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=998",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=996",
"results": [
{
"id": "jvasp-37272",
"created_at": "2022-09-04T14:38:00.860197Z",
"updated_at": "2022-09-04T14:38:00.860224Z",
"structure_string": "Sm2 Mg1 Tl1\n1.0\n0.000000 3.821542 3.821542\n3.821542 -0.000000 3.821542\n3.821542 3.821542 -0.000000\nSm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Tl"
],
"chemical_system": "Mg-Sm-Tl",
"density": 7.875786537772565,
"density_atomic": 0.03583555085371341,
"volume": 111.6209993904839,
"volume_molar": 16.804934252534206,
"formula_full": "Sm2 Mg1 Tl1",
"formula_reduced": "Sm2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.40991221875,
"spacegroup": 225
},
{
"id": "jvasp-18615",
"created_at": "2022-09-04T14:36:18.559516Z",
"updated_at": "2022-09-04T14:36:18.559541Z",
"structure_string": "Li2 Pb1 Au1\n1.0\n4.106489 -0.000000 2.370882\n1.368830 3.871635 2.370882\n0.000000 0.000000 4.741765\nLi Pb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750001 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pb",
"Au"
],
"chemical_system": "Au-Li-Pb",
"density": 9.208115132765434,
"density_atomic": 0.053058490897944205,
"volume": 75.38849922614334,
"volume_molar": 11.350003850624656,
"formula_full": "Li2 Pb1 Au1",
"formula_reduced": "Li2PbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4102645975,
"spacegroup": 216
},
{
"id": "jvasp-114112",
"created_at": "2022-09-04T14:38:50.103572Z",
"updated_at": "2022-09-04T14:38:50.103599Z",
"structure_string": "Ba1 Ag1 Se1\n1.0\n3.401080 -0.000000 -0.000000\n0.000000 3.401080 0.000000\n-0.000000 -0.000000 8.719602\nBa Ag Se\n1 1 1\ndirect\n0.000000 0.000000 0.666649 Ba\n0.000000 0.000000 0.298956 Ag\n0.000000 0.000000 0.003878 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Se"
],
"chemical_system": "Ag-Ba-Se",
"density": 5.336687012824752,
"density_atomic": 0.02974341956667752,
"volume": 100.86264604763177,
"volume_molar": 20.246968397496538,
"formula_full": "Ba1 Ag1 Se1",
"formula_reduced": "BaAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4104667711111111,
"spacegroup": 99
},
{
"id": "jvasp-93870",
"created_at": "2022-09-04T14:35:54.085235Z",
"updated_at": "2022-09-04T14:35:54.085252Z",
"structure_string": "Ba2 As2 Au2\n1.0\n-2.307134 -3.996021 0.000000\n-2.307134 3.996021 -0.000000\n0.000000 0.000000 -9.098907\nBa As Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333332 0.750000 As\n0.333332 0.666667 0.250000 As\n0.666670 0.333329 0.250000 Au\n0.333329 0.666670 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"As",
"Au"
],
"chemical_system": "As-Au-Ba",
"density": 8.100484849154965,
"density_atomic": 0.035762794513648645,
"volume": 167.7721241193872,
"volume_molar": 16.839122450852347,
"formula_full": "Ba2 As2 Au2",
"formula_reduced": "BaAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4105550966666663,
"spacegroup": 194
},
{
"id": "jvasp-63355",
"created_at": "2022-09-04T14:36:01.696426Z",
"updated_at": "2022-09-04T14:36:01.696441Z",
"structure_string": "Ba2 As2 Au2\n1.0\n2.306972 -3.995793 0.000000\n2.306972 3.995793 -0.000000\n0.000000 0.000000 9.099171\nBa As Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666666 0.250000 As\n0.666666 0.333333 0.750000 As\n0.333333 0.666666 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"As",
