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=257",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=255",
"results": [
{
"id": "jvasp-110142",
"created_at": "2022-09-04T14:38:11.288618Z",
"updated_at": "2022-09-04T14:38:11.288636Z",
"structure_string": "Ti1 Nb1 B2\n1.0\n4.638949 0.001569 0.000000\n-3.464926 3.084499 0.000000\n0.000000 0.000000 3.102915\nTi Nb B\n1 1 2\ndirect\n0.855250 0.144751 -0.000000 Ti\n0.147206 0.852793 0.500001 Nb\n0.441607 0.558393 0.500001 B\n0.555936 0.444064 -0.000000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"B"
],
"chemical_system": "B-Nb-Ti",
"density": 6.071327818581134,
"density_atomic": 0.09005771158325936,
"volume": 44.4159631604891,
"volume_molar": 6.686979553585996,
"formula_full": "Ti1 Nb1 B2",
"formula_reduced": "TiNbB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.364173225,
"spacegroup": 38
},
{
"id": "jvasp-15213",
"created_at": "2022-09-04T14:37:15.148919Z",
"updated_at": "2022-09-04T14:37:15.148950Z",
"structure_string": "Sm1 B2 Ru3\n1.0\n2.770115 -4.797980 0.000000\n2.770115 4.797980 -0.000000\n0.000000 -0.000000 3.042935\nSm B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n0.000000 0.500000 0.499999 Ru\n0.500000 0.000000 0.499999 Ru\n0.500001 0.500001 0.499999 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"B",
"Ru"
],
"chemical_system": "B-Ru-Sm",
"density": 9.755270461585226,
"density_atomic": 0.0741775264211161,
"volume": 80.8870326294944,
"volume_molar": 8.118551602558803,
"formula_full": "Sm1 B2 Ru3",
"formula_reduced": "SmB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.363850923611111,
"spacegroup": 191
},
{
"id": "jvasp-123545",
"created_at": "2022-09-04T14:38:53.932723Z",
"updated_at": "2022-09-04T14:38:53.932747Z",
"structure_string": "Yb1 U3\n1.0\n2.828278 0.000000 0.000000\n0.000000 5.921123 0.000000\n0.000000 0.000000 5.095125\nYb U\n1 3\ndirect\n0.000000 0.109140 0.749999 Yb\n0.500000 0.403858 0.250000 U\n0.500000 0.607727 0.749999 U\n0.000000 0.879274 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"U"
],
"chemical_system": "U-Yb",
"density": 17.26448951112804,
"density_atomic": 0.04687906812208722,
"volume": 85.32592818574796,
"volume_molar": 12.84611875030564,
"formula_full": "Yb1 U3",
"formula_reduced": "YbU3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.363599675000001,
"spacegroup": 25
},
{
"id": "jvasp-107711",
"created_at": "2022-09-04T14:37:02.478093Z",
"updated_at": "2022-09-04T14:37:02.478112Z",
"structure_string": "Y2 Si2 Ru4 C2\n1.0\n5.889930 -0.010613 0.000000\n-4.656549 3.606653 0.000000\n-0.000000 -0.000000 7.142093\nY Si Ru C\n2 2 4 2\ndirect\n0.547109 0.452891 0.250000 Y\n0.452890 0.547109 0.750000 Y\n0.269025 0.730974 0.250000 Si\n0.730974 0.269026 0.750000 Si\n0.836181 0.163820 0.056307 Ru\n0.163819 0.836180 0.943693 Ru\n0.163819 0.836180 0.556307 Ru\n0.836181 0.163820 0.443693 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Y",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Ru-Si-Y",
"density": 7.265490834073714,
"density_atomic": 0.06606501425657371,
"volume": 151.36604619751463,
"volume_molar": 9.115476364860958,
"formula_full": "Y2 Si2 Ru4 C2",
"formula_reduced": "YSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.36313301,
"spacegroup": 63
},
{
"id": "jvasp-16647",
"created_at": "2022-09-04T14:37:46.570875Z",
"updated_at": "2022-09-04T14:37:46.570896Z",
