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=nsites&page=839",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=837",
"results": [
{
"id": "jvasp-74305",
"created_at": "2022-09-04T14:36:08.573889Z",
"updated_at": "2022-09-04T14:36:08.573905Z",
"structure_string": "Be2 Nb1 Mo1\n1.0\n2.714513 0.000000 -0.000000\n-0.000000 2.714513 0.000000\n0.000000 0.000000 7.023704\nBe Nb Mo\n2 1 1\ndirect\n0.000000 0.000000 0.758594 Be\n0.000000 0.000000 0.241406 Be\n0.499999 0.499999 0.500000 Nb\n0.499999 0.499999 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Mo"
],
"chemical_system": "Be-Mo-Nb",
"density": 6.637401991398906,
"density_atomic": 0.07728762088605776,
"volume": 51.754730630110224,
"volume_molar": 7.791856821260182,
"formula_full": "Be2 Nb1 Mo1",
"formula_reduced": "Be2NbMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.796669375,
"spacegroup": 123
},
{
"id": "jvasp-102290",
"created_at": "2022-09-04T14:36:39.332558Z",
"updated_at": "2022-09-04T14:36:39.332582Z",
"structure_string": "Sc1 Au3\n1.0\n4.082757 -0.000000 2.357181\n1.360919 3.849260 2.357181\n-0.000000 -0.000000 4.714361\nSc Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Au\n0.750001 0.750000 0.749999 Au\n0.500001 0.500000 0.499999 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Au"
],
"chemical_system": "Au-Sc",
"density": 14.251284064830708,
"density_atomic": 0.053989135970072585,
"volume": 74.08897972024023,
"volume_molar": 11.154356616001802,
"formula_full": "Sc1 Au3",
"formula_reduced": "ScAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8094244899999999,
"spacegroup": 225
},
{
"id": "jvasp-75641",
"created_at": "2022-09-04T14:36:20.095738Z",
"updated_at": "2022-09-04T14:36:20.095761Z",
"structure_string": "Li2 As1 Au1\n1.0\n0.000000 3.152935 3.152935\n3.152935 0.000000 3.152935\n3.152935 3.152935 -0.000000\nLi As Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"As",
"Au"
],
"chemical_system": "As-Au-Li",
"density": 7.5699139161875,
"density_atomic": 0.06380944143979968,
"volume": 62.68664808441799,
"volume_molar": 9.437695463423736,
"formula_full": "Li2 As1 Au1",
"formula_reduced": "Li2AsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8926373299999999,
"spacegroup": 216
},
{
"id": "jvasp-99470",
"created_at": "2022-09-04T14:36:39.441156Z",
"updated_at": "2022-09-04T14:36:39.441177Z",
"structure_string": "Hf2 Cu1 Rh1\n1.0\n3.978498 -0.000000 2.296987\n1.326166 3.750964 2.296987\n-0.000000 -0.000000 4.593974\nHf Cu Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.749999 0.750000 Hf\n0.500001 0.499999 0.500000 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Rh"
],
"chemical_system": "Cu-Hf-Rh",
"density": 12.678222792018328,
"density_atomic": 0.05834577572542693,
"volume": 68.55680553162671,
"volume_molar": 10.321468324185066,
"formula_full": "Hf2 Cu1 Rh1",
"formula_reduced": "Hf2CuRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2295323625,
"spacegroup": 225
},
{
"id": "jvasp-51111",
"created_at": "2022-09-04T14:36:39.319825Z",
"updated_at": "2022-09-04T14:36:39.319844Z",
"structure_string": "K1 Nb2 Se1\n1.0\n-0.000000 3.382780 3.382780\n3.382780 -0.000000 3.382780\n3.382780 3.382780 -0.000000\nK Nb Se\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.250000 Nb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Nb",
"Se"
],
"chemical_system": "K-Nb-Se",
"density": 6.517592144660163,
"density_atomic": 0.05166646317023765,
"volume": 77.4196597669219,
"volume_molar": 11.655802217692809,
"formula_full": "K1 Nb2 Se1",
"formula_reduced": "KNb2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1484575416666667,
"spacegroup": 225
},
{
"id": "jvasp-100753",
"created_at": "2022-09-04T14:36:39.435263Z",
"updated_at": "2022-09-04T14:36:39.435272Z",
"structure_string": "Sc2 Co1 Cu1\n1.0\n3.881159 -0.000000 2.240788\n1.293720 3.659192 2.240788\n-0.000000 -0.000000 4.481577\nSc Co Cu\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Sc",
"density": 5.541250081669022,
"density_atomic": 0.06284670255234169,
"volume": 63.64693512230991,
"volume_molar": 9.582270056228452,
"formula_full": "Sc2 Co1 Cu1",
