cs\n0.025172 0.250001 0.174321 Cs\n0.525172 0.250001 0.325680 Cs\n0.851078 0.750000 0.426524 Cs\n0.148923 0.250001 0.573475 Cs\n0.474826 0.750000 0.674320 Cs\n0.974827 0.750000 0.825679 Cs\n0.648922 0.250001 0.926525 Cs\n0.752878 0.750000 0.112096 Te\n0.252878 0.750000 0.387904 Te\n0.747122 0.250001 0.612095 Te\n0.247122 0.250001 0.887905 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cs",
"Te"
],
"chemical_system": "Cs-Te",
"density": 3.996343525673412,
"density_atomic": 0.018352218771347264,
"volume": 653.8718914322893,
"volume_molar": 32.81423807677237,
"formula_full": "Cs8 Te4",
"formula_reduced": "Cs2Te",
"formula_anonymous": "AB2",
"formation_energy": -1.01949802777778,
"spacegroup": 62
},
{
"id": "oqmd-7208",
"created_at": "2022-09-04T14:48:50.571966Z",
"updated_at": "2022-09-04T14:48:50.571980Z",
"structure_string": "Ce3 B6 C3\n1.0\n-3.353348 1.936057 3.946944\n-3.353348 -1.936057 -3.946944\n0.000000 -3.872112 3.946944\nB C Ce\n6 3 3\ndirect\n0.499999 0.223287 0.223287 B\n0.776712 0.500000 0.223287 B\n0.223288 0.223287 0.499999 B\n0.776712 0.776711 0.499999 B\n0.223287 0.500000 0.776713 B\n0.500000 0.776713 0.776713 B\n0.000000 0.000000 0.500000 C\n0.500001 0.000000 0.000000 C\n0.000000 0.500001 0.000000 C\n0.000000 0.000000 0.000000 Ce\n0.310806 0.689191 0.310806 Ce\n0.689192 0.310806 0.689192 Ce\n",
"nsites": 12,
"nelements": 3,
"elements": [
"B",
"C",
"Ce"
],
"chemical_system": "B-C-Ce",
"density": 5.629671913940658,
"density_atomic": 0.07804991164845616,
"volume": 153.74777173418315,
"volume_molar": 7.715756024330002,
"formula_full": "Ce3 B6 C3",
"formula_reduced": "CeB2C",
"formula_anonymous": "ABC2",
"formation_energy": -0.364420752916667,
"spacegroup": 166
},
{
"id": "oqmd-35490",
"created_at": "2022-09-04T14:48:50.579271Z",
"updated_at": "2022-09-04T14:48:50.579300Z",
"structure_string": "Ac2 Mg2\n1.0\n4.010844 0.000000 0.000000\n2.005422 -2.919620 5.882927\n0.000000 -5.832892 -0.016081\nAc Mg\n2 2\ndirect\n0.736866 0.526265 0.152901 Ac\n0.513132 0.973735 0.430432 Ac\n0.277782 0.444435 0.693427 Mg\n0.972217 0.055564 0.889906 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.055824000571742,
"density_atomic": 0.029023715852714647,
"volume": 137.81832830429505,
"volume_molar": 20.74903430890892,
"formula_full": "Ac2 Mg2",
"formula_reduced": "AcMg",
"formula_anonymous": "AB",
"formation_energy": -0.0524781058333348,
"spacegroup": 74
},
{
"id": "oqmd-26328",
"created_at": "2022-09-04T14:48:50.585714Z",
"updated_at": "2022-09-04T14:48:50.585737Z",
"structure_string": "Na3 Sr3 P3\n1.0\n7.659760 -0.000043 0.000000\n-3.829917 6.633525 0.000000\n0.000000 0.000000 4.478103\nNa P Sr\n3 3 3\ndirect\n0.241681 0.241682 0.000000 Na\n0.000000 0.758315 0.000000 Na\n0.758314 0.000000 0.000000 Na\n0.666610 0.333304 0.000000 P\n0.333303 0.666610 0.000000 P\n0.000000 0.000000 0.500000 P\n0.000000 0.415829 0.500000 Sr\n0.584167 0.584167 0.500000 Sr\n0.415828 0.000000 0.500000 Sr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"P",
