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=371",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=369",
"results": [
{
"id": "jvasp-70737",
"created_at": "2022-09-04T14:35:41.592592Z",
"updated_at": "2022-09-04T14:35:41.592627Z",
"structure_string": "Be1 Re2 Br1\n1.0\n3.002411 0.000000 -0.000000\n0.000000 3.002411 0.000000\n-0.000000 0.000000 7.796916\nBe Re Br\n1 2 1\ndirect\n0.000000 0.000000 0.395826 Be\n0.000000 0.000000 0.049739 Re\n0.500000 0.500000 0.252769 Re\n0.500000 0.500000 0.801667 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Br"
],
"chemical_system": "Be-Br-Re",
"density": 10.899280404268819,
"density_atomic": 0.05691108309050481,
"volume": 70.28507950971276,
"volume_molar": 10.581666053382051,
"formula_full": "Be1 Re2 Br1",
"formula_reduced": "BeRe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.99704905125,
"spacegroup": 99
},
{
"id": "jvasp-71065",
"created_at": "2022-09-04T14:35:42.531846Z",
"updated_at": "2022-09-04T14:35:42.531865Z",
"structure_string": "Be1 Re2 Br1\n1.0\n3.002538 -0.000000 -0.000000\n0.000000 3.002538 0.000000\n0.000000 0.000000 7.800820\nBe Re Br\n1 2 1\ndirect\n0.000000 0.000000 0.395618 Be\n0.000000 0.000000 0.049796 Re\n0.500000 0.500000 0.252713 Re\n0.500000 0.500000 0.801872 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Br"
],
"chemical_system": "Be-Br-Re",
"density": 10.892904203350314,
"density_atomic": 0.05687778947048449,
"volume": 70.32622113550518,
"volume_molar": 10.58786006992248,
"formula_full": "Be1 Re2 Br1",
"formula_reduced": "BeRe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.99704405125,
"spacegroup": 99
},
{
"id": "jvasp-116535",
"created_at": "2022-09-04T14:38:42.661600Z",
"updated_at": "2022-09-04T14:38:42.661619Z",
"structure_string": "Ho2 B8 Rh8\n1.0\n5.322249 -0.000000 0.000000\n0.000000 5.322249 0.000000\n-0.000000 -0.000000 7.458362\nHo B Rh\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.500000 0.831847 0.852121 B\n0.331847 0.000000 0.352121 B\n0.668153 0.000000 0.352121 B\n0.500000 0.168153 0.852121 B\n-0.000000 0.331847 0.647879 B\n0.168153 0.500000 0.147879 B\n0.831847 0.500000 0.147879 B\n-0.000000 0.668153 0.647879 B\n0.500000 0.748581 0.146161 Rh\n0.251419 0.500000 0.853838 Rh\n0.748581 0.500000 0.853838 Rh\n-0.000000 0.751420 0.353838 Rh\n-0.000000 0.248581 0.353838 Rh\n0.248581 0.000000 0.646161 Rh\n0.751420 0.000000 0.646161 Rh\n0.500000 0.251419 0.146161 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ho",
"B",
"Rh"
],
"chemical_system": "B-Ho-Rh",
"density": 9.743034712365125,
"density_atomic": 0.0851998182869734,
"volume": 211.2680562225108,
"volume_molar": 7.068255403686411,
"formula_full": "Ho2 B8 Rh8",
"formula_reduced": "Ho(BRh)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 3.996610877777777,
"spacegroup": 137
},
{
"id": "jvasp-54854",
"created_at": "2022-09-04T14:37:51.990499Z",
"updated_at": "2022-09-04T14:37:51.990516Z",
"structure_string": "Dy1 B2 Rh2 C1\n1.0\n3.583273 0.000000 -1.242492\n-0.430832 3.557278 -1.242492\n0.009834 0.011097 5.816573\nDy B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.644016 0.644017 0.288033 B\n0.355983 0.355984 0.711967 B\n0.749999 0.250001 0.500000 Rh\n0.250000 0.750001 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Dy",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Dy-Rh",
"density": 8.990234601253928,
"density_atomic": 0.08081797264574626,
"volume": 74.24091205925346,
"volume_molar": 7.451487042860097,
"formula_full": "Dy1 B2 Rh2 C1",
"formula_reduced": "DyB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.996522944444444,
"spacegroup": 139
},
{
"id": "jvasp-56958",
"created_at": "2022-09-04T14:37:30.412877Z",
"updated_at": "2022-09-04T14:37:30.412897Z",
