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=-nelements&page=3407",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=3405",
"results": [
{
"id": "jvasp-11137",
"created_at": "2022-09-04T14:36:53.143724Z",
"updated_at": "2022-09-04T14:36:53.143735Z",
"structure_string": "Ti2 P4 S12\n1.0\n6.672968 -0.070113 -1.234195\n-2.785063 6.064392 -1.234195\n-0.065457 -0.100920 11.226196\nTi P S\n2 4 12\ndirect\n0.600351 0.100351 0.200701 Ti\n0.850351 0.850351 0.700700 Ti\n0.638267 0.512082 0.376619 P\n0.738353 0.864538 0.376619 P\n0.614538 0.988353 0.876619 P\n0.262082 0.888267 0.876619 P\n0.668188 0.709671 0.856970 S\n0.188783 0.147299 0.856970 S\n0.985228 0.030284 0.543766 S\n0.558539 0.513483 0.543766 S\n0.780283 0.235228 0.043766 S\n0.375757 0.308141 0.224793 S\n0.849037 0.916651 0.224793 S\n0.666651 0.099037 0.724793 S\n0.058141 0.625757 0.724793 S\n0.459671 0.918187 0.356970 S\n0.897300 0.438783 0.356970 S\n0.263483 0.808538 0.043766 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.2281914304232293,
"density_atomic": 0.039961791554730064,
"volume": 450.43025599460236,
"volume_molar": 15.069746689790717,
"formula_full": "Ti2 P4 S12",
"formula_reduced": "Ti(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.7125843703703705,
"spacegroup": 43
},
{
"id": "jvasp-100294",
"created_at": "2022-09-04T14:36:53.152816Z",
"updated_at": "2022-09-04T14:36:53.152841Z",
"structure_string": "Dy2 B6 Mo2\n1.0\n3.161115 0.000000 0.000000\n0.000000 5.313796 1.141834\n0.000000 -0.014687 6.880463\nDy B Mo\n2 6 2\ndirect\n0.250000 0.326312 0.708495 Dy\n0.749999 0.673688 0.291504 Dy\n0.250000 0.919819 0.524675 B\n0.749999 0.080182 0.475324 B\n0.250000 0.912523 0.004141 B\n0.749999 0.087477 0.995858 B\n0.250000 0.583648 0.006330 B\n0.749999 0.416352 0.993669 B\n0.250000 0.188430 0.220816 Mo\n0.749999 0.811570 0.779183 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"B",
"Mo"
],
"chemical_system": "B-Dy-Mo",
"density": 8.354500862237265,
"density_atomic": 0.08648444542690611,
"volume": 115.62772878565406,
"volume_molar": 6.963264585063126,
"formula_full": "Dy2 B6 Mo2",
"formula_reduced": "DyB3Mo",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.31348603,
"spacegroup": 11
},
{
"id": "jvasp-11753",
"created_at": "2022-09-04T14:36:53.157702Z",
"updated_at": "2022-09-04T14:36:53.157723Z",
"structure_string": "Ba2 W2 O8\n1.0\n-5.675744 -0.000160 -0.000039\n-0.000234 -5.675930 0.000125\n2.837488 2.837614 6.390545\nBa W O\n2 2 8\ndirect\n0.124994 0.375007 0.749999 Ba\n0.875004 0.624993 0.249999 Ba\n0.624984 0.875000 0.749998 W\n0.375013 0.125000 0.250000 W\n0.422594 0.814506 0.092231 O\n0.314503 0.669667 0.592229 O\n0.777751 0.922569 0.592240 O\n0.169667 0.277732 0.092221 O\n0.830330 0.722268 0.907777 O\n0.222247 0.077431 0.407758 O\n0.685494 0.330333 0.407769 O\n0.577404 0.185494 0.907767 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"W",
"O"
],
"chemical_system": "Ba-O-W",
"density": 6.213335572694116,
"density_atomic": 0.058288193807234455,
"volume": 205.87359491160998,
"volume_molar": 10.331664727707793,
"formula_full": "Ba2 W2 O8",
"formula_reduced": "BaWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7393249950000005,
"spacegroup": 88
},
{
"id": "jvasp-105142",
"created_at": "2022-09-04T14:36:53.163429Z",
"updated_at": "2022-09-04T14:36:53.163446Z",
"structure_string": "Ce1 Sm1 Tl2\n1.0\n4.739906 0.000000 2.736586\n1.579969 4.468826 2.736586\n0.000000 0.000000 5.473172\nCe Sm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750001 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Sm",
"Tl"
],
