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_reduced&page=3467",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3465",
"results": [
{
"id": "jvasp-40519",
"created_at": "2022-09-04T14:37:48.602810Z",
"updated_at": "2022-09-04T14:37:48.602834Z",
"structure_string": "Sc1 Nb1 Tc2\n1.0\n-0.000006 3.204780 3.204782\n3.204775 0.000002 3.204774\n3.204774 3.204772 0.000002\nSc Nb Tc\n1 1 2\ndirect\n0.750001 0.749999 0.750001 Sc\n0.249999 0.250000 0.250000 Nb\n0.999999 -0.000002 0.999998 Tc\n0.499998 0.499999 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Nb",
"Tc"
],
"chemical_system": "Nb-Sc-Tc",
"density": 8.421573245958658,
"density_atomic": 0.06076265662890671,
"volume": 65.82990642474763,
"volume_molar": 9.910924067686466,
"formula_full": "Sc1 Nb1 Tc2",
"formula_reduced": "ScNbTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.676376912499999,
"spacegroup": 225
},
{
"id": "jvasp-118085",
"created_at": "2022-09-04T14:38:52.598032Z",
"updated_at": "2022-09-04T14:38:52.598048Z",
"structure_string": "Sc1 N1 Cl1\n1.0\n4.252439 0.000000 -0.000000\n-2.126220 3.682721 0.000000\n0.000000 0.000000 3.883592\nSc N Cl\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.333334 0.666667 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 2.5778188876921577,
"density_atomic": 0.04932655057354359,
"volume": 60.81917273998594,
"volume_molar": 12.208720638231673,
"formula_full": "Sc1 N1 Cl1",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3807175224999995,
"spacegroup": 187
},
{
"id": "jvasp-118087",
"created_at": "2022-09-04T14:38:50.504430Z",
"updated_at": "2022-09-04T14:38:50.504458Z",
"structure_string": "Sc1 N1 Cl1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSc N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.753561 Sc\n0.000000 0.000000 0.018786 N\n0.000000 0.000000 0.219585 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 1.0332120397559552,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Sc1 N1 Cl1",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.756087522499999,
"spacegroup": 99
},
{
"id": "jvasp-118091",
"created_at": "2022-09-04T14:38:52.416278Z",
"updated_at": "2022-09-04T14:38:52.416307Z",
"structure_string": "Sc2 N2 Cl2\n1.0\n3.483723 0.000000 0.000000\n0.000000 3.748705 0.000000\n0.000000 0.000000 8.617060\nSc N Cl\n2 2 2\ndirect\n0.499999 0.000000 0.136668 Sc\n0.000000 0.500000 0.863331 Sc\n0.000000 0.000000 0.983393 N\n0.499999 0.500000 0.016606 N\n0.499999 0.500000 0.651669 Cl\n0.000000 0.000000 0.348330 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 2.7863707823958213,
"density_atomic": 0.05331718995881024,
"volume": 112.53406274102689,
"volume_molar": 11.294932768685587,
"formula_full": "Sc2 N2 Cl2",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8553241891666656,
"spacegroup": 59
},
{
"id": "jvasp-118088",
"created_at": "2022-09-04T14:38:50.539214Z",
"updated_at": "2022-09-04T14:38:50.539235Z",
"structure_string": "Sc1 N1 Cl1\n1.0\n5.359273 -1.267222 0.000000\n-3.467545 4.290902 0.000000\n0.000000 0.000000 4.369231\nSc N Cl\n1 1 1\ndirect\n0.629702 0.702037 0.000000 Sc\n0.049810 0.280756 0.000000 N\n0.320488 0.017207 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 1.9289859268560297,
"density_atomic": 0.03691113535206613,
"volume": 81.27628617720296,
"volume_molar": 16.315241193638617,
"formula_full": "Sc1 N1 Cl1",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1546875224999997,
"spacegroup": 38
},
{
"id": "jvasp-118089",
"created_at": "2022-09-04T14:38:51.847961Z",
"updated_at": "2022-09-04T14:38:51.847988Z",
"structure_string": "Sc2 N2 Cl2\n1.0\n3.480116 -0.000000 0.000000\n-1.740058 3.013868 0.000000\n-0.000000 -0.000000 9.845621\nSc N Cl\n2 2 2\ndirect\n0.000000 0.000000 0.827025 Sc\n0.000000 0.000000 0.172974 Sc\n0.666667 0.333333 0.899075 N\n0.333333 0.666666 0.100925 N\n0.333333 0.666666 0.653128 Cl\n0.666667 0.333333 0.346872 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 3.036420006315043,
"density_atomic": 0.05810188051578304,
"volume": 103.2668813252978,
"volume_molar": 10.36479491978598,
"formula_full": "Sc2 N2 Cl2",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9056908558333328,
"spacegroup": 164
},
{
"id": "jvasp-118090",
"created_at": "2022-09-04T14:38:50.546986Z",
"updated_at": "2022-09-04T14:38:50.547013Z",
