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=-formula_full&page=3885",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=3883",
"results": [
{
"id": "jvasp-100424",
"created_at": "2022-09-04T14:36:44.055724Z",
"updated_at": "2022-09-04T14:36:44.055755Z",
"structure_string": "Ca1 Bi1 N1 O5\n1.0\n4.282101 0.016253 -6.511296\n-0.285214 3.588135 -6.912133\n0.022894 -0.016253 7.793129\nCa Bi N O\n1 1 1 5\ndirect\n0.827976 0.827974 -0.000001 Ca\n0.183237 0.183237 -0.000000 Bi\n0.503975 0.503974 -0.000001 N\n0.268861 0.768860 0.500000 O\n0.738957 0.238957 0.499999 O\n0.789127 0.546488 0.242637 O\n0.303851 0.546489 0.757361 O\n0.415018 0.415017 -0.000001 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"N",
"O"
],
"chemical_system": "Bi-Ca-N-O",
"density": 4.755289050867842,
"density_atomic": 0.06677979299656658,
"volume": 119.79671755513395,
"volume_molar": 9.017908696287247,
"formula_full": "Ca1 Bi1 N1 O5",
"formula_reduced": "CaBiNO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.40286318375,
"spacegroup": 44
},
{
"id": "jvasp-8281",
"created_at": "2022-09-04T14:37:03.885709Z",
"updated_at": "2022-09-04T14:37:03.885735Z",
"structure_string": "Ca1 Bi1 F6\n1.0\n5.049288 0.228447 3.581086\n1.972686 4.653601 3.581085\n0.328583 0.228447 6.181546\nCa Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Bi\n0.401802 0.085677 0.754582 F\n0.085677 0.754581 0.401803 F\n0.245419 0.598198 0.914324 F\n0.914323 0.245420 0.598199 F\n0.598199 0.914324 0.245420 F\n0.754582 0.401802 0.085677 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"F"
],
"chemical_system": "Bi-Ca-F",
"density": 4.474209099235695,
"density_atomic": 0.05937342984109954,
"volume": 134.74040528583765,
"volume_molar": 10.14282108363453,
"formula_full": "Ca1 Bi1 F6",
"formula_reduced": "CaBiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-51291",
"created_at": "2022-09-04T14:37:04.631973Z",
"updated_at": "2022-09-04T14:37:04.631991Z",
"structure_string": "Ca1 Bi1 B1\n1.0\n0.000000 3.438334 3.438334\n3.438334 0.000000 3.438334\n3.438334 3.438334 0.000000\nCa Bi B\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.499999 0.499999 0.499999 Bi\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"B"
],
"chemical_system": "B-Bi-Ca",
"density": 5.307989561403406,
"density_atomic": 0.036901759463517314,
"volume": 81.29693661262766,
"volume_molar": 16.319386521268044,
"formula_full": "Ca1 Bi1 B1",
"formula_reduced": "CaBiB",
"formula_anonymous": "ABC",
"energy_above_hull": 1.730775767777778,
"spacegroup": 216
},
{
"id": "jvasp-100779",
"created_at": "2022-09-04T14:36:41.545379Z",
"updated_at": "2022-09-04T14:36:41.545398Z",
"structure_string": "Ca1 Bi1 Au4\n1.0\n4.922492 -0.000000 2.842002\n1.640831 4.640970 2.842002\n-0.000000 -0.000000 5.684004\nCa Bi Au\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Bi\n0.624534 0.624534 0.624533 Au\n0.624534 0.624534 0.126399 Au\n0.624534 0.126399 0.624533 Au\n0.126399 0.624534 0.624533 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Ca",
"density": 13.260141306372793,
"density_atomic": 0.04620650235469749,
"volume": 129.85185405166297,
"volume_molar": 13.033102384101515,
"formula_full": "Ca1 Bi1 Au4",
"formula_reduced": "CaBiAu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3682914408333333,
"spacegroup": 216
},
{
"id": "jvasp-56075",
"created_at": "2022-09-04T14:37:27.806952Z",
"updated_at": "2022-09-04T14:37:27.806982Z",
"structure_string": "Ca1 Bi1 Au1\n1.0\n4.252195 -0.000000 2.455005\n1.417399 4.009007 2.455005\n0.000000 0.000000 4.910011\nCa Bi Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500000 0.499999 Bi\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Ca",
"density": 8.848625544622422,
"density_atomic": 0.035841716686939314,
"volume": 83.70134796286689,
"volume_molar": 16.802043307804123,
"formula_full": "Ca1 Bi1 Au1",
"formula_reduced": "CaBiAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0833719783333334,
"spacegroup": 216
},
{
"id": "jvasp-71373",
"created_at": "2022-09-04T14:36:07.606015Z",
"updated_at": "2022-09-04T14:36:07.606044Z",
"structure_string": "Ca1 Be2 V1\n1.0\n3.116354 0.000000 0.000000\n0.000000 3.116354 0.000000\n-0.000000 0.000000 6.274628\nCa Be V\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ca\n0.000000 0.000000 0.670735 Be\n0.000000 0.000000 0.329265 Be\n0.499999 0.499999 0.500000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"V"
],
"chemical_system": "Be-Ca-V",
"density": 2.9714523914835844,