"chemical_system": "Ce-Sm-Tl",
"density": 10.015547749753445,
"density_atomic": 0.03450306852492116,
"volume": 115.93171769956771,
"volume_molar": 17.453928063384502,
"formula_full": "Ce1 Sm1 Tl2",
"formula_reduced": "CeSmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5210998937500001,
"spacegroup": 225
},
{
"id": "jvasp-51234",
"created_at": "2022-09-04T14:36:53.168749Z",
"updated_at": "2022-09-04T14:36:53.168767Z",
"structure_string": "Be2 Cd1 P1\n1.0\n0.000000 3.058233 3.058233\n3.058233 0.000000 3.058233\n3.058233 3.058233 -0.000000\nBe Cd P\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.749999 0.749999 0.749999 Be\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"P"
],
"chemical_system": "Be-Cd-P",
"density": 4.685279209588473,
"density_atomic": 0.06992271529874705,
"volume": 57.20601642699187,
"volume_molar": 8.612567081055433,
"formula_full": "Be2 Cd1 P1",
"formula_reduced": "Be2CdP",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3672693625,
"spacegroup": 225
},
{
"id": "jvasp-15371",
"created_at": "2022-09-04T14:36:53.182082Z",
"updated_at": "2022-09-04T14:36:53.182100Z",
"structure_string": "Y1 B2 Ru3\n1.0\n2.752543 -4.767545 -0.000000\n2.752543 4.767545 -0.000000\n0.000000 -0.000000 3.037815\nY B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.666667 0.333332 0.000000 B\n0.333332 0.666667 0.000000 B\n0.500000 -0.000001 0.499999 Ru\n0.499999 0.499999 0.499999 Ru\n-0.000001 0.500000 0.499999 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"B",
"Ru"
],
"chemical_system": "B-Ru-Y",
"density": 8.616960848287775,
"density_atomic": 0.07525424783311115,
"volume": 79.72971855762881,
"volume_molar": 8.002393131820416,
"formula_full": "Y1 B2 Ru3",
"formula_reduced": "YB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.613035352777778,
"spacegroup": 191
},
{
"id": "jvasp-102468",
"created_at": "2022-09-04T14:36:53.187921Z",
"updated_at": "2022-09-04T14:36:53.187942Z",
"structure_string": "Ce2 Hg1 Pb1\n1.0\n4.756599 -0.000000 2.746224\n1.585533 4.484564 2.746224\n-0.000000 -0.000000 5.492447\nCe Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.749999 0.750000 Ce\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Hg",
"Pb"
],
"chemical_system": "Ce-Hg-Pb",
"density": 9.751440640568248,
"density_atomic": 0.034141087448122595,
"volume": 117.16088440586442,
"volume_molar": 17.638983436455113,
"formula_full": "Ce2 Hg1 Pb1",
"formula_reduced": "Ce2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.641926605,
"spacegroup": 225
},
{
"id": "jvasp-58913",
"created_at": "2022-09-04T14:36:53.213998Z",
"updated_at": "2022-09-04T14:36:53.214027Z",
"structure_string": "K2 Bi8 Se13\n1.0\n4.206069 0.000979 -0.000021\n-0.002585 12.207945 0.093506\n-2.102948 -0.457621 13.711145\nK Bi Se\n2 8 13\ndirect\n0.586677 0.049951 0.173342 K\n0.413324 0.950049 0.826658 K\n0.558920 0.377914 0.117825 Bi\n0.281115 0.133689 0.562267 Bi\n0.718886 0.866310 0.437733 Bi\n0.074961 0.705575 0.149960 Bi\n0.925039 0.294425 0.850040 Bi\n0.188755 0.450912 0.377504 Bi\n0.811246 0.549088 0.622496 Bi\n0.441081 0.622086 0.882175 Bi\n0.482298 0.195915 0.964525 Se\n0.517703 0.804085 0.035475 Se\n0.370491 0.430035 0.740954 Se\n0.746886 0.355964 0.493748 Se\n0.253115 0.644035 0.506252 Se\n0.000001 0.500000 0.000000 Se\n0.140632 0.882908 0.281253 Se\n0.708058 0.089997 0.416141 Se\n0.291943 0.910003 0.583859 Se\n0.111482 0.268302 0.222947 Se\n0.859368 0.117092 0.718747 Se\n0.629510 0.569964 0.259046 Se\n0.888519 0.731698 0.777053 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"K",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Se",
