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=3472",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3470",
"results": [
{
"id": "jvasp-93446",
"created_at": "2022-09-04T14:35:42.122765Z",
"updated_at": "2022-09-04T14:35:42.122793Z",
"structure_string": "Sr2 Mn2 Sn2\n1.0\n4.694893 0.000000 0.000000\n0.000000 4.694893 0.000000\n0.000000 0.000000 7.465958\nSr Mn Sn\n2 2 2\ndirect\n0.000000 0.500000 0.324107 Sr\n0.500000 0.000000 0.675893 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.798455 Sn\n0.500000 0.000000 0.201545 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Sr",
"density": 5.272643988934067,
"density_atomic": 0.03645980237235119,
"volume": 164.56479765644644,
"volume_molar": 16.51720626046731,
"formula_full": "Sr2 Mn2 Sn2",
"formula_reduced": "SrMnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1383784171264368,
"spacegroup": 129
},
{
"id": "jvasp-96541",
"created_at": "2022-09-04T14:35:42.093591Z",
"updated_at": "2022-09-04T14:35:42.093614Z",
"structure_string": "Mg4 B48 C2\n1.0\n5.085742 0.000000 0.000000\n-0.000000 8.967342 0.000000\n0.000000 0.000000 8.967342\nMg B C\n4 48 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.000000 0.500000 Mg\n0.250000 0.500000 0.000000 Mg\n0.412788 0.407359 0.730867 B\n0.914839 0.248375 0.735490 B\n0.375407 0.883945 0.128257 B\n0.901676 0.579525 0.825137 B\n0.901676 0.420475 0.174863 B\n0.417158 0.694055 0.098506 B\n0.584688 0.577587 0.740946 B\n0.624592 0.871742 0.883945 B\n0.417158 0.305944 0.901493 B\n0.412788 0.592640 0.269132 B\n0.401676 0.079525 0.674862 B\n0.401676 0.920475 0.325137 B\n0.415312 0.259054 0.577587 B\n0.587212 0.269132 0.407359 B\n0.582842 0.098506 0.305944 B\n0.917158 0.194056 0.401493 B\n0.585161 0.764510 0.251625 B\n0.087212 0.230868 0.907359 B\n0.098324 0.174863 0.579525 B\n0.624592 0.128257 0.116054 B\n0.098324 0.825137 0.420475 B\n0.598323 0.674862 0.920475 B\n0.124592 0.371743 0.616054 B\n0.912788 0.092641 0.230868 B\n0.414839 0.748375 0.764510 B\n0.915312 0.240946 0.077587 B\n0.875407 0.616054 0.628257 B\n0.914839 0.751625 0.264510 B\n0.414839 0.251625 0.235490 B\n0.082842 0.401493 0.805944 B\n0.085161 0.264510 0.248375 B\n0.587212 0.730867 0.592640 B\n0.084688 0.922413 0.240946 B\n0.598323 0.325137 0.079525 B\n0.415312 0.740946 0.422413 B\n0.915312 0.759054 0.922413 B\n0.912788 0.907359 0.769132 B\n0.875407 0.383945 0.371743 B\n0.084688 0.077587 0.759054 B\n0.584688 0.422413 0.259054 B\n0.582842 0.901493 0.694055 B\n0.585161 0.235490 0.748375 B\n0.375407 0.116054 0.871742 B\n0.917158 0.805944 0.598506 B\n0.124592 0.628257 0.383945 B\n0.087212 0.769132 0.092641 B\n0.085161 0.735490 0.751625 B\n0.082842 0.598506 0.194056 B\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Mg",
"B",
"C"
],
"chemical_system": "B-C-Mg",
"density": 2.5993347762295675,
"density_atomic": 0.13204196188575448,
"volume": 408.9609032522703,
"volume_molar": 4.560778008744284,
"formula_full": "Mg4 B48 C2",
"formula_reduced": "Mg2B24C",
"formula_anonymous": "AB2C24",
"energy_above_hull": 5.300892225925925,
"spacegroup": 118
},
{
"id": "jvasp-64129",
"created_at": "2022-09-04T14:35:42.097982Z",
"updated_at": "2022-09-04T14:35:42.098000Z",
"structure_string": "K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Zn"
],
"chemical_system": "Ba-K-Zn",
"density": 2.9705686615919946,
"density_atomic": 0.02219186768403066,
"volume": 135.18465605122591,
"volume_molar": 27.136700911088944,
"formula_full": "K1 Ba1 Zn1",
"formula_reduced": "KBaZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-90753",
"created_at": "2022-09-04T14:35:42.099124Z",
"updated_at": "2022-09-04T14:35:42.099166Z",
