HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=994",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=992",
"results": [
{
"id": "jvasp-103612",
"created_at": "2022-09-04T14:36:41.136226Z",
"updated_at": "2022-09-04T14:36:41.136250Z",
"structure_string": "La1 Pr3\n1.0\n5.224165 -0.000000 0.000000\n0.000000 5.224165 0.000000\n-0.000000 -0.000000 5.224165\nLa Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Pr"
],
"chemical_system": "La-Pr",
"density": 6.541050738930235,
"density_atomic": 0.028054939443237305,
"volume": 142.5773884877947,
"volume_molar": 21.465527566667582,
"formula_full": "La1 Pr3",
"formula_reduced": "LaPr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7308986375,
"spacegroup": 221
},
{
"id": "jvasp-86451",
"created_at": "2022-09-04T14:36:13.573069Z",
"updated_at": "2022-09-04T14:36:13.573097Z",
"structure_string": "La2 P2 Pd2\n1.0\n4.292607 0.000000 0.000000\n-2.146303 3.717506 0.000000\n0.000000 -0.000000 8.004847\nLa P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666668 0.333333 0.750000 P\n0.333334 0.666668 0.250000 P\n0.333334 0.666668 0.750000 Pd\n0.666668 0.333333 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"P",
"Pd"
],
"chemical_system": "La-P-Pd",
"density": 7.183447594902083,
"density_atomic": 0.04697052423243808,
"volume": 127.73968564430817,
"volume_molar": 12.821106126469585,
"formula_full": "La2 P2 Pd2",
"formula_reduced": "LaPPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4828220666666665,
"spacegroup": 194
},
{
"id": "jvasp-99061",
"created_at": "2022-09-04T14:35:52.708155Z",
"updated_at": "2022-09-04T14:35:52.708173Z",
"structure_string": "La6 P17 Pd6\n1.0\n8.576026 0.000000 -3.032083\n-4.288012 7.427056 -3.032083\n0.000000 0.000000 9.096249\nLa P Pd\n6 17 6\ndirect\n0.000000 0.286248 0.286248 La\n0.713753 -0.000000 0.713753 La\n0.286248 -0.000000 0.286248 La\n0.286248 0.286248 0.000000 La\n0.713753 0.713753 0.000001 La\n0.000000 0.713753 0.713753 La\n0.000000 0.566037 0.000000 P\n0.566037 -0.000000 0.000000 P\n0.433963 0.433963 0.433963 P\n0.218711 0.218711 0.579197 P\n0.639515 0.420803 0.639515 P\n0.420804 0.639515 0.639515 P\n0.000000 0.360486 0.781289 P\n0.360486 -0.000000 0.781289 P\n0.781289 -0.000000 0.360486 P\n0.218712 0.579197 0.218712 P\n0.781289 0.360486 0.000001 P\n0.000000 0.781289 0.360486 P\n0.000000 0.000000 0.566037 P\n0.360486 0.781289 0.000001 P\n0.639515 0.639515 0.420804 P\n0.579197 0.218711 0.218712 P\n0.000000 0.000000 0.000000 P\n0.500001 0.750000 0.250001 Pd\n0.250001 0.750000 0.500001 Pd\n0.750000 0.250000 0.500001 Pd\n0.250000 0.500000 0.750001 Pd\n0.750001 0.500000 0.250001 Pd\n0.500000 0.250000 0.750001 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"La",
"P",
"Pd"
],
"chemical_system": "La-P-Pd",
"density": 5.72782307110192,
"density_atomic": 0.050053317809753646,
"volume": 579.3821722313263,
"volume_molar": 12.031451706936588,
"formula_full": "La6 P17 Pd6",
"formula_reduced": "La6P17Pd6",
"formula_anonymous": "A6B6C17",
"energy_above_hull": 3.15335405862069,
"spacegroup": 217
},
{
"id": "jvasp-108709",
"created_at": "2022-09-04T14:38:20.532787Z",
"updated_at": "2022-09-04T14:38:20.532803Z",
"structure_string": "La1 P2 Pd2\n1.0\n3.940294 -0.012311 -4.294480\n-0.605993 3.893435 -4.294480\n0.010577 0.012311 5.828238\nLa P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.386325 0.386325 0.000000 P\n0.613675 0.613676 0.000001 P\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750001 0.500001 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"P",
"Pd"
],
