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=74",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=72",
"results": [
{
"id": "jvasp-66242",
"created_at": "2022-09-04T14:35:43.078895Z",
"updated_at": "2022-09-04T14:35:43.078923Z",
"structure_string": "Ba4 Bi1 Os1\n1.0\n0.000000 4.816986 4.816986\n4.816986 -0.000000 4.816986\n4.816986 4.816986 -0.000000\nBa Bi Os\n4 1 1\ndirect\n0.123783 0.625406 0.625406 Ba\n0.625406 0.625406 0.625406 Ba\n0.625406 0.123783 0.625406 Ba\n0.625406 0.625406 0.123783 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Os"
],
"chemical_system": "Ba-Bi-Os",
"density": 7.0459362517097786,
"density_atomic": 0.026840778149446465,
"volume": 223.5404639385888,
"volume_molar": 22.43653565656476,
"formula_full": "Ba4 Bi1 Os1",
"formula_reduced": "Ba4BiOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.223922196666667,
"spacegroup": 216
},
{
"id": "jvasp-96502",
"created_at": "2022-09-04T14:35:43.080546Z",
"updated_at": "2022-09-04T14:35:43.080571Z",
"structure_string": "Yb2 S1 O2\n1.0\n4.348338 -0.000000 0.000000\n-2.174168 3.765771 0.000000\n-0.000000 0.000000 4.713580\nYb S O\n2 1 2\ndirect\n0.666667 0.333333 0.415321 Yb\n0.333333 0.666667 -0.087284 Yb\n-0.000000 -0.000000 0.163904 S\n0.333333 0.666667 0.431335 O\n0.666667 0.333333 0.896725 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"S",
"O"
],
"chemical_system": "O-S-Yb",
"density": 8.823830651442004,
"density_atomic": 0.06478014569981275,
"volume": 77.18414254839277,
"volume_molar": 9.296275417326527,
"formula_full": "Yb2 S1 O2",
"formula_reduced": "Yb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6518756799999997,
"spacegroup": 164
},
{
"id": "jvasp-85476",
"created_at": "2022-09-04T14:35:43.080862Z",
"updated_at": "2022-09-04T14:35:43.080887Z",
"structure_string": "Zr3 Co9 B6\n1.0\n5.700271 -0.019969 -0.460803\n-0.497923 5.678589 -0.460772\n-0.018377 -0.019958 5.718874\nZr Co B\n3 9 6\ndirect\n0.330303 0.330309 0.330305 Zr\n0.669696 0.669691 0.669695 Zr\n0.000000 -0.000000 -0.000000 Zr\n0.500000 -0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.803544 0.305417 0.305408 Co\n0.694589 0.196456 0.694580 Co\n-0.000000 -0.000000 0.500000 Co\n0.305411 0.803544 0.305419 Co\n0.305416 0.305411 0.803544 Co\n0.694584 0.694588 0.196456 Co\n0.196455 0.694583 0.694592 Co\n0.623756 -0.000000 0.376244 B\n0.376241 0.623752 -0.000004 B\n-0.000000 0.623755 0.376244 B\n0.000000 0.376245 0.623755 B\n0.623760 0.376247 0.000005 B\n0.376243 0.000000 0.623756 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Co",
"B"
],
"chemical_system": "B-Co-Zr",
"density": 7.8013776686890175,
"density_atomic": 0.09732099550352519,
"volume": 184.95495146623318,
"volume_molar": 6.1879152888256925,
"formula_full": "Zr3 Co9 B6",
"formula_reduced": "ZrCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.179063727777778,
"spacegroup": 166
},
{
"id": "jvasp-92220",
"created_at": "2022-09-04T14:35:43.084194Z",
"updated_at": "2022-09-04T14:35:43.084226Z",
"structure_string": "K2 Bi2 Se4\n1.0\n8.910046 0.244297 0.169135\n9.127589 8.086484 0.055627\n4.674319 5.300900 3.742526\nK Bi Se\n2 2 4\ndirect\n0.994870 0.010317 0.989639 K\n0.755131 0.489681 0.010365 K\n0.539234 0.921532 0.078512 Bi\n0.210768 0.578465 0.921491 Bi\n0.270661 0.961108 0.510396 Se\n0.981713 0.538944 0.432575 Se\n0.768289 0.961052 0.567429 Se\n0.479341 0.538889 0.489607 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Se",
