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=nelements&page=922",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=920",
"results": [
{
"id": "jvasp-122890",
"created_at": "2022-09-04T14:38:52.678516Z",
"updated_at": "2022-09-04T14:38:52.678535Z",
"structure_string": "Sm3 Si1\n1.0\n1.903916 -3.297678 0.000000\n1.903916 3.297678 0.000000\n-0.000000 -0.000000 9.712564\nSm Si\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.193375 Sm\n0.666668 0.333334 0.806624 Sm\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Si"
],
"chemical_system": "Si-Sm",
"density": 6.524011515906576,
"density_atomic": 0.032797449467649606,
"volume": 121.96070319265151,
"volume_molar": 18.36161304536822,
"formula_full": "Sm3 Si1",
"formula_reduced": "Sm3Si",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-120219",
"created_at": "2022-09-04T14:38:52.681476Z",
"updated_at": "2022-09-04T14:38:52.681499Z",
"structure_string": "H1 Cl2\n1.0\n3.644531 0.000000 0.114280\n0.000000 2.640486 0.000000\n0.249253 0.000000 5.823836\nH Cl\n1 2\ndirect\n0.466746 0.000000 0.133325 H\n-0.312704 0.000000 -0.107895 Cl\n0.245957 0.000000 0.374570 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 2.1335889371108463,
"density_atomic": 0.053600621413736595,
"volume": 55.969500369097766,
"volume_molar": 11.235206982985957,
"formula_full": "H1 Cl2",
"formula_reduced": "HCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7884760449999999,
"spacegroup": 10
},
{
"id": "jvasp-123679",
"created_at": "2022-09-04T14:38:52.730505Z",
"updated_at": "2022-09-04T14:38:52.730531Z",
"structure_string": "Mg1 Se2\n1.0\n1.793342 -3.568046 -0.785312\n2.193349 3.798990 -0.000000\n-0.877633 0.506701 5.331486\nMg Se\n1 2\ndirect\n0.000000 0.333348 0.166667 Mg\n0.877341 0.771996 0.421616 Se\n0.122662 -0.105343 0.911719 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 4.058595677923711,
"density_atomic": 0.0402383336021358,
"volume": 74.55577136128629,
"volume_molar": 14.966178320268096,
"formula_full": "Mg1 Se2",
"formula_reduced": "MgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-120238",
"created_at": "2022-09-04T14:38:52.748642Z",
"updated_at": "2022-09-04T14:38:52.748656Z",
"structure_string": "H1 S1\n1.0\n3.233233 -0.000000 0.000000\n-1.616616 2.800062 -0.000000\n0.000000 -0.000000 2.495934\nH S\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.333331 0.666666 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 2.430435795204594,
"density_atomic": 0.0885099811019077,
"volume": 22.596321624984427,
"volume_molar": 6.803911474194407,
"formula_full": "H1 S1",
"formula_reduced": "HS",
"formula_anonymous": "AB",
"energy_above_hull": 1.7391949999999998,
"spacegroup": 187
},
{
"id": "jvasp-122070",
"created_at": "2022-09-04T14:38:52.754706Z",
"updated_at": "2022-09-04T14:38:52.754732Z",
"structure_string": "Hf8 Bi16\n1.0\n4.046022 -0.000000 0.000000\n0.000000 10.278639 0.000000\n0.000000 0.000000 15.738331\nHf Bi\n8 16\ndirect\n-0.000000 0.839674 0.494737 Hf\n-0.000000 0.160326 0.505263 Hf\n0.500000 0.660326 0.994737 Hf\n0.500000 0.339674 0.005263 Hf\n0.500000 0.523238 0.254288 Hf\n0.500000 0.476762 0.745712 Hf\n-0.000000 0.976762 0.754288 Hf\n-0.000000 0.023238 0.245712 Hf\n-0.000000 0.485259 0.892198 Bi\n-0.000000 0.514741 0.107802 Bi\n0.500000 0.236702 0.199731 Bi\n0.500000 0.763298 0.800269 Bi\n-0.000000 0.263298 0.699731 Bi\n-0.000000 0.736702 0.300269 Bi\n-0.000000 0.346613 0.351038 Bi\n-0.000000 0.125879 0.055819 Bi\n0.500000 0.153387 0.851038 Bi\n0.500000 0.846613 0.148962 Bi\n0.500000 0.985259 0.607802 Bi\n-0.000000 0.874121 0.944181 Bi\n0.500000 0.374121 0.555819 Bi\n0.500000 0.625879 0.444181 Bi\n-0.000000 0.653387 0.648962 Bi\n0.500000 0.014741 0.392198 Bi\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hf",
