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=energy_above_hull&page=387",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=385",
"results": [
{
"id": "jvasp-106265",
"created_at": "2022-09-04T14:37:08.732258Z",
"updated_at": "2022-09-04T14:37:08.732285Z",
"structure_string": "Na3 Au1\n1.0\n4.445095 -0.000000 2.566377\n1.481699 4.190876 2.566377\n-0.000000 0.000000 5.132754\nNa Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750001 0.750000 Na\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Au"
],
"chemical_system": "Au-Na",
"density": 4.618380600048416,
"density_atomic": 0.041833450073514716,
"volume": 95.6172630507578,
"volume_molar": 14.395515429440263,
"formula_full": "Na3 Au1",
"formula_reduced": "Na3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5000000000001124e-05,
"spacegroup": 225
},
{
"id": "jvasp-36187",
"created_at": "2022-09-04T14:37:18.108883Z",
"updated_at": "2022-09-04T14:37:18.108902Z",
"structure_string": "Br2 Cl2\n1.0\n3.235564 2.261785 0.000000\n-3.235564 2.261785 0.000000\n0.000000 0.000000 7.817153\nBr Cl\n2 2\ndirect\n0.999861 0.999861 0.375012 Br\n0.000141 0.000141 0.875012 Br\n0.681402 0.681402 0.624988 Cl\n0.318600 0.318600 0.124988 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"Cl"
],
"chemical_system": "Br-Cl",
"density": 3.3484446485865287,
"density_atomic": 0.03496069594012559,
"volume": 114.41419835722043,
"volume_molar": 17.225460186243552,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.5000000000001124e-05,
"spacegroup": 63
},
{
"id": "jvasp-39271",
"created_at": "2022-09-04T14:37:53.128132Z",
"updated_at": "2022-09-04T14:37:53.128159Z",
"structure_string": "Ga6 Te2\n1.0\n3.252146 -5.632883 0.000000\n3.252146 5.632883 -0.000000\n-0.000000 -0.000000 5.298816\nGa Te\n6 2\ndirect\n0.158822 0.841179 0.750001 Ga\n0.682357 0.841179 0.750001 Ga\n0.158822 0.317644 0.750001 Ga\n0.841179 0.158822 0.250000 Ga\n0.317644 0.158822 0.250000 Ga\n0.841179 0.682357 0.250000 Ga\n0.333334 0.666667 0.250000 Te\n0.666667 0.333334 0.750001 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Te"
],
"chemical_system": "Ga-Te",
"density": 5.761049420693531,
"density_atomic": 0.04120789092668548,
"volume": 194.13757462698354,
"volume_molar": 14.614047515108744,
"formula_full": "Ga6 Te2",
"formula_reduced": "Ga3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5000000000001124e-05,
"spacegroup": 194
},
{
"id": "jvasp-852",
"created_at": "2022-09-04T14:38:00.115323Z",
"updated_at": "2022-09-04T14:38:00.115350Z",
"structure_string": "Ce1\n1.0\n2.883450 0.000000 1.664760\n0.961150 2.718543 1.664760\n-0.000000 0.000000 3.329520\nCe\n1\ndirect\n0.000000 0.000000 -0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.914696626342065,
"density_atomic": 0.0383150803156539,
"volume": 26.09938415270509,
"volume_molar": 15.717416511690338,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy_above_hull": 1.5499999999946112e-05,
"spacegroup": 225
},
{
"id": "jvasp-9428",
"created_at": "2022-09-04T14:37:16.563035Z",
"updated_at": "2022-09-04T14:37:16.563045Z",
"structure_string": "K2 Cu2 F6\n1.0\n4.988150 -0.127437 -2.777862\n-3.235178 4.703678 -0.153082\n-0.087650 0.127437 5.708808\nK Cu F\n2 2 6\ndirect\n0.000000 0.750001 0.750001 K\n0.000000 0.250000 0.250000 K\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000137 0.250069 0.750069 F\n0.500000 0.750069 0.749932 F\n0.500000 0.249931 0.250069 F\n-0.000137 0.749932 0.249932 F\n0.500000 0.750000 0.250000 F\n0.500000 0.250000 0.750001 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Cu",
"F"
],
"chemical_system": "Cu-F-K",
"density": 4.026064253046689,
"density_atomic": 0.07593836171816377,
"volume": 131.6857484641796,
"volume_molar": 7.930301133372434,
"formula_full": "K2 Cu2 F6",
"formula_reduced": "KCuF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6000000000016e-05,
"spacegroup": 221
},
{
"id": "jvasp-29631",
"created_at": "2022-09-04T14:36:46.581080Z",
"updated_at": "2022-09-04T14:36:46.581092Z",
"structure_string": "Cd5 I10\n1.0\n4.285450 -0.000000 -0.000000\n-2.142724 3.711308 -0.000000\n-0.000000 0.000000 34.372085\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050043 Cd\n0.333334 0.666667 0.850011 Cd\n0.333334 0.666667 0.449975 Cd\n0.333334 0.666667 0.650037 Cd\n0.333334 0.666667 0.249978 Cd\n0.000000 -0.000000 0.199505 I\n0.666667 0.333333 0.900449 I\n0.333334 0.666667 0.100465 I\n0.666667 0.333333 0.300410 I\n-0.000000 0.000000 -0.000430 I\n0.666667 0.333333 0.500425 I\n0.666667 0.333333 0.700480 I\n0.000000 -0.000000 0.399514 I\n0.000000 -0.000000 0.599581 I\n0.000000 -0.000000 0.799556 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.562010209097735,
