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=50",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=48",
"results": [
{
"id": "oqmd-991964",
"created_at": "2022-09-04T15:35:47.545021Z",
"updated_at": "2022-09-04T15:35:47.545058Z",
"structure_string": "Cs1 K1 Rb1\n1.0\n0.000000 5.458248 5.458248\n5.458248 0.000000 5.458248\n5.458248 5.458248 0.000000\nCs K Rb\n1 1 1\ndirect\n0.250001 0.250001 0.250001 Cs\n0.750001 0.750001 0.750001 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cs",
"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.3145846582780516,
"density_atomic": 0.009224258521847288,
"volume": 325.22939300699556,
"volume_molar": 65.2859061325829,
"formula_full": "Cs1 K1 Rb1",
"formula_reduced": "CsKRb",
"formula_anonymous": "ABC",
"formation_energy": 0.112217135,
"spacegroup": 216
},
{
"id": "oqmd-1240562",
"created_at": "2022-09-04T15:40:53.775063Z",
"updated_at": "2022-09-04T15:40:53.775087Z",
"structure_string": "Sr2 Nd4\n1.0\n0.000000 6.876754 6.876754\n6.876754 0.000000 6.876754\n6.876754 6.876754 0.000000\nNd Sr\n4 2\ndirect\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\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Sr"
],
"chemical_system": "Nd-Sr",
"density": 1.9204658265338146,
"density_atomic": 0.009225093752913902,
"volume": 650.3998941045774,
"volume_molar": 65.27999520978098,
"formula_full": "Sr2 Nd4",
"formula_reduced": "SrNd2",
"formula_anonymous": "AB2",
"formation_energy": 2.60766698,
"spacegroup": 227
},
{
"id": "oqmd-1238730",
"created_at": "2022-09-04T15:40:48.286369Z",
"updated_at": "2022-09-04T15:40:48.286389Z",
"structure_string": "Dy4 Bi2\n1.0\n4.864181 2.808336 7.934761\n-4.864181 2.808336 7.934761\n0.000000 -5.616673 7.934761\nBi Dy\n2 4\ndirect\n0.249963 0.249963 0.249963 Bi\n0.500040 0.500040 0.500040 Bi\n0.375000 0.874996 0.375000 Dy\n0.874996 0.375000 0.375000 Dy\n0.375001 0.375001 0.375001 Dy\n0.375000 0.375000 0.874996 Dy\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Dy"
],
"chemical_system": "Bi-Dy",
"density": 2.7268450683676377,
"density_atomic": 0.009225869435336936,
"volume": 650.3452105032825,
"volume_molar": 65.27450667070995,
"formula_full": "Dy4 Bi2",
"formula_reduced": "Dy2Bi",
"formula_anonymous": "AB2",
"formation_energy": 1.22867497388889,
"spacegroup": 227
},
{
"id": "oqmd-1238624",
"created_at": "2022-09-04T15:40:47.623280Z",
"updated_at": "2022-09-04T15:40:47.623307Z",
"structure_string": "Pa2 Sn4\n1.0\n4.862117 2.807145 7.939804\n-4.862117 2.807145 7.939804\n0.000000 -5.614289 7.939804\nPa Sn\n2 4\ndirect\n0.500000 0.500000 0.500000 Pa\n0.750000 0.750000 0.750000 Pa\n0.625001 0.625001 0.124999 Sn\n0.625001 0.124999 0.625001 Sn\n0.124999 0.625001 0.625001 Sn\n0.625001 0.625001 0.625001 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pa",
"Sn"
],
"chemical_system": "Pa-Sn",
"density": 2.39274576170752,
"density_atomic": 0.009227839205396911,
"volume": 650.2063881315676,
"volume_molar": 65.26057320632489,
"formula_full": "Pa2 Sn4",
"formula_reduced": "PaSn2",
"formula_anonymous": "AB2",
"formation_energy": 1.57189932876587,
"spacegroup": 227
},
{
"id": "oqmd-955471",
"created_at": "2022-09-04T15:34:30.972441Z",
"updated_at": "2022-09-04T15:34:30.972473Z",
"structure_string": "Cs1 K1 Rb1\n1.0\n0.000000 5.457489 5.457489\n5.457489 0.000000 5.457489\n5.457489 5.457489 0.000000\nCs K Rb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cs",
"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.3151332119408314,
"density_atomic": 0.00922810764694298,
"volume": 325.0937369584996,
"volume_molar": 65.25867480528329,
"formula_full": "Cs1 K1 Rb1",
"formula_reduced": "CsKRb",
"formula_anonymous": "ABC",
"formation_energy": 0.148793991666667,
"spacegroup": 216
},
{
"id": "oqmd-1238928",
"created_at": "2022-09-04T15:40:47.439756Z",
"updated_at": "2022-09-04T15:40:47.439777Z",
"structure_string": "Dy2 Tl4\n1.0\n4.861733 2.806923 7.939177\n-4.861733 2.806923 7.939177\n0.000000 -5.613846 7.939177\nDy Tl\n2 4\ndirect\n0.500000 0.500000 0.500000 Dy\n0.750000 0.750000 0.750000 Dy\n0.625000 0.625000 0.125001 Tl\n0.625000 0.125001 0.625000 Tl\n0.125001 0.625000 0.625000 Tl\n0.625000 0.625000 0.625000 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Tl"
],
"chemical_system": "Dy-Tl",
"density": 2.9185664646792073,
"density_atomic": 0.00923002573953439,
"volume": 650.052358391654,
"volume_molar": 65.24511339340846,
"formula_full": "Dy2 Tl4",
"formula_reduced": "DyTl2",
"formula_anonymous": "AB2",
"formation_energy": 1.18227819111111,
