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=updated_at&page=26",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=24",
"results": [
{
"id": "jvasp-74572",
"created_at": "2022-09-04T14:35:41.513727Z",
"updated_at": "2022-09-04T14:35:41.513759Z",
"structure_string": "Zr1 Be2 Sn1\n1.0\n3.281509 0.000000 0.000000\n-0.000000 3.281509 0.000000\n-0.000000 -0.000000 6.070460\nZr Be Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.774916 Be\n0.000000 0.000000 0.225084 Be\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Sn"
],
"chemical_system": "Be-Sn-Zr",
"density": 5.79076349273589,
"density_atomic": 0.06119151280305918,
"volume": 65.36854241328751,
"volume_molar": 9.84146409222119,
"formula_full": "Zr1 Be2 Sn1",
"formula_reduced": "ZrBe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1587396,
"spacegroup": 123
},
{
"id": "jvasp-74313",
"created_at": "2022-09-04T14:35:41.514456Z",
"updated_at": "2022-09-04T14:35:41.514486Z",
"structure_string": "Na2 Be1 Pb1\n1.0\n-2.458609 2.458609 3.477311\n2.458609 -2.458609 3.477311\n2.458609 2.458609 -3.477311\nNa Be Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Pb"
],
"chemical_system": "Be-Na-Pb",
"density": 5.178280968284382,
"density_atomic": 0.04757486137244833,
"volume": 84.07801693178426,
"volume_molar": 12.658241319621705,
"formula_full": "Na2 Be1 Pb1",
"formula_reduced": "Na2BePb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.21490623,
"spacegroup": 216
},
{
"id": "jvasp-31809",
"created_at": "2022-09-04T14:35:41.521665Z",
"updated_at": "2022-09-04T14:35:41.521682Z",
"structure_string": "Co1 Si1 H12 O6 F6\n1.0\n6.184532 -0.025242 -0.667587\n-0.740832 6.140053 -0.667587\n-0.022471 -0.025242 6.220419\nCo Si H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Si\n0.583756 0.810684 0.936693 H\n0.936693 0.583756 0.810682 H\n0.810683 0.936694 0.583755 H\n0.063307 0.416245 0.189317 H\n0.189319 0.063308 0.416244 H\n0.313834 0.221824 0.821316 H\n0.178686 0.686166 0.778176 H\n0.778177 0.178686 0.686166 H\n0.686167 0.778177 0.178684 H\n0.821316 0.313833 0.221822 H\n0.221824 0.821316 0.313834 H\n0.416245 0.189318 0.063306 H\n0.308694 0.126763 0.937692 O\n0.062308 0.691306 0.873238 O\n0.691307 0.873238 0.062307 O\n0.937693 0.308694 0.126762 O\n0.873238 0.062308 0.691306 O\n0.126763 0.937693 0.308693 O\n0.712757 0.668933 0.431027 F\n0.668934 0.431029 0.712757 F\n0.431028 0.712756 0.668932 F\n0.287244 0.331068 0.568972 F\n0.568971 0.287243 0.331066 F\n0.331067 0.568972 0.287243 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Co",
"Si",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-Si",
"density": 2.1759530144707826,
"density_atomic": 0.11022335929192598,
"volume": 235.88466335107006,
"volume_molar": 5.463579407020605,
"formula_full": "Co1 Si1 H12 O6 F6",
"formula_reduced": "CoSiH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy_above_hull": 2.443643161346154,
"spacegroup": 148
},
{
"id": "jvasp-16120",
"created_at": "2022-09-04T14:35:41.523025Z",
"updated_at": "2022-09-04T14:35:41.523056Z",
"structure_string": "Ca3 Au1 N1\n1.0\n4.800759 0.000000 0.000000\n0.000000 4.800759 -0.000000\n0.000000 0.000000 4.800759\nCa Au N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Au",
"N"
],
"chemical_system": "Au-Ca-N",
"density": 4.970719345010071,
"density_atomic": 0.04518978655696462,