"chemical_system": "La-P-Pd",
"density": 7.650930108838515,
"density_atomic": 0.055687404360865465,
"volume": 89.78691065575627,
"volume_molar": 10.814188287490165,
"formula_full": "La1 P2 Pd2",
"formula_reduced": "La(PPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1756954800000003,
"spacegroup": 139
},
{
"id": "jvasp-109284",
"created_at": "2022-09-04T14:37:56.328378Z",
"updated_at": "2022-09-04T14:37:56.328399Z",
"structure_string": "La1 Pm1 Zn2\n1.0\n4.528925 -0.000000 2.614776\n1.509642 4.269911 2.614776\n-0.000000 -0.000000 5.229552\nLa Pm Zn\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Pm\n0.749999 0.750000 0.750002 Zn\n0.250000 0.250000 0.250001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Zn"
],
"chemical_system": "La-Pm-Zn",
"density": 6.809720291888803,
"density_atomic": 0.039553193503280175,
"volume": 101.12963444198955,
"volume_molar": 15.225422340425128,
"formula_full": "La1 Pm1 Zn2",
"formula_reduced": "LaPmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109980",
"created_at": "2022-09-04T14:38:18.754400Z",
"updated_at": "2022-09-04T14:38:18.754427Z",
"structure_string": "La1 Pm1 Tl2\n1.0\n4.800022 -0.000000 2.771294\n1.600007 4.525504 2.771294\n-0.000000 -0.000000 5.542588\nLa Pm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n0.750000 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Tl"
],
"chemical_system": "La-Pm-Tl",
"density": 9.553312750421425,
"density_atomic": 0.03322287507693052,
"volume": 120.39897181498122,
"volume_molar": 18.12648889072724,
"formula_full": "La1 Pm1 Tl2",
"formula_reduced": "LaPmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4338953437499999,
"spacegroup": 225
},
{
"id": "jvasp-109976",
"created_at": "2022-09-04T14:38:07.994422Z",
"updated_at": "2022-09-04T14:38:07.994447Z",
"structure_string": "La1 Pm1 Ru2\n1.0\n4.309964 -0.000000 2.488359\n1.436655 4.063473 2.488359\n-0.000000 -0.000000 4.976718\nLa Pm Ru\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250001 Ru\n0.749999 0.749999 0.750002 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Ru"
],
"chemical_system": "La-Pm-Ru",
"density": 9.260020403405193,
"density_atomic": 0.045892946048071835,
"volume": 87.15936422582436,
"volume_molar": 13.122148998000569,
"formula_full": "La1 Pm1 Ru2",
"formula_reduced": "LaPmRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.07010429375,
"spacegroup": 225
},
{
"id": "jvasp-119620",
"created_at": "2022-09-04T14:38:51.961663Z",
"updated_at": "2022-09-04T14:38:51.961703Z",
"structure_string": "La6 Zn4 Pd13\n1.0\n7.970200 -0.000000 -2.817891\n-3.985100 6.902396 -2.817891\n-0.000000 -0.000000 8.453674\nLa Zn Pd\n6 4 13\ndirect\n0.695905 0.695905 0.000000 La\n0.304095 0.000000 0.304095 La\n0.000000 0.304096 0.304095 La\n0.304096 0.304096 0.000000 La\n0.695905 0.000000 0.695904 La\n0.000000 0.695905 0.695905 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.671295 0.342589 0.671295 Pd\n0.671295 0.671296 0.342590 Pd\n0.657411 0.328705 0.328705 Pd\n0.328705 0.000000 0.671295 Pd\n0.328705 0.671296 0.000000 Pd\n0.671295 0.000000 0.328705 Pd\n0.328705 0.657411 0.328705 Pd\n0.671295 0.328705 0.000000 Pd\n0.000000 0.671296 0.328705 Pd\n0.342589 0.671296 0.671295 Pd\n0.328705 0.328705 0.657411 Pd\n0.000000 0.328705 0.671295 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 23,
"nelements": 3,
"elements": [
"La",
"Zn",
"Pd"
],
"chemical_system": "La-Pd-Zn",
"density": 8.849698670367383,
"density_atomic": 0.0494553464657294,
"volume": 465.0659967762655,
"volume_molar": 12.17692563163642,
"formula_full": "La6 Zn4 Pd13",