"Bi"
],
"chemical_system": "Bi-Hf",
"density": 12.105735529394913,
"density_atomic": 0.03666812588056356,
"volume": 654.5194068050673,
"volume_molar": 16.42336665804924,
"formula_full": "Hf8 Bi16",
"formula_reduced": "HfBi2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 58
},
{
"id": "jvasp-123657",
"created_at": "2022-09-04T14:38:54.358228Z",
"updated_at": "2022-09-04T14:38:54.358245Z",
"structure_string": "Cu1 Se2\n1.0\n2.186502 -3.371971 -0.301796\n1.826962 3.164390 -0.000000\n-0.357710 0.206524 4.794117\nCu Se\n1 2\ndirect\n-0.000000 0.333268 0.166667 Cu\n0.777418 0.722074 0.442650 Se\n0.222582 -0.055344 0.890683 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 5.9077985727492015,
"density_atomic": 0.04819375606068334,
"volume": 62.248727744368786,
"volume_molar": 12.49568668691687,
"formula_full": "Cu1 Se2",
"formula_reduced": "CuSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6721490611111112,
"spacegroup": 12
},
{
"id": "jvasp-121197",
"created_at": "2022-09-04T14:38:52.926550Z",
"updated_at": "2022-09-04T14:38:52.926566Z",
"structure_string": "Li1 Te2\n1.0\n6.158255 0.177748 -0.106649\n1.347385 -3.557746 0.707264\n-0.180163 3.264249 -4.396005\nLi Te\n1 2\ndirect\n0.925763 0.836445 0.890493 Li\n0.675030 0.088867 0.515913 Te\n0.175994 0.585054 0.265573 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Te"
],
"chemical_system": "Li-Te",
"density": 5.261874405253068,
"density_atomic": 0.03626416509530277,
"volume": 82.72629445944655,
"volume_molar": 16.606312992933177,
"formula_full": "Li1 Te2",
"formula_reduced": "LiTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5951518444444445,
"spacegroup": 139
},
{
"id": "jvasp-119433",
"created_at": "2022-09-04T14:38:49.641336Z",
"updated_at": "2022-09-04T14:38:49.641362Z",
"structure_string": "Tl4 Cl12\n1.0\n5.739173 -0.000000 0.000000\n0.000000 7.019576 0.000000\n-0.000000 -0.000000 10.693298\nTl Cl\n4 12\ndirect\n-0.135415 0.750000 0.188262 Tl\n0.635415 0.750000 0.688262 Tl\n0.135415 0.250000 0.811739 Tl\n0.364585 0.250000 0.311738 Tl\n0.004048 0.750000 -0.026782 Cl\n0.495952 0.750000 0.473218 Cl\n-0.004048 0.250000 0.026782 Cl\n0.504048 0.250000 0.526782 Cl\n-0.012409 0.010311 0.344057 Cl\n0.512409 0.489689 0.844057 Cl\n0.012409 0.510311 0.655943 Cl\n0.487590 -0.010311 0.155943 Cl\n0.012409 -0.010311 0.655943 Cl\n0.487590 0.510311 0.155943 Cl\n-0.012409 0.489689 0.344057 Cl\n0.512409 0.010311 0.844057 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 4.791126064244969,
"density_atomic": 0.03714053164665246,
"volume": 430.79620270977216,
"volume_molar": 16.214471072448386,
"formula_full": "Tl4 Cl12",
"formula_reduced": "TlCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1201270337499999,
"spacegroup": 62
},
{
"id": "jvasp-119029",
"created_at": "2022-09-04T14:38:52.775909Z",
"updated_at": "2022-09-04T14:38:52.775945Z",