"volume": 110.64447037600365,
"volume_molar": 13.326331498398881,
"formula_full": "Ca3 Au1 N1",
"formula_reduced": "Ca3AuN",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.724852416,
"spacegroup": 221
},
{
"id": "jvasp-92184",
"created_at": "2022-09-04T14:35:41.525428Z",
"updated_at": "2022-09-04T14:35:41.525456Z",
"structure_string": "Ba3 Sn1 S4\n1.0\n6.304837 0.000000 -0.000000\n0.000000 6.304837 -0.000000\n0.000000 0.000000 6.304837\nBa Sn S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"S"
],
"chemical_system": "Ba-S-Sn",
"density": 4.365968815260486,
"density_atomic": 0.031920405333149444,
"volume": 250.6233838983233,
"volume_molar": 18.866116194790255,
"formula_full": "Ba3 Sn1 S4",
"formula_reduced": "Ba3SnS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.83168870125,
"spacegroup": 221
},
{
"id": "jvasp-15006",
"created_at": "2022-09-04T14:35:41.525659Z",
"updated_at": "2022-09-04T14:35:41.525684Z",
"structure_string": "Cr2 Sb4\n1.0\n5.246895 0.004454 -1.540834\n-2.939035 4.346493 -1.540834\n-0.002362 -0.004454 5.468462\nCr Sb\n2 4\ndirect\n0.250000 0.250000 0.000000 Cr\n0.749999 0.749999 0.000001 Cr\n0.659364 0.159363 0.818727 Sb\n0.159363 0.340637 0.500000 Sb\n0.840637 0.659362 0.500001 Sb\n0.340636 0.840636 0.181274 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb",
"density": 7.869643622631056,
"density_atomic": 0.048111187488158756,
"volume": 124.71111841662055,
"volume_molar": 12.517131824031955,
"formula_full": "Cr2 Sb4",
"formula_reduced": "CrSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.437949866666667,
"spacegroup": 140
},
{
"id": "jvasp-15676",
"created_at": "2022-09-04T14:35:41.532693Z",
"updated_at": "2022-09-04T14:35:41.532724Z",
"structure_string": "Ce1 B2 Rh2 C1\n1.0\n3.629200 -0.000000 -1.286203\n-0.455835 3.600459 -1.286203\n0.006868 0.007792 5.782624\nCe B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.353432 0.353432 0.706865 B\n0.646567 0.646568 0.293135 B\n0.750000 0.250000 0.500000 Rh\n0.249999 0.750000 0.500000 Rh\n0.499999 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ce-Rh",
"density": 8.333310221556127,
"density_atomic": 0.07933039335045386,
"volume": 75.63305495655497,
"volume_molar": 7.591215050953163,
"formula_full": "Ce1 B2 Rh2 C1",
"formula_reduced": "CeB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.136002777777779,
"spacegroup": 139
},
{
"id": "jvasp-68145",
"created_at": "2022-09-04T14:35:41.535133Z",
"updated_at": "2022-09-04T14:35:41.535160Z",
"structure_string": "Hf1 Be1 Pd2\n1.0\n-1.919514 1.919514 4.113870\n1.919514 -1.919514 4.113870\n1.919514 1.919514 -4.113870\nHf Be Pd\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Hf\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Pd\n0.250000 0.749999 0.499999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Pd"
],
"chemical_system": "Be-Hf-Pd",
"density": 10.964461990055726,
"density_atomic": 0.0659730964693635,
"volume": 60.630775483723355,
"volume_molar": 9.128176608773478,
"formula_full": "Hf1 Be1 Pd2",
"formula_reduced": "HfBePd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.536950125,
"spacegroup": 119
},
{
"id": "jvasp-63419",
"created_at": "2022-09-04T14:35:41.539432Z",
"updated_at": "2022-09-04T14:35:41.539463Z",