"density": 6.547064395860458,
"density_atomic": 0.0326606313960545,
"volume": 704.2117380124645,
"volume_molar": 18.438531352849147,
"formula_full": "K2 Bi8 Se13",
"formula_reduced": "K2Bi8Se13",
"formula_anonymous": "A2B8C13",
"energy_above_hull": 1.2732171376811592,
"spacegroup": 12
},
{
"id": "jvasp-51161",
"created_at": "2022-09-04T14:36:53.220154Z",
"updated_at": "2022-09-04T14:36:53.220179Z",
"structure_string": "Re1 Sn2 Se1\n1.0\n-0.000000 3.451937 3.451937\n3.451937 -0.000000 3.451937\n3.451937 3.451937 0.000000\nRe Sn Se\n1 2 1\ndirect\n0.500001 0.500001 0.500001 Re\n0.000000 0.000000 0.000000 Sn\n0.750001 0.750001 0.750001 Sn\n0.250000 0.250000 0.250000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Re",
"Sn",
"Se"
],
"chemical_system": "Re-Se-Sn",
"density": 10.144759827179293,
"density_atomic": 0.04862296213533535,
"volume": 82.26565853529343,
"volume_molar": 12.385384385340812,
"formula_full": "Re1 Sn2 Se1",
"formula_reduced": "ReSn2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4696186916666667,
"spacegroup": 216
},
{
"id": "jvasp-102525",
"created_at": "2022-09-04T14:36:53.225230Z",
"updated_at": "2022-09-04T14:36:53.225254Z",
"structure_string": "Li1 Th1 Hg2\n1.0\n4.471408 -0.000000 2.581569\n1.490469 4.215684 2.581569\n-0.000000 -0.000000 5.163137\nLi Th Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Hg\n0.750001 0.749999 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Th",
"Hg"
],
"chemical_system": "Hg-Li-Th",
"density": 10.922221908323941,
"density_atomic": 0.04109925915388158,
"volume": 97.32535530685408,
"volume_molar": 14.652674729372206,
"formula_full": "Li1 Th1 Hg2",
"formula_reduced": "LiThHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1127087,
"spacegroup": 225
},
{
"id": "jvasp-9732",
"created_at": "2022-09-04T14:36:53.227523Z",
"updated_at": "2022-09-04T14:36:53.227555Z",
"structure_string": "Cd2 S2 O8\n1.0\n4.731144 0.000000 0.000000\n0.000000 4.770335 0.000000\n0.000000 0.000000 6.599526\nCd S O\n2 2 8\ndirect\n0.859819 0.751451 0.500000 Cd\n0.140180 0.251450 0.000000 Cd\n0.337264 0.231104 0.500000 S\n0.662735 0.731105 0.000000 S\n0.802341 0.599790 0.820651 O\n0.197658 0.099789 0.679350 O\n0.197658 0.099789 0.320651 O\n0.802341 0.599790 0.179350 O\n0.355862 0.673695 0.000000 O\n0.644137 0.173694 0.500000 O\n0.698980 0.039774 0.000000 O\n0.301019 0.539775 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.648387980364564,
"density_atomic": 0.0805663069123037,
"volume": 148.9456381941645,
"volume_molar": 7.474763323277424,
"formula_full": "Cd2 S2 O8",
"formula_reduced": "CdSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.543630625,
"spacegroup": 31
},
{
"id": "jvasp-106847",
"created_at": "2022-09-04T14:36:53.229025Z",
"updated_at": "2022-09-04T14:36:53.229043Z",
"structure_string": "Al3 Si3 Mo3\n1.0\n4.768829 0.000000 0.000000\n-2.384414 4.129928 0.000000\n-0.000000 0.000000 6.614970\nAl Si Mo\n3 3 3\ndirect\n0.332434 0.166217 0.500000 Al\n0.833783 0.166217 0.166667 Al\n0.833784 0.667567 0.833333 Al\n0.675765 0.837882 0.500000 Si\n0.162120 0.837882 0.166667 Si\n0.162119 0.324237 0.833333 Si\n0.010556 0.505278 0.500000 Mo\n0.494723 0.505278 0.166667 Mo\n0.494724 0.989445 0.833333 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Al",
"Si",
"Mo"
],
"chemical_system": "Al-Mo-Si",
"density": 5.774115059951049,
"density_atomic": 0.06908128387230893,
"volume": 130.28130769306142,
"volume_molar": 8.71747081471652,
"formula_full": "Al3 Si3 Mo3",
"formula_reduced": "AlSiMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0826491000000003,
"spacegroup": 153
}
]
}