"structure_string": "Ti6 Si2 B1\n1.0\n3.390940 -5.873280 -0.000000\n3.390940 5.873280 0.000000\n-0.000000 -0.000000 3.327207\nTi Si B\n6 2 1\ndirect\n0.238711 0.238711 0.500000 Ti\n0.761290 0.000000 0.500000 Ti\n0.000000 0.761290 0.500000 Ti\n0.602099 0.602099 0.000000 Ti\n0.397901 0.000000 0.000000 Ti\n0.000000 0.397901 0.000000 Ti\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"B"
],
"chemical_system": "B-Si-Ti",
"density": 4.43779675309274,
"density_atomic": 0.06790971090892853,
"volume": 132.52891051280727,
"volume_molar": 8.867863931972993,
"formula_full": "Ti6 Si2 B1",
"formula_reduced": "Ti6Si2B",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.363111087037037,
"spacegroup": 189
},
{
"id": "jvasp-15049",
"created_at": "2022-09-04T14:36:38.500669Z",
"updated_at": "2022-09-04T14:36:38.500696Z",
"structure_string": "Pu1 B1\n1.0\n3.160507 0.000000 1.824720\n1.053502 2.979755 1.824720\n0.000000 0.000000 3.649439\nPu B\n1 1\ndirect\n0.500000 0.500001 0.500000 Pu\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"B"
],
"chemical_system": "B-Pu",
"density": 12.311298095910567,
"density_atomic": 0.05819244074825243,
"volume": 34.36872511761868,
"volume_molar": 10.348665020002363,
"formula_full": "Pu1 B1",
"formula_reduced": "PuB",
"formula_anonymous": "AB",
"energy_above_hull": 4.362826291666666,
"spacegroup": 225
},
{
"id": "jvasp-21595",
"created_at": "2022-09-04T14:37:52.698116Z",
"updated_at": "2022-09-04T14:37:52.698136Z",
"structure_string": "Nb4 Co6 Si2\n1.0\n2.437596 -4.222038 0.000000\n2.437596 4.222038 -0.000000\n0.000000 -0.000000 7.544478\nNb Co Si\n4 6 2\ndirect\n0.666668 0.333334 0.939603 Nb\n0.333334 0.666668 0.439603 Nb\n0.666668 0.333334 0.560398 Nb\n0.333334 0.666668 0.060398 Nb\n0.170209 0.829793 0.750000 Co\n0.659585 0.829793 0.750000 Co\n0.829793 0.170209 0.250000 Co\n0.170208 0.340416 0.750000 Co\n0.829793 0.659585 0.250000 Co\n0.340416 0.170208 0.250000 Co\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Si"
],
"chemical_system": "Co-Nb-Si",
"density": 8.355588632995303,
"density_atomic": 0.07727485299737352,
"volume": 155.2898457200283,
"volume_molar": 7.793144246039116,
"formula_full": "Nb4 Co6 Si2",
"formula_reduced": "Nb2Co3Si",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.362741683333334,
"spacegroup": 194
},
{
"id": "jvasp-67833",
"created_at": "2022-09-04T14:36:13.167785Z",
"updated_at": "2022-09-04T14:36:13.167813Z",
"structure_string": "Be1 In1 W2\n1.0\n3.229486 0.000000 0.000000\n0.000000 3.229486 0.000000\n-0.000000 0.000000 6.212324\nBe In W\n1 1 2\ndirect\n0.000000 0.000000 0.459317 Be\n0.500001 0.500001 0.729512 In\n0.000000 0.000000 0.050388 W\n0.500001 0.500001 0.260782 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"W"
],
"chemical_system": "Be-In-W",
"density": 12.59681368941117,
"density_atomic": 0.06173608439415363,
"volume": 64.79192905176859,
"volume_molar": 9.754652921542094,
"formula_full": "Be1 In1 W2",
"formula_reduced": "BeInW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.3627315175,
"spacegroup": 99
},
{
"id": "jvasp-41224",
"created_at": "2022-09-04T14:37:37.066640Z",
"updated_at": "2022-09-04T14:37:37.066666Z",
"structure_string": "Mn1 V1 Ru2\n1.0\n0.000000 3.000849 3.000849\n3.000849 -0.000000 3.000849\n3.000849 3.000849 0.000000\nMn V Ru\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mn\n0.749999 0.749999 0.749999 V\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Ru"
],
"chemical_system": "Mn-Ru-V",
"density": 9.463786818142278,
"density_atomic": 0.07401122076351438,
"volume": 54.04585897564193,
"volume_molar": 8.136794256160629,
"formula_full": "Mn1 V1 Ru2",
