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=-created_at&page=4346",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4344",
"results": [
{
"id": "jvasp-94421",
"created_at": "2022-09-04T14:35:50.585946Z",
"updated_at": "2022-09-04T14:35:50.585972Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.489673 0.000000 0.000000\n0.000000 4.489673 -0.000000\n0.000000 0.000000 7.294551\nCa Mn Sn\n2 2 2\ndirect\n0.250000 0.250000 0.175447 Ca\n0.750000 0.750000 0.824553 Ca\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.250000 0.250000 0.720196 Sn\n0.750000 0.750000 0.279804 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sn"
],
"chemical_system": "Ca-Mn-Sn",
"density": 4.827347419162673,
"density_atomic": 0.04080592844779397,
"volume": 147.0374582378696,
"volume_molar": 14.758004508351204,
"formula_full": "Ca2 Mn2 Sn2",
"formula_reduced": "CaMnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1681331204597702,
"spacegroup": 129
},
{
"id": "jvasp-65488",
"created_at": "2022-09-04T14:35:50.582445Z",
"updated_at": "2022-09-04T14:35:50.582471Z",
"structure_string": "Ba1 Hf2 Ni1\n1.0\n3.320288 0.000000 0.000000\n0.000000 3.320288 0.000000\n-0.000000 0.000000 8.759483\nBa Hf Ni\n1 2 1\ndirect\n0.500000 0.500000 0.708225 Ba\n0.000000 0.000000 0.069380 Hf\n0.500000 0.500000 0.291915 Hf\n0.000000 0.000000 0.430480 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ni"
],
"chemical_system": "Ba-Hf-Ni",
"density": 9.509212600890203,
"density_atomic": 0.041421899021495345,
"volume": 96.56727708027711,
"volume_molar": 14.538543384683765,
"formula_full": "Ba1 Hf2 Ni1",
"formula_reduced": "BaHf2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9447185925,
"spacegroup": 99
},
{
"id": "jvasp-22676",
"created_at": "2022-09-04T14:35:50.581883Z",
"updated_at": "2022-09-04T14:35:50.581906Z",
"structure_string": "H2 Cl2\n1.0\n2.440240 0.000000 2.915049\n0.000000 5.169682 0.000000\n-2.440240 0.000000 2.915049\nH Cl\n2 2\ndirect\n0.935783 0.676748 0.064217 H\n0.064217 0.176748 0.935783 H\n0.750324 0.493251 0.249677 Cl\n0.249677 0.993251 0.750324 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.6463976139597647,
"density_atomic": 0.054386081004056404,
"volume": 73.54823010140515,
"volume_molar": 11.072944857988274,
"formula_full": "H2 Cl2",
"formula_reduced": "HCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.66204703375,
"spacegroup": 36
},
{
"id": "jvasp-87118",
"created_at": "2022-09-04T14:35:50.580047Z",
"updated_at": "2022-09-04T14:35:50.580076Z",
"structure_string": "Ca4 Si4 Pd4\n1.0\n5.745144 0.000000 0.000000\n0.000000 5.548858 -1.964072\n0.000000 0.044252 7.426838\nCa Si Pd\n4 4 4\ndirect\n0.127715 0.321323 0.116096 Ca\n0.372285 0.821323 0.616096 Ca\n0.872284 0.678677 0.883904 Ca\n0.627715 0.178677 0.383904 Ca\n0.620365 0.170821 0.957301 Si\n0.379634 0.829179 0.042700 Si\n0.120365 0.329179 0.542700 Si\n0.879634 0.670821 0.457301 Si\n0.611057 0.577798 0.191194 Pd\n0.388942 0.422202 0.808807 Pd\n0.888942 0.077797 0.691194 Pd\n0.111057 0.922203 0.308807 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Pd"
],
"chemical_system": "Ca-Pd-Si",
"density": 4.887523163435075,
"density_atomic": 0.05057755022921074,
"volume": 237.2594154050086,
"volume_molar": 11.906746635035617,
"formula_full": "Ca4 Si4 Pd4",
"formula_reduced": "CaSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0227082399999998,
