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=-volume_molar&page=105",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=103",
"results": [
{
"id": "oqmd-1237263",
"created_at": "2022-09-04T15:40:42.177922Z",
"updated_at": "2022-09-04T15:40:42.177956Z",
"structure_string": "Re4 Bi2\n1.0\n4.548674 2.626178 7.427954\n-4.548674 2.626178 7.427954\n0.000000 -5.252357 7.427954\nBi Re\n2 4\ndirect\n0.250001 0.250001 0.250001 Bi\n0.500000 0.500000 0.500000 Bi\n0.374999 0.374999 0.374999 Re\n0.875001 0.374999 0.374999 Re\n0.374999 0.875001 0.374999 Re\n0.374999 0.374999 0.875001 Re\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Re"
],
"chemical_system": "Bi-Re",
"density": 3.6267736784070825,
"density_atomic": 0.011269944259995376,
"volume": 532.3895009222043,
"volume_molar": 53.43540856166108,
"formula_full": "Re4 Bi2",
"formula_reduced": "Re2Bi",
"formula_anonymous": "AB2",
"formation_energy": 4.11456227,
"spacegroup": 227
},
{
"id": "oqmd-1239977",
"created_at": "2022-09-04T15:40:52.236012Z",
"updated_at": "2022-09-04T15:40:52.236045Z",
"structure_string": "Yb4 Mn2\n1.0\n4.548064 2.625826 7.429415\n-4.548064 2.625826 7.429415\n0.000000 -5.251652 7.429415\nMn Yb\n2 4\ndirect\n0.500041 0.500041 0.500041 Mn\n0.749941 0.749941 0.749941 Mn\n0.624985 0.624985 0.125057 Yb\n0.624985 0.125057 0.624985 Yb\n0.125057 0.624985 0.624985 Yb\n0.624991 0.624991 0.624991 Yb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Yb"
],
"chemical_system": "Mn-Yb",
"density": 2.501754146184229,
"density_atomic": 0.011270751385096527,
"volume": 532.3513752538171,
"volume_molar": 53.43158192596779,
"formula_full": "Yb4 Mn2",
"formula_reduced": "Yb2Mn",
"formula_anonymous": "AB2",
"formation_energy": 1.4651160004023,
"spacegroup": 227
},
{
"id": "oqmd-18971",
"created_at": "2022-09-04T14:49:19.419019Z",
"updated_at": "2022-09-04T14:49:19.419046Z",
"structure_string": "Rb1\n1.0\n0.000000 0.000000 -5.364701\n2.875559 2.875559 2.682351\n2.875559 -2.875559 -2.682351\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.599674196988869,
"density_atomic": 0.011271453328313185,
"volume": 88.71970373936276,
"volume_molar": 53.42825441039409,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"formation_energy": 0.00165936,
"spacegroup": 139
},
{
"id": "oqmd-1236690",
"created_at": "2022-09-04T15:40:28.172871Z",
"updated_at": "2022-09-04T15:40:28.172903Z",
"structure_string": "I4 Cl2\n1.0\n4.548392 2.626015 7.427493\n-4.548392 2.626015 7.427493\n0.000000 -5.252031 7.427493\nCl I\n2 4\ndirect\n0.500001 0.500001 0.500001 Cl\n0.750000 0.750000 0.750000 Cl\n0.625000 0.625000 0.124998 I\n0.625000 0.124998 0.625000 I\n0.124998 0.625000 0.625000 I\n0.625000 0.625000 0.625000 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cl",
"I"
],
"chemical_system": "Cl-I",
"density": 1.80476949416386,
"density_atomic": 0.011272042153521521,
"volume": 532.2904153730057,
"volume_molar": 53.42546344291846,
"formula_full": "I4 Cl2",
"formula_reduced": "I2Cl",
"formula_anonymous": "AB2",
"formation_energy": 0.0446407448414143,
"spacegroup": 227
},
{
"id": "oqmd-1236753",