"formula_reduced": "MnVRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.362723110344827,
"spacegroup": 225
},
{
"id": "jvasp-90679",
"created_at": "2022-09-04T14:35:42.193066Z",
"updated_at": "2022-09-04T14:35:42.193094Z",
"structure_string": "Os4 C4\n1.0\n4.494072 0.000000 0.000000\n0.000000 4.494072 -0.000000\n-0.000000 -0.000000 4.494072\nOs C\n4 4\ndirect\n0.184855 0.684855 0.815144 Os\n0.684855 0.815144 0.184855 Os\n0.815144 0.184855 0.684855 Os\n0.315144 0.315144 0.315144 Os\n0.445481 0.945481 0.554518 C\n0.945481 0.554518 0.445481 C\n0.554518 0.445481 0.945481 C\n0.054519 0.054519 0.054519 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 14.799858751168758,
"density_atomic": 0.08813936330170574,
"volume": 90.76534819766707,
"volume_molar": 6.832521287209542,
"formula_full": "Os4 C4",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy_above_hull": 4.362572500000001,
"spacegroup": 198
},
{
"id": "jvasp-8081",
"created_at": "2022-09-04T14:37:10.176432Z",
"updated_at": "2022-09-04T14:37:10.176455Z",
"structure_string": "Er1 B2 Ir3\n1.0\n3.165132 -0.028718 0.016558\n0.028592 4.718386 2.721010\n-0.028459 0.003016 5.446700\nEr B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000001 0.666666 0.666669 B\n-0.000000 0.333336 0.333331 B\n0.499999 0.000000 0.500000 Ir\n0.499999 0.500000 0.000000 Ir\n0.499999 0.500001 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"B",
"Ir"
],
"chemical_system": "B-Er-Ir",
"density": 15.63092788646207,
"density_atomic": 0.07377743684722292,
"volume": 81.32567701456883,
"volume_molar": 8.1625779064005,
"formula_full": "Er1 B2 Ir3",
"formula_reduced": "ErB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.361058077777777,
"spacegroup": 191
},
{
"id": "jvasp-33314",
"created_at": "2022-09-04T14:36:46.773960Z",
"updated_at": "2022-09-04T14:36:46.773979Z",
"structure_string": "Zn2 H16 C4 S4 N12\n1.0\n6.631783 0.000000 -1.981988\n0.000000 14.920772 0.000000\n-0.049822 0.000000 4.188360\nZn H C S N\n2 16 4 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.220656 0.529197 0.405444 H\n0.279344 0.029197 0.594556 H\n0.779344 0.470802 0.594555 H\n0.720656 0.970802 0.405444 H\n0.246662 0.626336 0.607448 H\n0.253338 0.126336 0.392552 H\n0.753338 0.373664 0.392551 H\n0.746662 0.873664 0.607448 H\n0.366948 0.658984 0.186750 H\n0.133052 0.158984 0.813249 H\n0.633052 0.341016 0.813249 H\n0.866948 0.841016 0.186750 H\n0.577612 0.628262 0.476313 H\n0.922388 0.128262 0.523686 H\n0.422388 0.371738 0.523687 H\n0.077612 0.871738 0.476313 H\n0.125019 0.373683 0.048568 C\n0.374982 0.873683 0.951431 C\n0.625018 0.126317 0.048568 C\n0.874981 0.626316 0.951431 C\n0.492256 0.207627 0.130519 S\n0.007744 0.707627 0.869481 S\n0.507743 0.792373 0.869480 S\n0.992256 0.292373 0.130519 S\n0.276597 0.933787 0.006075 N\n0.776597 0.566213 0.006075 N\n0.723403 0.066213 0.993924 N\n0.325917 0.574041 0.543264 N\n0.174084 0.074041 0.456736 N\n0.440367 0.605390 0.327684 N\n0.825916 0.925959 0.543263 N\n0.059633 0.105390 0.672316 N\n0.559633 0.394610 0.672316 N\n0.940367 0.894610 0.327683 N\n0.674083 0.425959 0.456736 N\n0.223403 0.433787 0.993925 N\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S-Zn",
"density": 1.9756131892482107,
"density_atomic": 0.09201628370657385,
"volume": 412.97038382006724,
"volume_molar": 6.544646792304399,
"formula_full": "Zn2 H16 C4 S4 N12",
"formula_reduced": "ZnH8C2(SN3)2",
"formula_anonymous": "AB2C2D6E8",
"energy_above_hull": 4.360972099999999,
"spacegroup": 14
}
]
}