"structure_string": "Pu4 B16 Mo4\n1.0\n3.658247 0.000000 0.000000\n0.000000 6.012767 0.000000\n0.000000 0.000000 11.636305\nPu B Mo\n4 16 4\ndirect\n0.000000 0.125800 0.849388 Pu\n0.000000 0.874201 0.150612 Pu\n0.000000 0.374201 0.349388 Pu\n0.000000 0.625800 0.650612 Pu\n0.500000 0.974426 0.692944 B\n0.500000 0.025575 0.307057 B\n0.500000 0.525575 0.192943 B\n0.500000 0.474426 0.807057 B\n0.500000 0.884949 0.547314 B\n0.500000 0.115052 0.452687 B\n0.500000 0.615052 0.047314 B\n0.500000 0.384948 0.952687 B\n0.500000 0.866353 0.967991 B\n0.500000 0.133648 0.032010 B\n0.500000 0.633648 0.467990 B\n0.500000 0.366352 0.532010 B\n0.500000 0.787450 0.813347 B\n0.500000 0.212550 0.186653 B\n0.500000 0.712551 0.313347 B\n0.500000 0.287450 0.686653 B\n0.000000 0.131467 0.585769 Mo\n0.000000 0.868534 0.414232 Mo\n0.000000 0.368534 0.085769 Mo\n0.000000 0.631467 0.914232 Mo\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pu",
"B",
"Mo"
],
"chemical_system": "B-Mo-Pu",
"density": 9.943836145596661,
"density_atomic": 0.09376672457699689,
"volume": 255.95433890081458,
"volume_molar": 6.422471070806038,
"formula_full": "Pu4 B16 Mo4",
"formula_reduced": "PuB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.792832705555556,
"spacegroup": 55
},
{
"id": "jvasp-74613",
"created_at": "2022-09-04T14:35:41.546499Z",
"updated_at": "2022-09-04T14:35:41.546532Z",
"structure_string": "Na1 Sr1 Be2\n1.0\n-2.443115 2.443115 3.454402\n2.443115 -2.443115 3.454402\n2.443115 2.443115 -3.454402\nNa Sr Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Na\n0.749999 0.250000 0.499999 Sr\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Be"
],
"chemical_system": "Be-Na-Sr",
"density": 2.5899097705800935,
"density_atomic": 0.04849972803275392,
"volume": 82.474689286889,
"volume_molar": 12.41685470057274,
"formula_full": "Na1 Sr1 Be2",
"formula_reduced": "NaSrBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.840755101875,
"spacegroup": 216
},
{
"id": "jvasp-64045",
"created_at": "2022-09-04T14:35:41.547795Z",
"updated_at": "2022-09-04T14:35:41.547820Z",
"structure_string": "Ba4 Ta1 Zn1\n1.0\n0.000000 4.936438 4.936438\n4.936438 0.000000 4.936438\n4.936438 4.936438 0.000000\nBa Ta Zn\n4 1 1\ndirect\n0.125837 0.624722 0.624722 Ba\n0.624722 0.624722 0.624722 Ba\n0.624722 0.125837 0.624722 Ba\n0.624722 0.624722 0.125837 Ba\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Zn"
],
"chemical_system": "Ba-Ta-Zn",
"density": 5.491718030491995,
"density_atomic": 0.02493906656175277,
"volume": 240.58639023810792,
"volume_molar": 24.147418449236262,
"formula_full": "Ba4 Ta1 Zn1",
"formula_reduced": "Ba4TaZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9527505799999996,
"spacegroup": 216
},
{
"id": "jvasp-70978",
"created_at": "2022-09-04T14:35:41.560892Z",
"updated_at": "2022-09-04T14:35:41.560914Z",
"structure_string": "Sc2 Be1 Ir1\n1.0\n3.037344 0.000000 0.000000\n0.000000 3.037344 -0.000000\n0.000000 0.000000 7.341559\nSc Be Ir\n2 1 1\ndirect\n0.000000 0.000000 0.942126 Sc\n0.499999 0.499999 0.306539 Sc\n0.000000 0.000000 0.557002 Be\n0.499999 0.499999 0.694334 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Sc",
"density": 7.137994671293217,
"density_atomic": 0.05905867986114293,
"volume": 67.72924842554363,
"volume_molar": 10.196876689690804,
"formula_full": "Sc2 Be1 Ir1",
"formula_reduced": "Sc2BeIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.800474425,
"spacegroup": 99
}
]
}