"structure_string": "Ti4 Tl2 C2\n1.0\n-1.588002 -2.750458 0.000000\n-1.588002 2.750458 -0.000000\n0.000000 0.000000 -14.129053\nTi Tl C\n4 2 2\ndirect\n0.666665 0.333333 0.577883 Ti\n0.333333 0.666665 0.422117 Ti\n0.333333 0.666665 0.077883 Ti\n0.666665 0.333333 0.922117 Ti\n0.666687 0.333312 0.250000 Tl\n0.333312 0.666687 0.750000 Tl\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"C"
],
"chemical_system": "C-Ti-Tl",
"density": 8.398712406780184,
"density_atomic": 0.06481729077028323,
"volume": 123.42385658099364,
"volume_molar": 9.290947968409952,
"formula_full": "Ti4 Tl2 C2",
"formula_reduced": "Ti2TlC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.103397316666667,
"spacegroup": 194
},
{
"id": "jvasp-66404",
"created_at": "2022-09-04T14:35:42.098918Z",
"updated_at": "2022-09-04T14:35:42.098945Z",
"structure_string": "Ba4 Ga1 Ru1\n1.0\n0.000000 4.813178 4.813178\n4.813178 0.000000 4.813178\n4.813178 4.813178 -0.000000\nBa Ga Ru\n4 1 1\ndirect\n0.123872 0.625376 0.625376 Ba\n0.625376 0.625376 0.625376 Ba\n0.625376 0.123872 0.625376 Ba\n0.625376 0.625376 0.123872 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Ru"
],
"chemical_system": "Ba-Ga-Ru",
"density": 5.361875762402938,
"density_atomic": 0.026904534716642423,
"volume": 223.0107326958738,
"volume_molar": 22.38336705475477,
"formula_full": "Ba4 Ga1 Ru1",
"formula_reduced": "Ba4GaRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7275311174999999,
"spacegroup": 216
},
{
"id": "jvasp-63909",
"created_at": "2022-09-04T14:35:42.112747Z",
"updated_at": "2022-09-04T14:35:42.112764Z",
"structure_string": "Ba4 Co1 Sb1\n1.0\n-0.000000 4.874481 4.874481\n4.874481 -0.000000 4.874481\n4.874481 4.874481 0.000000\nBa Co Sb\n4 1 1\ndirect\n0.124371 0.625209 0.625209 Ba\n0.625209 0.625209 0.625209 Ba\n0.625209 0.124371 0.625209 Ba\n0.625209 0.625209 0.124371 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Sb"
],
"chemical_system": "Ba-Co-Sb",
"density": 5.2330818448305445,
"density_atomic": 0.025902167589515277,
"volume": 231.6408454722797,
"volume_molar": 23.249562953324617,
"formula_full": "Ba4 Co1 Sb1",
"formula_reduced": "Ba4CoSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8282568133333332,
"spacegroup": 216
},
{
"id": "jvasp-64090",
"created_at": "2022-09-04T14:35:42.117437Z",
"updated_at": "2022-09-04T14:35:42.117459Z",
"structure_string": "Ba4 Mn1 W1\n1.0\n0.000000 4.804736 4.804736\n4.804736 -0.000000 4.804736\n4.804736 4.804736 -0.000000\nBa Mn W\n4 1 1\ndirect\n0.124523 0.625160 0.625160 Ba\n0.625160 0.625160 0.625160 Ba\n0.625160 0.124523 0.625160 Ba\n0.625160 0.625160 0.124523 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"W"
],
"chemical_system": "Ba-Mn-W",
"density": 5.899078142277846,
"density_atomic": 0.027046599161120694,
"volume": 221.8393508276989,
"volume_molar": 22.26579661319042,
"formula_full": "Ba4 Mn1 W1",
"formula_reduced": "Ba4MnW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.378078520229885,
"spacegroup": 216
},
{
"id": "jvasp-67112",
"created_at": "2022-09-04T14:35:42.120339Z",
"updated_at": "2022-09-04T14:35:42.120364Z",
"structure_string": "Mn1 Be2 Si1\n1.0\n2.961487 0.000000 0.000000\n-0.000000 2.961487 -0.000000\n0.000000 0.000000 4.626757\nMn Be Si\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.771585 Be\n0.000000 0.000000 0.228415 Be\n0.500001 0.500001 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Si"
],
"chemical_system": "Be-Mn-Si",
"density": 4.135043443241263,
"density_atomic": 0.0985742858766904,
"volume": 40.57853388868293,
"volume_molar": 6.10924107280197,
"formula_full": "Mn1 Be2 Si1",
"formula_reduced": "MnBe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.758894510344827,
"spacegroup": 123
},
{
"id": "jvasp-67836",