"spacegroup": 14
},
{
"id": "jvasp-73349",
"created_at": "2022-09-04T14:35:50.576486Z",
"updated_at": "2022-09-04T14:35:50.576512Z",
"structure_string": "Be2 P1 Ru1\n1.0\n2.974560 0.000000 0.000000\n0.000000 2.974560 -0.000000\n0.000000 -0.000000 4.834039\nBe P Ru\n2 1 1\ndirect\n0.000000 0.000000 0.033511 Be\n0.500000 0.500000 0.239893 Be\n0.000000 0.000000 0.481633 P\n0.500000 0.500000 0.744963 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Ru"
],
"chemical_system": "Be-P-Ru",
"density": 5.82615372950746,
"density_atomic": 0.09351997335028447,
"volume": 42.771611846142946,
"volume_molar": 6.439416676738907,
"formula_full": "Be2 P1 Ru1",
"formula_reduced": "Be2PRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7426495500000003,
"spacegroup": 99
},
{
"id": "jvasp-71553",
"created_at": "2022-09-04T14:35:50.576415Z",
"updated_at": "2022-09-04T14:35:50.576443Z",
"structure_string": "Ca1 Be2 Os1\n1.0\n3.080916 0.000000 -0.000000\n0.000000 3.080916 0.000000\n0.000000 -0.000000 6.073261\nCa Be Os\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Ca\n0.000000 0.000000 0.668890 Be\n0.000000 0.000000 0.331109 Be\n0.500001 0.500001 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Os"
],
"chemical_system": "Be-Ca-Os",
"density": 7.153206452514592,
"density_atomic": 0.06938703512244557,
"volume": 57.64765698579425,
"volume_molar": 8.679057621316257,
"formula_full": "Ca1 Be2 Os1",
"formula_reduced": "CaBe2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.285061905,
"spacegroup": 123
},
{
"id": "jvasp-94394",
"created_at": "2022-09-04T14:35:50.575796Z",
"updated_at": "2022-09-04T14:35:50.575811Z",
"structure_string": "Mg5 Zn1\n1.0\n3.180714 0.000000 0.000000\n-1.590357 2.754579 -0.000000\n0.000000 0.000000 14.716672\nMg Zn\n5 1\ndirect\n0.000000 0.000000 0.852319 Mg\n0.666666 0.333333 0.676311 Mg\n0.000000 0.000000 0.500000 Mg\n0.666666 0.333333 0.323689 Mg\n0.000000 0.000000 0.147681 Mg\n0.666666 0.333333 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.4073982099771483,
"density_atomic": 0.046533078704348634,
"volume": 128.9405336389076,
"volume_molar": 12.941634054050278,
"formula_full": "Mg5 Zn1",
"formula_reduced": "Mg5Zn",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0488067647058823,
"spacegroup": 187
},
{
"id": "jvasp-64317",
"created_at": "2022-09-04T14:35:50.575748Z",
"updated_at": "2022-09-04T14:35:50.575773Z",
"structure_string": "Ba4 Ti1 Cd1\n1.0\n0.000000 5.013547 5.013547\n5.013547 0.000000 5.013547\n5.013547 5.013547 -0.000000\nBa Ti Cd\n4 1 1\ndirect\n0.124764 0.625079 0.625079 Ba\n0.625079 0.625079 0.625079 Ba\n0.625079 0.124764 0.625079 Ba\n0.625079 0.625079 0.124764 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Cd"
],
"chemical_system": "Ba-Cd-Ti",
"density": 4.675078076724773,
"density_atomic": 0.023805975528059527,
"volume": 252.03756060859365,
"volume_molar": 25.296761113199707,
"formula_full": "Ba4 Ti1 Cd1",
"formula_reduced": "Ba4TiCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3080053272222221,
"spacegroup": 216
},
{
"id": "jvasp-93328",
"created_at": "2022-09-04T14:35:50.571133Z",
"updated_at": "2022-09-04T14:35:50.571155Z",
"structure_string": "Er2 Co4\n1.0\n-3.515543 -3.515543 -0.000000\n-3.515543 0.000000 -3.515543\n0.000000 -3.515543 -3.515543\nEr Co\n2 4\ndirect\n0.749999 0.749999 0.749999 Er\n0.000000 0.000000 0.000000 Er\n0.874999 0.375000 0.375000 Co\n0.375000 0.874999 0.375000 Co\n0.375000 0.375000 0.874999 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Co"