"density": 5.1753476985761395,
"density_atomic": 0.03070617943706529,
"volume": 260.53387776218216,
"volume_molar": 19.612146057906187,
"formula_full": "K2 Bi2 Se4",
"formula_reduced": "KBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4895672583333333,
"spacegroup": 15
},
{
"id": "jvasp-75869",
"created_at": "2022-09-04T14:35:43.084413Z",
"updated_at": "2022-09-04T14:35:43.084436Z",
"structure_string": "Hf1 As1 Ir1\n1.0\n0.000000 3.127893 3.127893\n3.127893 0.000000 3.127893\n3.127893 3.127893 -0.000000\nHf As Ir\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Hf\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"As",
"Ir"
],
"chemical_system": "As-Hf-Ir",
"density": 12.090283734446706,
"density_atomic": 0.04901574349290276,
"volume": 61.20482494434437,
"volume_molar": 12.286135700200031,
"formula_full": "Hf1 As1 Ir1",
"formula_reduced": "HfAsIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.570005283333333,
"spacegroup": 216
},
{
"id": "jvasp-71537",
"created_at": "2022-09-04T14:35:43.086235Z",
"updated_at": "2022-09-04T14:35:43.086259Z",
"structure_string": "Sc1 Be1 Cl1\n1.0\n1.667530 -2.888248 0.000000\n1.667530 2.888248 -0.000000\n0.000000 -0.000000 6.721782\nSc Be Cl\n1 1 1\ndirect\n0.333333 0.666667 0.662077 Sc\n0.000000 0.000000 0.928856 Be\n0.666667 0.333333 0.409067 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Sc",
"density": 2.29332982989812,
"density_atomic": 0.0463338830864428,
"volume": 64.74743319922163,
"volume_molar": 12.997271885813658,
"formula_full": "Sc1 Be1 Cl1",
"formula_reduced": "ScBeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1900684724999997,
"spacegroup": 156
},
{
"id": "jvasp-5824",
"created_at": "2022-09-04T14:35:43.087009Z",
"updated_at": "2022-09-04T14:35:43.087035Z",
"structure_string": "Ta3 S1 Br7\n1.0\n6.211481 0.000000 3.482476\n3.079153 6.170719 1.788660\n0.002854 0.000457 7.275667\nTa S Br\n3 1 7\ndirect\n0.647999 0.318188 0.385813 Ta\n0.647196 0.720983 0.387303 Ta\n0.244517 0.720983 0.387303 Ta\n0.649601 0.590779 0.110018 S\n0.736884 0.918606 0.607624 Br\n0.126894 0.584317 0.161895 Br\n0.210425 0.920969 0.658181 Br\n0.620313 0.090511 0.161153 Br\n0.128025 0.090511 0.161153 Br\n0.211908 0.413979 0.655482 Br\n0.718630 0.413979 0.655482 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"S",
"Br"
],
"chemical_system": "Br-S-Ta",
"density": 6.7553028414865635,
"density_atomic": 0.03945342751589345,
"volume": 278.8097433504035,
"volume_molar": 15.26392290650549,
"formula_full": "Ta3 S1 Br7",
"formula_reduced": "Ta3SBr7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.270884212272727,
"spacegroup": 8
},
{
"id": "jvasp-338",
"created_at": "2022-09-04T14:35:43.095246Z",
"updated_at": "2022-09-04T14:35:43.095276Z",
"structure_string": "Ti2 Te2\n1.0\n1.861749 -3.224643 0.000000\n1.861749 3.224643 0.000000\n0.000000 0.000000 7.195814\nTi Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333334 0.666667 0.250000 Te\n0.666667 0.333334 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.744687760665736,
"density_atomic": 0.04629640797530564,