"Au"
],
"chemical_system": "As-Au-Ba",
"density": 8.101280872567221,
"density_atomic": 0.03576630887386913,
"volume": 167.75563900538813,
"volume_molar": 16.83746785623656,
"formula_full": "Ba2 As2 Au2",
"formula_reduced": "BaAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.410581763333333,
"spacegroup": 194
},
{
"id": "jvasp-16557",
"created_at": "2022-09-04T14:38:14.973102Z",
"updated_at": "2022-09-04T14:38:14.973128Z",
"structure_string": "Tl1 Hg1\n1.0\n3.859268 -0.000000 0.000000\n-0.000000 3.859268 -0.000000\n0.000000 -0.000000 3.859268\nTl Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Hg"
],
"chemical_system": "Hg-Tl",
"density": 11.699321433819998,
"density_atomic": 0.0347948669679195,
"volume": 57.479742682849704,
"volume_molar": 17.307555064235046,
"formula_full": "Tl1 Hg1",
"formula_reduced": "TlHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.41062125,
"spacegroup": 221
},
{
"id": "jvasp-85491",
"created_at": "2022-09-04T14:36:00.218586Z",
"updated_at": "2022-09-04T14:36:00.218602Z",
"structure_string": "K1 Eu1 Cu2 Te4\n1.0\n4.504288 0.000000 -0.000000\n0.000000 4.504288 -0.000000\n0.000000 0.000000 10.701047\nK Eu Cu Te\n1 1 2 4\ndirect\n0.500000 0.500000 0.513069 K\n0.000000 0.000000 0.985413 Eu\n0.000000 0.500000 0.235966 Cu\n0.500000 0.000000 0.235966 Cu\n0.000000 0.000000 0.369246 Te\n0.000000 0.500000 0.776449 Te\n0.500000 0.500000 0.084643 Te\n0.500000 0.000000 0.776449 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Eu",
"Cu",
"Te"
],
"chemical_system": "Cu-Eu-K-Te",
"density": 6.3371136996045,
"density_atomic": 0.03684778725964584,
"volume": 217.1093733153759,
"volume_molar": 16.34329008025727,
"formula_full": "K1 Eu1 Cu2 Te4",
"formula_reduced": "KEu(CuTe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4108124958333333,
"spacegroup": 99
},
{
"id": "jvasp-91715",
"created_at": "2022-09-04T14:36:16.692814Z",
"updated_at": "2022-09-04T14:36:16.692842Z",
"structure_string": "Ba1 Mg6 W1\n1.0\n6.567331 -1.759927 0.000000\n-4.807807 8.327366 0.000000\n0.000000 0.000000 4.219356\nBa Mg W\n1 6 1\ndirect\n0.249987 0.374993 0.250000 Ba\n0.750002 0.375027 0.250000 Mg\n0.750002 0.874973 0.250000 Mg\n0.250006 0.084269 0.750001 Mg\n0.250006 0.665739 0.750001 Mg\n0.668530 0.084265 0.750001 Mg\n0.831446 0.665723 0.750001 Mg\n0.250018 0.875009 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"W"
],
"chemical_system": "Ba-Mg-W",
"density": 3.9757550742112073,
"density_atomic": 0.041015349892968345,
"volume": 195.0489273132232,
"volume_molar": 14.682651192090484,
"formula_full": "Ba1 Mg6 W1",
"formula_reduced": "BaMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4108937837499998,
"spacegroup": 123
},
{
"id": "jvasp-64148",
"created_at": "2022-09-04T14:36:00.238903Z",
"updated_at": "2022-09-04T14:36:00.238940Z",
"structure_string": "Ba4 Sc1 Pb1\n1.0\n0.000000 5.073176 5.073176\n5.073176 0.000000 5.073176\n5.073176 5.073176 0.000000\nBa Sc Pb\n4 1 1\ndirect\n0.127034 0.624322 0.624322 Ba\n0.624322 0.624322 0.624322 Ba\n0.624322 0.127034 0.624322 Ba\n0.624322 0.624322 0.127034 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Pb"
],