"spacegroup": 227
},
{
"id": "oqmd-1239749",
"created_at": "2022-09-04T15:40:50.071951Z",
"updated_at": "2022-09-04T15:40:50.071961Z",
"structure_string": "Ca4 Sb2\n1.0\n4.861171 2.806599 7.938259\n-4.861171 2.806599 7.938259\n0.000000 -5.613197 7.938259\nCa Sb\n4 2\ndirect\n0.624999 0.624999 0.125000 Ca\n0.624999 0.125000 0.624999 Ca\n0.125000 0.624999 0.624999 Ca\n0.624999 0.624999 0.624999 Ca\n0.500000 0.500000 0.500000 Sb\n0.750001 0.750001 0.750001 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 1.0319344224270326,
"density_atomic": 0.009233227206995692,
"volume": 649.8269635836548,
"volume_molar": 65.22249073906939,
"formula_full": "Ca4 Sb2",
"formula_reduced": "Ca2Sb",
"formula_anonymous": "AB2",
"formation_energy": -0.0157588100000006,
"spacegroup": 227
},
{
"id": "oqmd-1239920",
"created_at": "2022-09-04T15:40:50.604602Z",
"updated_at": "2022-09-04T15:40:50.604627Z",
"structure_string": "Na2 I4\n1.0\n0.000000 6.874557 6.874557\n6.874557 0.000000 6.874557\n6.874557 6.874557 0.000000\nI Na\n4 2\ndirect\n0.125000 0.125000 0.125000 I\n0.625000 0.125000 0.125000 I\n0.125000 0.625000 0.125000 I\n0.125000 0.125000 0.625000 I\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Na"
],
"chemical_system": "I-Na",
"density": 1.4147477320380928,
"density_atomic": 0.009233941163233613,
"volume": 649.7767198138474,
"volume_molar": 65.21744782150117,
"formula_full": "Na2 I4",
"formula_reduced": "NaI2",
"formula_anonymous": "AB2",
"formation_energy": -0.523950450236094,
"spacegroup": 227
},
{
"id": "oqmd-1238384",
"created_at": "2022-09-04T15:40:45.544092Z",
"updated_at": "2022-09-04T15:40:45.544121Z",
"structure_string": "Pm4 Pb2\n1.0\n4.860612 2.806276 7.937346\n-4.860612 2.806276 7.937346\n0.000000 -5.612551 7.937346\nPb Pm\n2 4\ndirect\n0.250000 0.250000 0.250000 Pb\n0.499999 0.499999 0.499999 Pb\n0.875001 0.375000 0.375000 Pm\n0.375000 0.875001 0.375000 Pm\n0.375000 0.375000 0.375000 Pm\n0.375000 0.375000 0.875001 Pm\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Pm"
],
"chemical_system": "Pb-Pm",
"density": 2.5419228506710008,
"density_atomic": 0.009236414247641562,
"volume": 649.6027396705434,
"volume_molar": 65.19998560629415,
"formula_full": "Pm4 Pb2",
"formula_reduced": "Pm2Pb",
"formula_anonymous": "AB2",
"formation_energy": 1.31366599166667,
"spacegroup": 227
},
{
"id": "oqmd-1239851",
"created_at": "2022-09-04T15:40:51.120871Z",
"updated_at": "2022-09-04T15:40:51.120887Z",
"structure_string": "Ca2 La4\n1.0\n4.860489 2.806205 7.937146\n-4.860489 2.806205 7.937146\n0.000000 -5.612410 7.937146\nCa La\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.625000 0.625000 0.124999 La\n0.625000 0.124999 0.625000 La\n0.124999 0.625000 0.625000 La\n0.625000 0.625000 0.625000 La\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"La"
],
"chemical_system": "Ca-La",
"density": 1.625322446507909,
"density_atomic": 0.009237113335846814,
"volume": 649.5535760848114,
"volume_molar": 65.19505110573506,
"formula_full": "Ca2 La4",
"formula_reduced": "CaLa2",
"formula_anonymous": "AB2",
"formation_energy": 2.23540029166667,
"spacegroup": 227
},
{
"id": "oqmd-1241272",
"created_at": "2022-09-04T15:40:58.702731Z",
"updated_at": "2022-09-04T15:40:58.702758Z",
"structure_string": "Mg4 Ti2\n1.0\n4.859247 2.805487 7.935117\n-4.859247 2.805487 7.935117\n0.000000 -5.610975 7.935117\nMg Ti\n4 2\ndirect\n0.625000 0.625000 0.125000 Mg\n0.625000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 0.49365212527981894,
"density_atomic": 0.00924420095754089,
"volume": 649.0555568359366,
"volume_molar": 65.14506540543651,
"formula_full": "Mg4 Ti2",
"formula_reduced": "Mg2Ti",
"formula_anonymous": "AB2",
"formation_energy": 1.84153220929347,
"spacegroup": 227
},
{
"id": "oqmd-1238514",
"created_at": "2022-09-04T15:40:46.548810Z",
"updated_at": "2022-09-04T15:40:46.548833Z",
"structure_string": "K2 Sc4\n1.0\n4.858542 2.805081 7.933966\n-4.858542 2.805081 7.933966\n0.000000 -5.610161 7.933966\nK Sc\n2 4\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.375001 0.375001 0.375001 Sc\n0.875000 0.375001 0.375001 Sc\n0.375001 0.875000 0.375001 Sc\n0.375001 0.375001 0.875000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Sc"
],
"chemical_system": "K-Sc",
"density": 0.6604044394713806,
"density_atomic": 0.009248224180607572,
"volume": 648.7732004357429,
"volume_molar": 65.11672557232895,
"formula_full": "K2 Sc4",
"formula_reduced": "KSc2",
"formula_anonymous": "AB2",
"formation_energy": 3.257384715,
"spacegroup": 227
}
]
}