"volume": 86.39979158066836,
"volume_molar": 13.007792663336193,
"formula_full": "Ti2 Te2",
"formula_reduced": "TiTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.27438305,
"spacegroup": 194
},
{
"id": "jvasp-14624",
"created_at": "2022-09-04T14:35:43.099222Z",
"updated_at": "2022-09-04T14:35:43.099240Z",
"structure_string": "Ho2\n1.0\n1.774826 -3.074088 0.000000\n1.774826 3.074088 0.000000\n0.000000 0.000000 5.546835\nHo\n2\ndirect\n0.333334 0.666668 0.749999 Ho\n0.666668 0.333334 0.250000 Ho\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 9.049660231850865,
"density_atomic": 0.03304324381666973,
"volume": 60.5267452280528,
"volume_molar": 18.225028975399614,
"formula_full": "Ho2",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy_above_hull": 0.00869,
"spacegroup": 194
},
{
"id": "jvasp-3828",
"created_at": "2022-09-04T14:35:43.103486Z",
"updated_at": "2022-09-04T14:35:43.103514Z",
"structure_string": "K2 Tc1 Cl6\n1.0\n5.969062 -0.000000 3.446239\n1.989688 5.627685 3.446239\n0.000000 0.000000 6.892479\nK Tc Cl\n2 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tc\n0.242680 0.757320 0.757320 Cl\n0.242680 0.757320 0.242680 Cl\n0.757320 0.242680 0.757320 Cl\n0.757320 0.242680 0.242680 Cl\n0.757320 0.757320 0.242680 Cl\n0.242680 0.242680 0.757320 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Tc",
"Cl"
],
"chemical_system": "Cl-K-Tc",
"density": 2.78927941984899,
"density_atomic": 0.038871489941483116,
"volume": 231.53215926501764,
"volume_molar": 15.49243615067416,
"formula_full": "K2 Tc1 Cl6",
"formula_reduced": "K2TcCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3946046561111111,
"spacegroup": 225
},
{
"id": "jvasp-91964",
"created_at": "2022-09-04T14:35:43.103531Z",
"updated_at": "2022-09-04T14:35:43.103559Z",
"structure_string": "Ag6 Sb2\n1.0\n4.858541 -0.000000 0.000000\n-0.000000 5.398462 0.000000\n0.000000 0.000000 6.031634\nAg Sb\n6 2\ndirect\n0.750000 0.682197 0.250000 Ag\n0.250000 0.317803 0.749999 Ag\n0.250000 0.846272 0.501262 Ag\n0.750000 0.153728 0.498738 Ag\n0.250000 0.846272 0.998737 Ag\n0.750000 0.153728 0.001262 Ag\n0.250000 0.337843 0.250000 Sb\n0.750000 0.662157 0.749999 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb",
"density": 9.349403120956499,
"density_atomic": 0.05056838521592475,
"volume": 158.20161086497734,
"volume_molar": 11.908904613595487,
"formula_full": "Ag6 Sb2",
"formula_reduced": "Ag3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.21210197,
"spacegroup": 59
},
{
"id": "jvasp-71286",
"created_at": "2022-09-04T14:35:43.104917Z",
"updated_at": "2022-09-04T14:35:43.104938Z",
"structure_string": "Be2 P1 Cl1\n1.0\n3.207529 0.000000 0.000000\n0.000000 3.207529 0.000000\n0.000000 0.000000 5.643711\nBe P Cl\n2 1 1\ndirect\n0.000000 0.000000 0.857768 Be\n0.500000 0.500000 0.287394 Be\n0.500000 0.500000 0.922104 P\n0.000000 0.000000 0.432733 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Cl"
],
"chemical_system": "Be-Cl-P",
"density": 2.4151749309407635,
"density_atomic": 0.06888966003449064,
"volume": 58.063866159266,
"volume_molar": 8.74171937702251,
"formula_full": "Be2 P1 Cl1",
"formula_reduced": "Be2PCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6477679418749998,
"spacegroup": 99
}
]
}