"structure_string": "Sc2 N2 Cl2\n1.0\n1.796615 1.037276 9.117538\n-1.796615 1.037276 9.117538\n-0.000000 -2.074552 9.117538\nSc N Cl\n2 2 2\ndirect\n0.115970 0.115970 0.115969 Sc\n0.884033 0.884033 0.884028 Sc\n0.196429 0.196429 0.196428 N\n0.803573 0.803573 0.803569 N\n0.387090 0.387090 0.387088 Cl\n0.612913 0.612913 0.612910 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 3.0757053102742478,
"density_atomic": 0.05885360459608707,
"volume": 101.94787628010323,
"volume_molar": 10.232407685697448,
"formula_full": "Sc2 N2 Cl2",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8507108558333325,
"spacegroup": 166
},
{
"id": "jvasp-118092",
"created_at": "2022-09-04T14:38:52.030524Z",
"updated_at": "2022-09-04T14:38:52.030543Z",
"structure_string": "Sc1 N1 Cl4\n1.0\n-3.926055 3.926055 2.197252\n3.926055 -3.926055 2.197252\n3.926055 3.926055 -2.197252\nSc N Cl\n1 1 4\ndirect\n-0.057527 -0.057527 -0.000000 Sc\n0.442475 0.442475 0.000000 N\n0.237238 0.050827 0.402990 Cl\n0.834248 0.237239 0.186411 Cl\n0.050827 0.647836 0.813588 Cl\n0.647836 0.834248 0.597009 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 2.460964077187226,
"density_atomic": 0.04428928120627089,
"volume": 135.47295951938963,
"volume_molar": 13.59728718999244,
"formula_full": "Sc1 N1 Cl4",
"formula_reduced": "ScNCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.444994128333333,
"spacegroup": 87
},
{
"id": "jvasp-16590",
"created_at": "2022-09-04T14:37:44.512121Z",
"updated_at": "2022-09-04T14:37:44.512151Z",
"structure_string": "Sc1 Ni1\n1.0\n3.151937 0.000000 0.000000\n0.000000 3.151937 -0.000000\n-0.000000 0.000000 3.151937\nSc Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Ni"
],
"chemical_system": "Ni-Sc",
"density": 5.496458282872072,
"density_atomic": 0.06387007271666661,
"volume": 31.31357011087462,
"volume_molar": 9.428736345290789,
"formula_full": "Sc1 Ni1",
"formula_reduced": "ScNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.921953825,
"spacegroup": 221
},
{
"id": "jvasp-19863",
"created_at": "2022-09-04T14:36:32.254075Z",
"updated_at": "2022-09-04T14:36:32.254101Z",
"structure_string": "Sc2 Ni4\n1.0\n4.221501 -0.000000 2.437285\n1.407167 3.980069 2.437285\n-0.000000 -0.000000 4.874569\nSc Ni\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.875000 0.875000 0.874998 Sc\n0.000000 0.500000 0.499999 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.500000 0.500000 0.499999 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Ni"
],
"chemical_system": "Ni-Sc",
"density": 6.582913825081693,
"density_atomic": 0.07325841706887062,
"volume": 81.90185155597027,
"volume_molar": 8.220407976244633,
"formula_full": "Sc2 Ni4",
"formula_reduced": "ScNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.19513335,
"spacegroup": 227
},
{
"id": "jvasp-15403",
"created_at": "2022-09-04T14:36:36.986031Z",
"updated_at": "2022-09-04T14:36:36.986050Z",
"structure_string": "Sc1 Ni2 Sn1\n1.0\n3.831426 0.000000 2.212075\n1.277142 3.612304 2.212075\n0.000000 0.000000 4.424150\nSc Ni Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250001 Ni\n0.750001 0.749999 0.750002 Ni\n0.500000 0.499999 0.500001 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sc-Sn",
"density": 7.621883398508753,
"density_atomic": 0.06532590185144907,
"volume": 61.23145470070952,
"volume_molar": 9.21861097868091,
"formula_full": "Sc1 Ni2 Sn1",
"formula_reduced": "ScNi2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1285854375,
"spacegroup": 225
},
{
"id": "jvasp-105249",
"created_at": "2022-09-04T14:36:57.725943Z",
"updated_at": "2022-09-04T14:36:57.725959Z",
"structure_string": "Sc2 Ni6\n1.0\n5.284783 -0.000000 0.000000\n-2.642391 4.576757 0.000000\n0.000000 -0.000000 4.198945\nSc Ni\n2 6\ndirect\n0.333333 0.666667 0.749999 Sc\n0.666666 0.333334 0.250000 Sc\n0.157226 0.314452 0.250000 Ni\n0.685549 0.842775 0.250000 Ni\n0.157226 0.842775 0.250000 Ni\n0.842774 0.685549 0.749999 Ni\n0.314451 0.157226 0.749999 Ni\n0.842774 0.157226 0.749999 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Ni"
],
"chemical_system": "Ni-Sc",
"density": 7.227983060682886,
"density_atomic": 0.07877071492710709,
"volume": 101.56058641086408,
"volume_molar": 7.645151837929584,
"formula_full": "Sc2 Ni6",
"formula_reduced": "ScNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3114231125000002,
"spacegroup": 194
}
]
}