"created_at": "2022-09-04T14:35:42.125312Z",
"updated_at": "2022-09-04T14:35:42.125343Z",
"structure_string": "Li1 Be1 Br1\n1.0\n-1.626401 1.626401 5.718185\n1.626401 -1.626401 5.718185\n1.626401 1.626401 -5.718185\nLi Be Br\n1 1 1\ndirect\n0.626481 0.626481 0.000000 Li\n0.992574 0.992574 0.000000 Be\n0.380948 0.380948 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Br"
],
"chemical_system": "Be-Br-Li",
"density": 2.6308754985843295,
"density_atomic": 0.049584712118864054,
"volume": 60.502519260541945,
"volume_molar": 12.145156244053156,
"formula_full": "Li1 Be1 Br1",
"formula_reduced": "LiBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7383534016666666,
"spacegroup": 107
},
{
"id": "jvasp-69121",
"created_at": "2022-09-04T14:35:42.125923Z",
"updated_at": "2022-09-04T14:35:42.125943Z",
"structure_string": "Ba2 La1 Nb1\n1.0\n-0.000000 4.185704 4.185704\n4.185704 -0.000000 4.185704\n4.185704 4.185704 0.000000\nBa La Nb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"La",
"Nb"
],
"chemical_system": "Ba-La-Nb",
"density": 5.734079758128896,
"density_atomic": 0.027272468968600583,
"volume": 146.6680557820156,
"volume_molar": 22.081391922870747,
"formula_full": "Ba2 La1 Nb1",
"formula_reduced": "Ba2LaNb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.922946585,
"spacegroup": 225
},
{
"id": "jvasp-71383",
"created_at": "2022-09-04T14:35:42.133458Z",
"updated_at": "2022-09-04T14:35:42.133486Z",
"structure_string": "Be2 In1 Bi1\n1.0\n3.525145 0.000000 -0.000000\n0.000000 3.525145 0.000000\n-0.000000 -0.000000 6.425786\nBe In Bi\n2 1 1\ndirect\n0.000000 0.000000 0.671200 Be\n0.000000 0.000000 0.328801 Be\n0.499999 0.499999 0.500000 In\n0.499999 0.499999 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Bi"
],
"chemical_system": "Be-Bi-In",
"density": 7.108367129300175,
"density_atomic": 0.05009331378666888,
"volume": 79.85097606109066,
"volume_molar": 12.02184544158196,
"formula_full": "Be2 In1 Bi1",
"formula_reduced": "Be2InBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1947791175,
"spacegroup": 123
},
{
"id": "jvasp-98528",
"created_at": "2022-09-04T14:35:42.134782Z",
"updated_at": "2022-09-04T14:35:42.134796Z",
"structure_string": "Hg12 P4 O16\n1.0\n7.531562 0.000000 -2.693055\n0.000000 8.203914 0.000000\n-0.121299 0.000000 9.405602\nHg P O\n12 4 16\ndirect\n0.997828 0.221596 0.441478 Hg\n0.593668 0.388277 0.465623 Hg\n0.764395 0.947782 0.619857 Hg\n0.406331 0.611723 0.534377 Hg\n0.264396 0.552218 0.119856 Hg\n0.906331 0.888277 0.034378 Hg\n0.497828 0.278404 0.941478 Hg\n0.235604 0.052218 0.380144 Hg\n0.502171 0.721595 0.058522 Hg\n0.002171 0.778404 0.558522 Hg\n0.093668 0.111723 0.965623 Hg\n0.735604 0.447782 0.880144 Hg\n0.454353 0.938620 0.752570 P\n0.954353 0.561379 0.252571 P\n0.545646 0.061379 0.247430 P\n0.045646 0.438620 0.747430 P\n0.556905 0.062680 0.685191 O\n0.443095 0.937320 0.314809 O\n0.844250 0.468076 0.330527 O\n0.677687 0.161525 0.384662 O\n0.409478 0.184207 0.141596 O\n0.177687 0.338475 0.884661 O\n0.943095 0.562679 0.814809 O\n0.655750 0.968075 0.169474 O\n0.155750 0.531924 0.669474 O\n0.344250 0.031924 0.830526 O\n0.090522 0.684207 0.358404 O\n0.909478 0.315792 0.641596 O\n0.590521 0.815792 0.858405 O\n0.822313 0.661525 0.115339 O\n0.322313 0.838474 0.615339 O\n0.056905 0.437320 0.185191 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hg",
"P",
"O"
],
"chemical_system": "Hg-O-P",
"density": 8.000097094669146,
"density_atomic": 0.0553177559903944,
"volume": 578.4761045902984,
"volume_molar": 10.886451650435186,
"formula_full": "Hg12 P4 O16",
"formula_reduced": "Hg3PO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9600716625,
"spacegroup": 14
}
]
}