"Sr"
],
"chemical_system": "Na-P-Sr",
"density": 3.099780121176187,
"density_atomic": 0.03955399060708583,
"volume": 227.53709200678503,
"volume_molar": 15.225115513177004,
"formula_full": "Na3 Sr3 P3",
"formula_reduced": "NaSrP",
"formula_anonymous": "ABC",
"formation_energy": -0.92445402438164,
"spacegroup": 189
},
{
"id": "oqmd-4800",
"created_at": "2022-09-04T14:48:50.586148Z",
"updated_at": "2022-09-04T14:48:50.586185Z",
"structure_string": "Ca2 H2 Cl2\n1.0\n3.800353 0.000000 0.000000\n0.000000 3.800353 0.000000\n0.000000 0.000000 7.014842\nCa Cl H\n2 2 2\ndirect\n0.000000 0.500001 0.189286 Ca\n0.500001 0.000000 0.810714 Ca\n0.500001 0.000000 0.347120 Cl\n0.000000 0.500001 0.652880 Cl\n0.000000 0.000000 0.000000 H\n0.500001 0.500001 0.000000 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cl",
"H"
],
"chemical_system": "Ca-Cl-H",
"density": 2.5089717192927488,
"density_atomic": 0.05922232864080016,
"volume": 101.31313877223003,
"volume_molar": 10.168699708729715,
"formula_full": "Ca2 H2 Cl2",
"formula_reduced": "CaHCl",
"formula_anonymous": "ABC",
"formation_energy": -1.6319818176011,
"spacegroup": 129
},
{
"id": "oqmd-4505",
"created_at": "2022-09-04T14:48:50.587766Z",
"updated_at": "2022-09-04T14:48:50.587804Z",
"structure_string": "Mn4 Te8\n1.0\n6.666260 -0.000041 -0.000017\n-0.000041 6.666258 0.000037\n-0.000017 0.000037 6.666256\nMn Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500001 0.000000 Mn\n0.634951 0.865046 0.134950 Te\n0.865048 0.365050 0.134950 Te\n0.365049 0.365051 0.365048 Te\n0.134950 0.865048 0.365049 Te\n0.865050 0.134952 0.634952 Te\n0.634951 0.634949 0.634953 Te\n0.134953 0.634950 0.865049 Te\n0.365049 0.134953 0.865049 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.953729299732513,
"density_atomic": 0.04050744886625921,
"volume": 296.24181072522276,
"volume_molar": 14.866749026538077,
"formula_full": "Mn4 Te8",
"formula_reduced": "MnTe2",
"formula_anonymous": "AB2",
"formation_energy": -0.124816980986587,
"spacegroup": 205
},
{
"id": "oqmd-4257",
"created_at": "2022-09-04T14:48:50.593754Z",
"updated_at": "2022-09-04T14:48:50.593780Z",
"structure_string": "Mn2 Sn1 S4\n1.0\n0.000000 0.000000 -3.651405\n-3.654491 -5.170800 0.000000\n-3.654491 5.170800 0.000000\nMn S Sn\n2 4 1\ndirect\n0.499999 0.500001 0.000000 Mn\n0.499999 0.000000 0.500001 Mn\n0.000000 0.751061 0.248939 S\n0.499999 0.250597 0.250597 S\n0.499999 0.749403 0.749403 S\n0.000000 0.248939 0.751061 S\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"S",
"Sn"
],
"chemical_system": "Mn-S-Sn",
"density": 4.293934363464415,
"density_atomic": 0.0507251572013692,
"volume": 137.99858662263648,
"volume_molar": 11.872098761750998,
"formula_full": "Mn2 Sn1 S4",
"formula_reduced": "Mn2SnS4",
"formula_anonymous": "AB2C4",
"formation_energy": -0.621997611498689,
"spacegroup": 65
},
{
"id": "oqmd-7937",
"created_at": "2022-09-04T14:48:50.597467Z",
"updated_at": "2022-09-04T14:48:50.597493Z",