"formula_reduced": "Sc2CoCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9209604625000003,
"spacegroup": 225
},
{
"id": "jvasp-49752",
"created_at": "2022-09-04T14:36:39.319099Z",
"updated_at": "2022-09-04T14:36:39.319126Z",
"structure_string": "Sr2 O2\n1.0\n1.779210 -3.081683 0.000000\n1.779210 3.081683 0.000000\n0.000000 -0.000000 6.227184\nSr O\n2 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 5.039451836029039,
"density_atomic": 0.05857646023871018,
"volume": 68.28681664442067,
"volume_molar": 10.280820547125304,
"formula_full": "Sr2 O2",
"formula_reduced": "SrO",
"formula_anonymous": "AB",
"energy_above_hull": 0.046075,
"spacegroup": 194
},
{
"id": "jvasp-100202",
"created_at": "2022-09-04T14:36:39.274484Z",
"updated_at": "2022-09-04T14:36:39.274509Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n3.722075 -0.000000 2.148941\n1.240692 3.509206 2.148941\n0.000000 0.000000 4.297882\nMg V Ru\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.249999 0.250000 0.250000 Ru\n0.749998 0.750001 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 8.20513909059189,
"density_atomic": 0.0712543726187088,
"volume": 56.13690575039525,
"volume_molar": 8.45160870649334,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0738485625000003,
"spacegroup": 225
},
{
"id": "jvasp-71643",
"created_at": "2022-09-04T14:36:20.144431Z",
"updated_at": "2022-09-04T14:36:20.144453Z",
"structure_string": "Ta1 Be1 P2\n1.0\n-1.764299 1.764299 4.501295\n1.764299 -1.764299 4.501295\n1.764299 1.764299 -4.501295\nTa Be P\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ta\n0.750001 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 P\n0.250000 0.750001 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"P"
],
"chemical_system": "Be-P-Ta",
"density": 7.463602478466471,
"density_atomic": 0.07137040282310932,
"volume": 56.045641355198065,
"volume_molar": 8.437868530636997,
"formula_full": "Ta1 Be1 P2",
"formula_reduced": "TaBeP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6342090749999993,
"spacegroup": 119
},
{
"id": "jvasp-69364",
"created_at": "2022-09-04T14:36:20.146576Z",
"updated_at": "2022-09-04T14:36:20.146609Z",
"structure_string": "Ba1 Co2 Cl1\n1.0\n4.401996 -0.000000 0.000000\n-0.000000 4.448900 0.000000\n0.000000 0.000000 6.006965\nBa Co Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.826987 Co\n0.000000 0.000000 0.173012 Co\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Cl"
],
"chemical_system": "Ba-Cl-Co",
"density": 4.102576060511516,
"density_atomic": 0.03400185431313231,
"volume": 117.64064286503064,
"volume_molar": 17.711212760752606,
"formula_full": "Ba1 Co2 Cl1",
"formula_reduced": "BaCo2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6829329593750002,
"spacegroup": 123
},
{
"id": "jvasp-68283",
"created_at": "2022-09-04T14:36:20.147574Z",
"updated_at": "2022-09-04T14:36:20.147600Z",
"structure_string": "Be1 Hg1 Ru2\n1.0\n-1.964688 1.964688 3.741262\n1.964688 -1.964688 3.741262\n1.964688 1.964688 -3.741262\nBe Hg Ru\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500001 Hg\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Ru"
],
"chemical_system": "Be-Hg-Ru",
"density": 11.836114557611591,
"density_atomic": 0.06924600010212659,
"volume": 57.76506937730195,
"volume_molar": 8.696734470031947,
"formula_full": "Be1 Hg1 Ru2",
"formula_reduced": "BeHgRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.425347925,
"spacegroup": 119
},
{
"id": "jvasp-70880",
"created_at": "2022-09-04T14:36:20.161193Z",
"updated_at": "2022-09-04T14:36:20.161213Z",
"structure_string": "Li2 Be1 Ge1\n1.0\n3.049617 0.000000 -0.000000\n-0.000000 3.049617 -0.000000\n-0.000000 0.000000 5.984983\nLi Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.994513 Li\n0.500001 0.500001 0.277071 Li\n0.000000 0.000000 0.502710 Be\n0.500001 0.500001 0.725705 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Li",
"density": 2.8500623813003316,
"density_atomic": 0.07186318648084607,
"volume": 55.661322519648266,
"volume_molar": 8.380007977526994,
"formula_full": "Li2 Be1 Ge1",
"formula_reduced": "Li2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0137155125,
"spacegroup": 99
}
]
}