"created_at": "2022-09-04T15:40:28.069096Z",
"updated_at": "2022-09-04T15:40:28.069123Z",
"structure_string": "Zr4 Sb2\n1.0\n4.547956 2.625763 7.426781\n-4.547956 2.625763 7.426781\n0.000000 -5.251527 7.426781\nSb Zr\n2 4\ndirect\n0.499999 0.499999 0.499999 Sb\n0.750000 0.750000 0.750000 Sb\n0.625000 0.625000 0.125000 Zr\n0.625000 0.125000 0.625000 Zr\n0.125000 0.625000 0.625000 Zr\n0.625000 0.625000 0.625000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"Zr"
],
"chemical_system": "Sb-Zr",
"density": 1.8985674117115754,
"density_atomic": 0.011275285527955014,
"volume": 532.1373002150672,
"volume_molar": 53.410095425691885,
"formula_full": "Zr4 Sb2",
"formula_reduced": "Zr2Sb",
"formula_anonymous": "AB2",
"formation_energy": 2.08632517166667,
"spacegroup": 227
},
{
"id": "oqmd-1240271",
"created_at": "2022-09-04T15:40:52.038377Z",
"updated_at": "2022-09-04T15:40:52.038408Z",
"structure_string": "Nd2 Sm4\n1.0\n4.547458 2.625476 7.425969\n-4.547458 2.625476 7.425969\n0.000000 -5.250953 7.425969\nNd Sm\n2 4\ndirect\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Nd\n0.625001 0.625001 0.124999 Sm\n0.625001 0.124999 0.625001 Sm\n0.124999 0.625001 0.625001 Sm\n0.625001 0.625001 0.625001 Sm\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Sm"
],
"chemical_system": "Nd-Sm",
"density": 2.777927006737204,
"density_atomic": 0.011278986157036862,
"volume": 531.9627062629784,
"volume_molar": 53.39257160310315,
"formula_full": "Nd2 Sm4",
"formula_reduced": "NdSm2",
"formula_anonymous": "AB2",
"formation_energy": 2.18581294666667,
"spacegroup": 227
},
{
"id": "oqmd-879495",
"created_at": "2022-09-04T15:32:43.739089Z",
"updated_at": "2022-09-04T15:32:43.739115Z",
"structure_string": "Cs1 K1 Ca1\n1.0\n0.000000 5.102706 5.102706\n5.102706 0.000000 5.102706\n5.102706 5.102706 0.000000\nCa Cs K\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 K\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Cs",
"K"
],
"chemical_system": "Ca-Cs-K",
"density": 1.3253200384911914,
"density_atomic": 0.011289887633091631,
"volume": 265.7245224661707,
"volume_molar": 53.34101592250207,
"formula_full": "Cs1 K1 Ca1",
"formula_reduced": "CsKCa",
"formula_anonymous": "ABC",
"formation_energy": 0.375285268333333,
"spacegroup": 216
},
{
"id": "oqmd-1236959",
"created_at": "2022-09-04T15:40:40.326744Z",
"updated_at": "2022-09-04T15:40:40.326765Z",
"structure_string": "Nd4 Ga2\n1.0\n4.545970 2.624617 7.423538\n-4.545970 2.624617 7.423538\n0.000000 -5.249234 7.423538\nGa Nd\n2 4\ndirect\n0.500001 0.500001 0.500001 Ga\n0.750001 0.750001 0.750001 Ga\n0.625000 0.625000 0.125000 Nd\n0.625000 0.125000 0.625000 Nd\n0.125000 0.625000 0.625000 Nd\n0.625000 0.625000 0.625000 Nd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ga",
"Nd"
],
"chemical_system": "Ga-Nd",
"density": 2.238507080410568,
"density_atomic": 0.011290068090641182,
"volume": 531.4405503872607,
"volume_molar": 53.340163333399275,
"formula_full": "Nd4 Ga2",
"formula_reduced": "Nd2Ga",
"formula_anonymous": "AB2",
"formation_energy": 1.18771642333333,
"spacegroup": 227
},
{
"id": "oqmd-1241161",
"created_at": "2022-09-04T15:40:57.277644Z",