"formula_reduced": "La6Zn4Pd13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 1.4377124217391306,
"spacegroup": 229
},
{
"id": "jvasp-104853",
"created_at": "2022-09-04T14:36:52.317694Z",
"updated_at": "2022-09-04T14:36:52.317703Z",
"structure_string": "Yb1 La1 Pd2\n1.0\n4.368375 -0.000000 2.522082\n1.456125 4.118543 2.522082\n-0.000000 -0.000000 5.044165\nYb La Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Pd\n0.749999 0.749999 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"La",
"Pd"
],
"chemical_system": "La-Pd-Yb",
"density": 9.60236250943979,
"density_atomic": 0.0440765089630831,
"volume": 90.7512889314863,
"volume_molar": 13.662925902421014,
"formula_full": "Yb1 La1 Pd2",
"formula_reduced": "LaYbPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8718992750000001,
"spacegroup": 225
},
{
"id": "jvasp-97323",
"created_at": "2022-09-04T14:35:54.970548Z",
"updated_at": "2022-09-04T14:35:54.970584Z",
"structure_string": "La3 Sn3 Pd3\n1.0\n7.731281 -0.000000 -0.000000\n-3.865640 6.695486 0.000000\n0.000000 -0.000000 4.212202\nLa Sn Pd\n3 3 3\ndirect\n0.000000 0.586466 0.000000 La\n0.413535 0.413535 0.000000 La\n0.586465 0.000000 0.000000 La\n0.751010 0.751010 0.500000 Sn\n0.000000 0.248991 0.500000 Sn\n0.248991 0.000000 0.500000 Sn\n0.666667 0.333334 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.333334 0.666667 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"La",
"Sn",
"Pd"
],
"chemical_system": "La-Pd-Sn",
"density": 8.317088045151522,
"density_atomic": 0.041276204435675944,
"volume": 218.04330420025488,
"volume_molar": 14.589860774104823,
"formula_full": "La3 Sn3 Pd3",
"formula_reduced": "LaSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8437641333333334,
"spacegroup": 189
},
{
"id": "jvasp-85189",
"created_at": "2022-09-04T14:37:09.610545Z",
"updated_at": "2022-09-04T14:37:09.610568Z",
"structure_string": "La2 Sb2 Pd2\n1.0\n4.646079 0.000000 0.000000\n-2.323040 4.023487 -0.000000\n0.000000 -0.000000 8.205245\nLa Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333336 0.666672 0.750000 Sb\n0.666665 0.333329 0.250000 Sb\n0.333321 0.666643 0.250000 Pd\n0.666680 0.333358 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sb",
"Pd"
],
"chemical_system": "La-Pd-Sb",
"density": 7.948140617777086,
"density_atomic": 0.039117447168694544,
"volume": 153.38424243598809,
"volume_molar": 15.39502497192476,
"formula_full": "La2 Sb2 Pd2",
"formula_reduced": "LaSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1457289333333336,
"spacegroup": 194
},
{
"id": "jvasp-20815",
"created_at": "2022-09-04T14:37:49.841714Z",
"updated_at": "2022-09-04T14:37:49.841740Z",
"structure_string": "La2 Pd6 S8\n1.0\n6.790123 -0.000000 0.000000\n0.000000 6.790123 -0.000000\n0.000000 -0.000000 6.790123\nLa Pd S\n2 6 8\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.750000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.000000 0.500000 0.750000 Pd\n0.000000 0.500000 0.250000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 S\n0.250000 0.250000 0.750000 S\n0.250000 0.750000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.750000 0.250000 S\n0.250000 0.250000 0.250000 S\n0.750000 0.250000 0.750000 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Pd",
"S"
],
"chemical_system": "La-Pd-S",
"density": 6.2209826987744705,
"density_atomic": 0.051107784920039256,
"volume": 313.06385172107963,
"volume_molar": 11.783216137075687,
"formula_full": "La2 Pd6 S8",
"formula_reduced": "LaPd3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9735327625,
"spacegroup": 223
}
]
}