"structure_string": "Sc2 Ge2\n1.0\n0.000000 0.000000 3.781738\n4.020335 0.000000 0.000000\n2.010167 5.059712 0.000000\nGe Sc\n2 2\ndirect\n0.749999 0.409912 0.180178 Ge\n0.249999 0.590087 0.819823 Ge\n0.249999 0.863005 0.273988 Sc\n0.749999 0.136995 0.726012 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"Sc"
],
"chemical_system": "Ge-Sc",
"density": 5.0768208694468075,
"density_atomic": 0.05199726653708804,
"volume": 76.92712071983483,
"volume_molar": 11.581648730908947,
"formula_full": "Sc2 Ge2",
"formula_reduced": "ScGe",
"formula_anonymous": "AB",
"formation_energy": -0.8293775475,
"spacegroup": 63
},
{
"id": "oqmd-8148",
"created_at": "2022-09-04T14:48:50.598034Z",
"updated_at": "2022-09-04T14:48:50.598065Z",
"structure_string": "Si4 Ru8\n1.0\n5.315033 0.000000 0.000000\n0.000000 4.038377 0.000000\n0.000000 0.000000 7.455517\nRu Si\n8 4\ndirect\n0.833686 0.249999 0.065091 Ru\n0.513905 0.749999 0.211975 Ru\n0.013904 0.749999 0.288026 Ru\n0.333686 0.249999 0.434909 Ru\n0.666314 0.749999 0.565092 Ru\n0.986095 0.249999 0.711975 Ru\n0.486095 0.249999 0.788026 Ru\n0.166313 0.749999 0.934909 Ru\n0.298997 0.249999 0.098590 Si\n0.798998 0.249999 0.401410 Si\n0.201002 0.749999 0.598590 Si\n0.701002 0.749999 0.901410 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ru",
"Si"
],
"chemical_system": "Ru-Si",
"density": 9.555907203802299,
"density_atomic": 0.07498780755044399,
"volume": 160.02601478817274,
"volume_molar": 8.03082655263515,
"formula_full": "Si4 Ru8",
"formula_reduced": "SiRu2",
"formula_anonymous": "AB2",
"formation_energy": -0.397096288333332,
"spacegroup": 62
},
{
"id": "oqmd-3263",
"created_at": "2022-09-04T14:48:50.600255Z",
"updated_at": "2022-09-04T14:48:50.600294Z",
"structure_string": "Zn2 Cl4\n1.0\n5.398835 0.000000 0.000000\n0.000000 5.398835 0.000000\n-2.699417 -2.699417 5.188002\nCl Zn\n4 2\ndirect\n0.369555 0.375000 0.250000 Cl\n0.880446 0.875001 0.250000 Cl\n0.625000 0.119554 0.750000 Cl\n0.125000 0.630446 0.750000 Cl\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cl",
"Zn"
],
"chemical_system": "Cl-Zn",
"density": 2.9937980197996197,
"density_atomic": 0.03967811265482091,
"volume": 151.216869920122,
"volume_molar": 15.177487932426411,
"formula_full": "Zn2 Cl4",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"formation_energy": -1.38233758207942,
"spacegroup": 122
},
{
"id": "oqmd-10712",
"created_at": "2022-09-04T14:48:50.602249Z",
"updated_at": "2022-09-04T14:48:50.602273Z",
"structure_string": "Rb1 Au1\n1.0\n4.104943 0.000000 0.000000\n0.000000 4.104943 0.000000\n0.000000 0.000000 4.104943\nAu Rb\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Rb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Au",
"Rb"
],
"chemical_system": "Au-Rb",
"density": 6.780242838046837,
"density_atomic": 0.028914028357370666,
"volume": 69.17057613973623,
"volume_molar": 20.827747298189454,
"formula_full": "Rb1 Au1",
"formula_reduced": "RbAu",
"formula_anonymous": "AB",
"formation_energy": -0.27690996,
"spacegroup": 221
}
]
}