"updated_at": "2022-09-04T15:40:57.277674Z",
"structure_string": "Ta4 I2\n1.0\n4.545609 2.624408 7.422948\n-4.545609 2.624408 7.422948\n0.000000 -5.248817 7.422948\nI Ta\n2 4\ndirect\n0.500000 0.500000 0.500000 I\n0.750001 0.750001 0.750001 I\n0.625000 0.625000 0.124999 Ta\n0.625000 0.124999 0.625000 Ta\n0.124999 0.625000 0.625000 Ta\n0.625000 0.625000 0.625000 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Ta"
],
"chemical_system": "I-Ta",
"density": 3.0553385645462616,
"density_atomic": 0.011292759975693427,
"volume": 531.3138694981935,
"volume_molar": 53.327448497639864,
"formula_full": "Ta4 I2",
"formula_reduced": "Ta2I",
"formula_anonymous": "AB2",
"formation_energy": 3.81123171585723,
"spacegroup": 227
},
{
"id": "oqmd-1241320",
"created_at": "2022-09-04T15:41:04.613166Z",
"updated_at": "2022-09-04T15:41:04.613194Z",
"structure_string": "Sm2 Re4\n1.0\n4.545449 2.624316 7.422688\n-4.545449 2.624316 7.422688\n0.000000 -5.248633 7.422688\nRe Sm\n4 2\ndirect\n0.625000 0.625000 0.125000 Re\n0.625000 0.125000 0.625000 Re\n0.125000 0.625000 0.625000 Re\n0.625000 0.625000 0.625000 Re\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Sm\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"Sm"
],
"chemical_system": "Re-Sm",
"density": 3.268042109004041,
"density_atomic": 0.01129394897039493,
"volume": 531.2579342910021,
"volume_molar": 53.321834336120766,
"formula_full": "Sm2 Re4",
"formula_reduced": "SmRe2",
"formula_anonymous": "AB2",
"formation_energy": 4.2939930725,
"spacegroup": 227
},
{
"id": "oqmd-1240470",
"created_at": "2022-09-04T15:40:52.582979Z",
"updated_at": "2022-09-04T15:40:52.582999Z",
"structure_string": "Pr2 Pu4\n1.0\n4.544513 2.623776 7.421159\n-4.544513 2.623776 7.421159\n0.000000 -5.247552 7.421159\nPr Pu\n2 4\ndirect\n0.500001 0.500001 0.500001 Pr\n0.750000 0.750000 0.750000 Pr\n0.625001 0.625001 0.124999 Pu\n0.625001 0.124999 0.625001 Pu\n0.625001 0.625001 0.625001 Pu\n0.124999 0.625001 0.625001 Pu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Pu"
],
"chemical_system": "Pr-Pu",
"density": 3.933950385902407,
"density_atomic": 0.0113009293057324,
"volume": 530.9297879561549,
"volume_molar": 53.28889861248196,
"formula_full": "Pr2 Pu4",
"formula_reduced": "PrPu2",
"formula_anonymous": "AB2",
"formation_energy": 2.52943829416667,
"spacegroup": 227
},
{
"id": "oqmd-1238414",
"created_at": "2022-09-04T15:40:45.860000Z",
"updated_at": "2022-09-04T15:40:45.860018Z",
"structure_string": "Al4 Cl2\n1.0\n4.544251 2.623625 7.420731\n-4.544251 2.623625 7.420731\n0.000000 -5.247249 7.420731\nAl Cl\n4 2\ndirect\n0.624999 0.624999 0.125001 Al\n0.624999 0.125001 0.624999 Al\n0.125001 0.624999 0.624999 Al\n0.624999 0.624999 0.624999 Al\n0.500000 0.500000 0.500000 Cl\n0.749999 0.749999 0.749999 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 0.5594132517431784,
"density_atomic": 0.01130288462096929,
"volume": 530.8379410392905,
"volume_molar": 53.2796800281198,
"formula_full": "Al4 Cl2",
"formula_reduced": "Al2Cl",
"formula_anonymous": "AB2",
"formation_energy": 0.825214744793626,
"spacegroup": 227
}
]
}