"structure_string": "Ho1 B2 Rh2 C1\n1.0\n3.578223 -0.000000 -1.231417\n-0.423782 3.553039 -1.231417\n0.000498 0.000561 5.815917\nHo B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.643874 0.643874 0.287747 B\n0.356126 0.356125 0.712252 B\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ho-Rh",
"density": 9.080666591238762,
"density_atomic": 0.0811403053430097,
"volume": 73.94598744281043,
"volume_molar": 7.421885750296615,
"formula_full": "Ho1 B2 Rh2 C1",
"formula_reduced": "HoB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.995879455555556,
"spacegroup": 139
},
{
"id": "jvasp-28591",
"created_at": "2022-09-04T14:37:43.507147Z",
"updated_at": "2022-09-04T14:37:43.507172Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.224755 0.000000 -0.000000\n-1.612379 2.790920 0.100388\n-0.000001 0.953638 25.398904\nMo W Se S\n3 1 2 6\ndirect\n0.291164 0.582327 0.001093 Mo\n0.458981 0.917963 0.500484 Mo\n0.540211 0.080417 0.255244 Mo\n0.709648 0.419293 0.746099 W\n0.647036 0.294068 0.933621 Se\n0.601957 0.203913 0.068565 Se\n0.186391 0.372783 0.316566 S\n0.355687 0.711376 0.807816 S\n0.812805 0.625607 0.439156 S\n0.771797 0.543591 0.561895 S\n0.227397 0.454796 0.193808 S\n0.396934 0.793866 0.684404 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.979059809223083,
"density_atomic": 0.05256650212933803,
"volume": 228.28226178098026,
"volume_molar": 11.456232612135263,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.9957453694444447,
"spacegroup": 160
},
{
"id": "jvasp-91330",
"created_at": "2022-09-04T14:36:01.274760Z",
"updated_at": "2022-09-04T14:36:01.274786Z",
"structure_string": "Cr6 B14 Br2 O26\n1.0\n7.457896 -0.000000 4.305819\n2.485966 7.031372 4.305819\n0.000000 0.000000 8.611637\nCr B Br O\n6 14 2 26\ndirect\n0.500001 0.500000 -0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.080223 0.759334 0.080222 B\n0.250001 0.750000 0.750000 B\n0.250001 0.750000 0.250000 B\n0.750001 0.250000 0.750000 B\n0.250000 0.250000 0.750000 B\n0.750001 0.250000 0.250000 B\n0.080222 0.080222 0.080222 B\n0.580223 0.580222 0.259334 B\n0.259334 0.580222 0.580223 B\n0.580223 0.259334 0.580223 B\n0.759334 0.080222 0.080222 B\n0.080222 0.080222 0.759334 B\n0.580223 0.580222 0.580223 B\n0.750001 0.750000 0.250000 B\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 O\n0.704660 0.935754 0.101796 O\n0.101796 0.257790 0.704659 O\n0.204659 0.601795 0.435755 O\n0.757790 0.204659 0.435755 O\n0.757791 0.601795 0.204659 O\n0.757791 0.435754 0.601796 O\n0.935755 0.704659 0.257790 O\n0.257790 0.704659 0.101796 O\n0.257791 0.935754 0.704659 O\n0.935755 0.101796 0.704659 O\n0.704659 0.101796 0.257790 O\n0.101796 0.704659 0.935755 O\n0.704659 0.257790 0.935755 O\n0.101796 0.935754 0.257790 O\n0.935755 0.257790 0.101796 O\n0.204659 0.435754 0.757790 O\n0.435755 0.204659 0.601796 O\n0.435755 0.757790 0.204659 O\n0.601796 0.204659 0.757790 O\n0.204660 0.757790 0.601796 O\n0.601796 0.435754 0.204659 O\n0.257790 0.101796 0.935755 O\n0.601796 0.757790 0.435755 O\n0.435755 0.601795 0.757790 O\n0.500001 0.500000 0.500000 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Cr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-Cr-O",
"density": 3.8209727634847814,
"density_atomic": 0.10629164399494628,
"volume": 451.58770902331884,
"volume_molar": 5.665676560884059,
"formula_full": "Cr6 B14 Br2 O26",
"formula_reduced": "Cr3B7BrO13",
"formula_anonymous": "AB3C7D13",
"energy_above_hull": 3.995678328680557,
"spacegroup": 219
},
{
"id": "jvasp-70878",
"created_at": "2022-09-04T14:36:13.662567Z",
"updated_at": "2022-09-04T14:36:13.662585Z",
"structure_string": "Be1 Re2 Cl1\n1.0\n2.937108 0.000000 0.000000\n0.000000 2.937108 0.000000\n0.000000 0.000000 7.676209\nBe Re Cl\n1 2 1\ndirect\n0.000000 0.000000 0.407445 Be\n0.000000 0.000000 0.039374 Re\n0.500000 0.500000 0.250118 Re\n0.500000 0.500000 0.803065 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Cl"