"chemical_system": "Ba-Pb-Sc",
"density": 5.096397405768271,
"density_atomic": 0.022976372683171986,
"volume": 261.1378254842824,
"volume_molar": 26.210145713777734,
"formula_full": "Ba4 Sc1 Pb1",
"formula_reduced": "Ba4ScPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4109949916666665,
"spacegroup": 216
},
{
"id": "jvasp-109273",
"created_at": "2022-09-04T14:38:18.910362Z",
"updated_at": "2022-09-04T14:38:18.910380Z",
"structure_string": "Dy2 Mg1 Cd1\n1.0\n4.567399 0.000000 2.636989\n1.522466 4.306185 2.636989\n-0.000000 -0.000000 5.273978\nDy Mg Cd\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500001 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Cd"
],
"chemical_system": "Cd-Dy-Mg",
"density": 7.391355176394223,
"density_atomic": 0.038562043589377856,
"volume": 103.72894244385492,
"volume_molar": 15.616757307070817,
"formula_full": "Dy2 Mg1 Cd1",
"formula_reduced": "Dy2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.41104606875,
"spacegroup": 225
},
{
"id": "jvasp-96742",
"created_at": "2022-09-04T14:36:05.245584Z",
"updated_at": "2022-09-04T14:36:05.245605Z",
"structure_string": "K3 Cu8 S6\n1.0\n3.859737 -0.000000 -0.000000\n-1.929868 8.352800 -2.156209\n-0.000000 -0.099306 9.687843\nK Cu S\n3 8 6\ndirect\n0.500000 0.000000 0.000000 K\n0.309417 0.618834 0.700585 K\n0.690583 0.381165 0.299414 K\n0.093737 0.187474 0.799845 Cu\n0.905024 0.810047 0.465568 Cu\n0.094976 0.189952 0.534431 Cu\n0.303590 0.607179 0.090584 Cu\n0.518165 0.036329 0.642060 Cu\n0.481835 0.963671 0.357940 Cu\n0.696410 0.392820 0.909415 Cu\n0.906263 0.812526 0.200154 Cu\n0.042137 0.084273 0.293586 S\n0.957864 0.915726 0.706414 S\n0.341848 0.683696 0.354188 S\n0.839083 0.678166 0.972822 S\n0.160917 0.321833 0.027178 S\n0.658152 0.316303 0.645812 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"K",
"Cu",
"S"
],
"chemical_system": "Cu-K-S",
"density": 4.360781335841387,
"density_atomic": 0.05457361787123801,
"volume": 311.50582759805496,
"volume_molar": 11.034893772681059,
"formula_full": "K3 Cu8 S6",
"formula_reduced": "K3(Cu4S3)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 0.4110466029411765,
"spacegroup": 12
},
{
"id": "jvasp-50365",
"created_at": "2022-09-04T14:35:56.484295Z",
"updated_at": "2022-09-04T14:35:56.484317Z",
"structure_string": "Ba2 Na8 O6\n1.0\n5.855908 -0.000000 1.126889\n-2.927954 8.499937 -0.563444\n-0.952494 -0.000000 5.573895\nBa Na O\n2 8 6\ndirect\n0.163821 0.312122 0.251268 Ba\n0.851700 0.687878 0.751268 Ba\n0.471703 0.985886 0.778398 Na\n-0.000968 0.083327 0.731210 Na\n0.312963 0.614722 0.777644 Na\n0.339502 0.689558 0.279032 Na\n0.649944 0.310442 0.779032 Na\n0.485815 0.014114 0.278397 Na\n0.915706 0.916673 0.231211 Na\n0.698240 0.385278 0.277644 Na\n0.186451 0.831662 0.025470 O\n0.011856 0.493715 0.520393 O\n0.354790 0.168338 0.525470 O\n0.638399 0.848070 0.529278 O\n0.518140 0.506285 0.020393 O\n0.790326 0.151931 0.029277 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 3.2135411852887312,
"density_atomic": 0.05583409939735931,
"volume": 286.56323237402705,
"volume_molar": 10.785775762481125,
"formula_full": "Ba2 Na8 O6",
"formula_reduced": "BaNa4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4111269062499999,
"spacegroup": 9
}
]
}