],
"chemical_system": "Co-Er",
"density": 10.897019970002043,
"density_atomic": 0.06904687247939723,
"volume": 86.89749129173562,
"volume_molar": 8.721815404161768,
"formula_full": "Er2 Co4",
"formula_reduced": "ErCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.251263933333333,
"spacegroup": 227
},
{
"id": "jvasp-91664",
"created_at": "2022-09-04T14:35:50.570732Z",
"updated_at": "2022-09-04T14:35:50.570760Z",
"structure_string": "V4 Ir4\n1.0\n0.000000 0.000000 -3.955928\n-3.623839 -3.891739 0.000000\n-3.623839 3.891739 0.000000\nV Ir\n4 4\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.219246 0.780754 V\n0.500000 0.780754 0.219246 V\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.727785 0.727785 Ir\n0.500000 0.272215 0.272215 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Ir"
],
"chemical_system": "Ir-V",
"density": 14.47463326281305,
"density_atomic": 0.07169667438165785,
"volume": 111.58118656123663,
"volume_molar": 8.399470145494842,
"formula_full": "V4 Ir4",
"formula_reduced": "VIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.72688265,
"spacegroup": 65
},
{
"id": "jvasp-67121",
"created_at": "2022-09-04T14:35:50.568909Z",
"updated_at": "2022-09-04T14:35:50.568934Z",
"structure_string": "Ta1 Be2 Ru1\n1.0\n2.934523 -0.000000 0.000000\n0.000000 2.934523 -0.000000\n-0.000000 -0.000000 5.613689\nTa Be Ru\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ta\n0.000000 0.000000 0.800295 Be\n0.000000 0.000000 0.199705 Be\n0.499999 0.499999 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Ru"
],
"chemical_system": "Be-Ru-Ta",
"density": 10.306426677226556,
"density_atomic": 0.08274401814476011,
"volume": 48.341863130238934,
"volume_molar": 7.278037609273827,
"formula_full": "Ta1 Be2 Ru1",
"formula_reduced": "TaBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.676975475,
"spacegroup": 123
},
{
"id": "jvasp-95400",
"created_at": "2022-09-04T14:35:50.563660Z",
"updated_at": "2022-09-04T14:35:50.563682Z",
"structure_string": "Ca6 Cu2 Ir2 O12\n1.0\n6.485294 0.054493 -0.053550\n-0.056237 6.500554 -0.148005\n0.052963 0.039490 6.502146\nCa Cu Ir O\n6 2 2 12\ndirect\n0.749999 0.599347 0.400653 Ca\n0.249999 0.400652 0.599349 Ca\n0.618686 0.740838 0.888972 Ca\n0.881312 0.111028 0.259161 Ca\n0.381312 0.259160 0.111029 Ca\n0.118686 0.888971 0.740840 Ca\n0.249999 0.805871 0.194129 Cu\n0.749999 0.194128 0.805872 Cu\n-0.000000 0.500000 0.000000 Ir\n0.499999 -0.000000 0.500000 Ir\n0.067084 0.425878 0.292211 O\n0.432914 0.707789 0.574122 O\n0.706404 0.402310 0.035782 O\n0.793594 0.964218 0.597691 O\n0.293594 0.597689 0.964220 O\n0.546540 0.904760 0.205895 O\n0.046540 0.205894 0.904762 O\n0.453459 0.095238 0.794106 O\n0.953459 0.794105 0.095239 O\n0.567084 0.292210 0.425879 O\n0.206405 0.035781 0.402310 O\n0.932914 0.574121 0.707790 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Ir",
"O"
],
"chemical_system": "Ca-Cu-Ir-O",
"density": 5.716864971827528,
"density_atomic": 0.08023532137519705,
"volume": 274.1934552380419,
"volume_molar": 7.505598104155672,
"formula_full": "Ca6 Cu2 Ir2 O12",
"formula_reduced": "Ca3CuIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7139648918181818,
"spacegroup": 15
}
]
}