],
"chemical_system": "Be-Cl-Re",
"density": 10.453763780628103,
"density_atomic": 0.060405066694347684,
"volume": 66.21961068663623,
"volume_molar": 9.969595415683091,
"formula_full": "Be1 Re2 Cl1",
"formula_reduced": "BeRe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.995649041875,
"spacegroup": 99
},
{
"id": "jvasp-71934",
"created_at": "2022-09-04T14:35:55.384635Z",
"updated_at": "2022-09-04T14:35:55.384657Z",
"structure_string": "Zr1 Be1 Cr2\n1.0\n3.621252 0.000000 0.000000\n0.000000 3.621252 -0.000000\n0.000000 0.000000 4.141347\nZr Be Cr\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Be\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Zr",
"density": 6.244620878912724,
"density_atomic": 0.0736547693721496,
"volume": 54.30741327543255,
"volume_molar": 8.176172176403687,
"formula_full": "Zr1 Be1 Cr2",
"formula_reduced": "ZrBeCr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.99544385,
"spacegroup": 123
},
{
"id": "jvasp-90672",
"created_at": "2022-09-04T14:35:58.424858Z",
"updated_at": "2022-09-04T14:35:58.424890Z",
"structure_string": "Ti4 Si2 C2\n1.0\n-1.532498 -2.654344 0.000000\n-1.532498 2.654344 -0.000000\n0.000000 -0.000000 -12.850448\nTi Si C\n4 2 2\ndirect\n0.666668 0.333333 0.591494 Ti\n0.333333 0.666668 0.408506 Ti\n0.333333 0.666668 0.091494 Ti\n0.666668 0.333333 0.908506 Ti\n0.666673 0.333329 0.250000 Si\n0.333329 0.666673 0.750000 Si\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Si",
"C"
],
"chemical_system": "C-Si-Ti",
"density": 4.314893156712192,
"density_atomic": 0.07652169830585948,
"volume": 104.54551032079509,
"volume_molar": 7.8698472372232615,
"formula_full": "Ti4 Si2 C2",
"formula_reduced": "Ti2SiC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.995336316666667,
"spacegroup": 194
},
{
"id": "jvasp-59689",
"created_at": "2022-09-04T14:38:29.551230Z",
"updated_at": "2022-09-04T14:38:29.551252Z",
"structure_string": "Co12 C4\n1.0\n4.435144 -0.000000 0.000000\n-0.000000 4.932284 0.000000\n0.000000 0.000000 6.692151\nCo C\n12 4\ndirect\n0.670980 0.818931 0.930581 Co\n0.170981 0.681068 0.069419 Co\n0.829018 0.318931 0.569419 Co\n0.329019 0.181068 0.430581 Co\n0.843856 0.037554 0.250000 Co\n0.343856 0.462446 0.750000 Co\n0.656143 0.537553 0.250000 Co\n0.156144 0.962446 0.750000 Co\n0.670980 0.818931 0.569419 Co\n0.170981 0.681068 0.430581 Co\n0.829018 0.318931 0.930581 Co\n0.329019 0.181068 0.069419 Co\n0.553571 0.118983 0.750000 C\n0.053572 0.381017 0.250000 C\n0.946427 0.618983 0.750000 C\n0.446428 0.881016 0.250000 C\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"C"
],
"chemical_system": "C-Co",
"density": 8.566693019368994,
"density_atomic": 0.10929453600089177,
"volume": 146.39341165115016,
"volume_molar": 5.510010820624064,
"formula_full": "Co12 C4",
"formula_reduced": "Co3C",
"formula_anonymous": "AB3",
"energy_above_hull": 3.995115675,
"spacegroup": 62
},
{
"id": "jvasp-39927",
"created_at": "2022-09-04T14:37:45.670868Z",
"updated_at": "2022-09-04T14:37:45.670880Z",
"structure_string": "Hf2 Zn1 Re1\n1.0\n0.000049 3.290766 3.290766\n3.290766 0.000049 3.290766\n3.290766 3.290766 0.000049\nHf Zn Re\n2 1 1\ndirect\n-0.000001 -0.000001 -0.000001 Hf\n0.500001 0.500001 0.500001 Hf\n0.750001 0.750001 0.750001 Zn\n0.250001 0.250001 0.250001 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"Re"
],
"chemical_system": "Hf-Re-Zn",
"density": 14.179695049381046,
"density_atomic": 0.05612400972123215,
"volume": 71.27074526335507,
"volume_molar": 10.730061501150688,
"formula_full": "Hf2 Zn1 Re1",
"formula_reduced": "Hf2ZnRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9945586,
"spacegroup": 225
}
]
}