"density_atomic": 0.06564149109513115,
"volume": 60.93706790119966,
"volume_molar": 9.174290010067555,
"formula_full": "Ca1 Be2 V1",
"formula_reduced": "CaBe2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.959539205,
"spacegroup": 123
},
{
"id": "jvasp-68463",
"created_at": "2022-09-04T14:36:05.075958Z",
"updated_at": "2022-09-04T14:36:05.075988Z",
"structure_string": "Ca1 Be2 Tl1\n1.0\n3.515810 0.000000 -0.000000\n-0.000000 3.515810 -0.000000\n0.000000 0.000000 6.447176\nCa Be Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.686406 Be\n0.000000 0.000000 0.313595 Be\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tl"
],
"chemical_system": "Be-Ca-Tl",
"density": 5.469332998790107,
"density_atomic": 0.05019259747977595,
"volume": 79.69302647888897,
"volume_molar": 11.998065576156913,
"formula_full": "Ca1 Be2 Tl1",
"formula_reduced": "CaBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7693313049999999,
"spacegroup": 123
},
{
"id": "jvasp-70314",
"created_at": "2022-09-04T14:35:55.075387Z",
"updated_at": "2022-09-04T14:35:55.075412Z",
"structure_string": "Ca1 Be2 Tl1\n1.0\n3.163564 0.000000 0.000000\n0.000000 3.163564 0.000000\n0.000000 0.000000 7.275581\nCa Be Tl\n1 2 1\ndirect\n0.000000 0.000000 0.539072 Ca\n0.000000 0.000000 0.931015 Be\n0.499999 0.499999 0.828442 Be\n0.499999 0.499999 0.201471 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tl"
],
"chemical_system": "Be-Ca-Tl",
"density": 5.985959257137086,
"density_atomic": 0.054933726578777396,
"volume": 72.81501272745119,
"volume_molar": 10.962556402147564,
"formula_full": "Ca1 Be2 Tl1",
"formula_reduced": "CaBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.726836305,
"spacegroup": 99
},
{
"id": "jvasp-71140",
"created_at": "2022-09-04T14:35:57.220457Z",
"updated_at": "2022-09-04T14:35:57.220486Z",
"structure_string": "Ca1 Be2 Tc1\n1.0\n2.998272 -3.415573 0.000000\n2.998272 3.415573 0.000000\n0.000000 0.000000 2.716700\nCa Be Tc\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tc"
],
"chemical_system": "Be-Ca-Tc",
"density": 4.658566488296397,
"density_atomic": 0.07188755486633076,
"volume": 55.64245448934359,
"volume_molar": 8.377167329168026,
"formula_full": "Ca1 Be2 Tc1",
"formula_reduced": "CaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.27836103,
"spacegroup": 65
},
{
"id": "jvasp-71415",
"created_at": "2022-09-04T14:36:14.984967Z",
"updated_at": "2022-09-04T14:36:14.984996Z",
"structure_string": "Ca1 Be2 Tc1\n1.0\n3.124723 -0.000000 -0.000000\n0.000000 3.124723 0.000000\n0.000000 -0.000000 6.048744\nCa Be Tc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.667174 Be\n0.000000 0.000000 0.332826 Be\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tc"
],
"chemical_system": "Be-Ca-Tc",
"density": 4.38904794439523,
"density_atomic": 0.06772854390000366,
"volume": 59.05929420106408,
"volume_molar": 8.89158457162649,
"formula_full": "Ca1 Be2 Tc1",
"formula_reduced": "CaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1881485300000003,
"spacegroup": 123
},
{
"id": "jvasp-71308",
"created_at": "2022-09-04T14:36:16.493526Z",
"updated_at": "2022-09-04T14:36:16.493555Z",
"structure_string": "Ca1 Be2 Tc1\n1.0\n3.124958 -0.000000 -0.000000\n-0.000000 3.124958 -0.000000\n0.000000 -0.000000 6.048276\nCa Be Tc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.667175 Be\n0.000000 0.000000 0.332826 Be\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tc"
],
"chemical_system": "Be-Ca-Tc",
"density": 4.388727409668434,
"density_atomic": 0.06772359764500935,
"volume": 59.063607650719156,
"volume_molar": 8.892233976651093,
"formula_full": "Ca1 Be2 Tc1",
"formula_reduced": "CaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1881485300000003,
"spacegroup": 123
},
{
"id": "jvasp-71233",
"created_at": "2022-09-04T14:35:57.119709Z",
"updated_at": "2022-09-04T14:35:57.119732Z",
"structure_string": "Ca1 Be2 Sn1\n1.0\n3.505446 -0.000000 -0.000000\n-0.000000 3.505446 -0.000000\n-0.000000 -0.000000 6.348637\nCa Be Sn\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Ca\n0.000000 0.000000 0.679407 Be\n0.000000 0.000000 0.320594 Be\n0.500001 0.500001 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Sn"
],
"chemical_system": "Be-Ca-Sn",
"density": 3.7635238245415836,
"density_atomic": 0.05127349631010038,
"volume": 78.0130142834055,
"volume_molar": 11.745133828163961,
"formula_full": "Ca1 Be2 Sn1",
"formula_reduced": "CaBe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.99061358,
"spacegroup": 123
}
]
}