"density_atomic": 0.027438600202369223,
"volume": 546.675117876633,
"volume_molar": 21.947696732284506,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.666666666666483e-05,
"spacegroup": 156
},
{
"id": "jvasp-5641",
"created_at": "2022-09-04T14:38:37.886485Z",
"updated_at": "2022-09-04T14:38:37.886509Z",
"structure_string": "Sn8 Cl16\n1.0\n0.000000 9.230912 -0.006798\n4.409452 0.000000 0.000000\n0.000000 -0.010921 -15.506684\nSn Cl\n8 16\ndirect\n0.577373 0.749800 0.383845 Sn\n0.422627 0.249800 0.116155 Sn\n0.422627 0.250200 0.616155 Sn\n0.577373 0.750200 0.883845 Sn\n0.077381 0.250084 0.366158 Sn\n0.922619 0.750084 0.133842 Sn\n0.922619 0.749916 0.633842 Sn\n0.077381 0.249916 0.866158 Sn\n0.078800 0.249939 0.571392 Cl\n0.921200 0.749939 0.928608 Cl\n0.421202 0.249962 0.321392 Cl\n0.578798 0.749961 0.178608 Cl\n0.578798 0.750038 0.678608 Cl\n0.421202 0.250038 0.821392 Cl\n0.344330 0.750051 0.990159 Cl\n0.844320 0.250157 0.259845 Cl\n0.655670 0.249948 0.009841 Cl\n0.344330 0.749948 0.490159 Cl\n0.078800 0.250060 0.071392 Cl\n0.155680 0.750156 0.240155 Cl\n0.155680 0.749843 0.740155 Cl\n0.844320 0.249843 0.759845 Cl\n0.655670 0.250051 0.509841 Cl\n0.921200 0.750060 0.428608 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn",
"density": 3.990852465927659,
"density_atomic": 0.03802444199410639,
"volume": 631.1729703678462,
"volume_molar": 15.837551964426998,
"formula_full": "Sn8 Cl16",
"formula_reduced": "SnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6666666666720342e-05,
"spacegroup": 62
},
{
"id": "jvasp-69013",
"created_at": "2022-09-04T14:36:02.104032Z",
"updated_at": "2022-09-04T14:36:02.104064Z",
"structure_string": "Ba1 Tl1 Pb2\n1.0\n4.247272 0.000000 0.000000\n0.000000 4.247272 0.000000\n0.000000 0.000000 7.612352\nBa Tl Pb\n1 1 2\ndirect\n0.500000 0.500000 0.747890 Ba\n0.000000 0.000000 0.462684 Tl\n0.000000 0.000000 0.044856 Pb\n0.500000 0.500000 0.244569 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Pb"
],
"chemical_system": "Ba-Pb-Tl",
"density": 9.143137276564893,
"density_atomic": 0.029128691772353763,
"volume": 137.32164943282578,
"volume_molar": 20.674257556996277,
"formula_full": "Ba1 Tl1 Pb2",
"formula_reduced": "BaTlPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7500000000003624e-05,
"spacegroup": 99
},
{
"id": "jvasp-39293",
"created_at": "2022-09-04T14:37:45.136755Z",
"updated_at": "2022-09-04T14:37:45.136775Z",
"structure_string": "K3 Sr1\n1.0\n-3.172898 3.172898 6.541830\n3.172898 -3.172898 6.541830\n3.172898 3.172898 -6.541830\nK Sr\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 1.2916687976193062,
"density_atomic": 0.015184081425511833,
"volume": 263.43378225562736,
"volume_molar": 39.660882942064454,
"formula_full": "K3 Sr1",
"formula_reduced": "K3Sr",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7500000000003624e-05,
"spacegroup": 139
},
{
"id": "jvasp-79517",
"created_at": "2022-09-04T14:37:56.933186Z",
"updated_at": "2022-09-04T14:37:56.933205Z",
"structure_string": "P4\n1.0\n-3.341223 -0.000000 0.000000\n0.000000 0.000000 -4.467999\n1.670612 -5.356390 0.000000\nP\n4\ndirect\n0.600760 0.417880 0.201522 P\n0.399240 0.582120 0.798478 P\n0.899239 0.917880 0.798478 P\n0.100761 0.082120 0.201522 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.572837313461401,
"density_atomic": 0.05002294671082961,
"volume": 79.9633021045925,
"volume_molar": 12.038756522706509,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy_above_hull": 1.999999999968693e-05,
"spacegroup": 64
},
{
"id": "jvasp-14644",
"created_at": "2022-09-04T14:36:15.364832Z",
"updated_at": "2022-09-04T14:36:15.364860Z",
"structure_string": "Pd1\n1.0\n2.411437 0.000000 1.392244\n0.803812 2.273525 1.392244\n0.000000 0.000000 2.784488\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.575808859692037,
"density_atomic": 0.06550568538621615,
"volume": 15.265850499908245,
"volume_molar": 9.193310053156381,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy_above_hull": 1.999999999968693e-05,
"spacegroup": 225
},
{
"id": "jvasp-80808",
"created_at": "2022-09-04T14:37:15.670234Z",
"updated_at": "2022-09-04T14:37:15.670251Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-9.976140 0.000000 -5.759727\n-6.472739 -0.509615 -0.308342\n-5.242725 2.969390 -2.438788\nNa Hg Au\n2 1 1\ndirect\n0.757633 -0.000001 -0.000000 Na\n0.242367 -0.000000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Na",
"density": 7.044002288452779,
"density_atomic": 0.038256162315935704,
"volume": 104.55831839498939,
"volume_molar": 15.741622775088084,
"formula_full": "Na2 Hg1 Au1",
"formula_reduced": "Na2HgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.999999999999225e-05,
"spacegroup": 139
}
]
}