"structure_string": "Pr10 Sn6\n1.0\n9.361059 -0.000000 0.000000\n-4.680529 8.106915 0.000000\n-0.000000 -0.000000 6.853876\nPr Sn\n10 6\ndirect\n0.666667 0.333333 0.500000 Pr\n0.333333 0.666666 0.500000 Pr\n0.333333 0.666666 -0.000000 Pr\n0.666667 0.333333 -0.000000 Pr\n0.756267 0.756266 0.250000 Pr\n0.243733 0.000000 0.250000 Pr\n-0.000000 0.243733 0.250000 Pr\n0.243733 0.243733 0.750000 Pr\n0.756267 0.000000 0.750000 Pr\n-0.000000 0.756266 0.750000 Pr\n0.392525 0.392525 0.250000 Sn\n0.607475 0.000000 0.250000 Sn\n-0.000000 0.607474 0.250000 Sn\n0.607474 0.607474 0.750000 Sn\n0.392526 0.000000 0.750000 Sn\n-0.000000 0.392525 0.750000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pr",
"Sn"
],
"chemical_system": "Pr-Sn",
"density": 6.772387775105982,
"density_atomic": 0.030761190392630776,
"volume": 520.1359178815459,
"volume_molar": 19.57707319884044,
"formula_full": "Pr10 Sn6",
"formula_reduced": "Pr5Sn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.3246617937500005,
"spacegroup": 193
},
{
"id": "jvasp-119662",
"created_at": "2022-09-04T14:38:52.788822Z",
"updated_at": "2022-09-04T14:38:52.788849Z",
"structure_string": "Ce4 H11\n1.0\n4.991753 0.016766 -4.431362\n-0.997480 4.891105 -4.431362\n-0.013645 -0.016766 6.674907\nCe H\n4 11\ndirect\n0.499999 0.000000 0.500000 Ce\n0.258361 0.258361 0.000000 Ce\n-0.000000 0.500000 0.500000 Ce\n0.741639 0.741640 0.000001 Ce\n0.643564 0.114513 0.000001 H\n0.356435 0.356436 0.470948 H\n0.114512 0.643565 0.000001 H\n0.885487 0.885489 0.529053 H\n0.885488 0.356437 0.000001 H\n0.643563 0.643565 0.529053 H\n0.356436 0.885489 0.000001 H\n0.114511 0.114512 0.470948 H\n0.749999 0.250000 0.500000 H\n0.500000 0.500001 0.000001 H\n0.250000 0.750001 0.500001 H\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ce",
"H"
],
"chemical_system": "Ce-H",
"density": 5.846232013423323,
"density_atomic": 0.09239808302947952,
"volume": 162.34103033516683,
"volume_molar": 6.517603572012031,
"formula_full": "Ce4 H11",
"formula_reduced": "Ce4H11",
"formula_anonymous": "A4B11",
"energy_above_hull": 3.0273861333333336,
"spacegroup": 139
},
{
"id": "jvasp-118690",
"created_at": "2022-09-04T14:38:52.813969Z",
"updated_at": "2022-09-04T14:38:52.813995Z",
"structure_string": "Mg2 Cl2\n1.0\n3.265189 0.000000 0.000000\n0.000000 3.265189 0.000000\n-0.000000 0.000000 8.036400\nMg Cl\n2 2\ndirect\n0.000000 0.000000 0.844736 Mg\n0.500000 0.500000 0.155264 Mg\n0.000000 0.000000 0.322086 Cl\n0.500000 0.500000 0.677914 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 2.316311442568233,
"density_atomic": 0.04668547660887273,
"volume": 85.67975076085625,
"volume_molar": 12.899387984089838,
"formula_full": "Mg2 Cl2",
"formula_reduced": "MgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.07895,
"spacegroup": 129
},
{
"id": "jvasp-120605",
"created_at": "2022-09-04T14:38:52.839058Z",
"updated_at": "2022-09-04T14:38:52.839089Z",
"structure_string": "Te4 O8\n1.0\n3.897427 0.000000 0.000000\n0.000000 5.472855 0.000000\n0.000000 -0.000000 8.001768\nTe O\n4 8\ndirect\n0.250000 0.255334 0.429614 Te\n0.250000 0.755333 0.070386 Te\n0.750001 0.744665 0.570386 Te\n0.750001 0.244666 0.929614 Te\n0.250000 0.121332 -0.001992 O\n0.250000 0.621331 0.501992 O\n0.750001 0.878668 0.001992 O\n0.750001 0.378668 0.498008 O\n0.250000 0.076542 0.630782 O\n0.250000 0.576542 0.869218 O\n0.750001 0.923457 0.369218 O\n0.750001 0.423457 0.130782 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 6.210989907781065,
"density_atomic": 0.07030777580380836,
"volume": 170.67813428610833,
"volume_molar": 8.565397911042721,
"formula_full": "Te4 O8",
"formula_reduced": "TeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3432915888888892,
"spacegroup": 62
}
]
}