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=646",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=644",
"results": [
{
"id": "jvasp-69635",
"created_at": "2022-09-04T14:35:43.685546Z",
"updated_at": "2022-09-04T14:35:43.685563Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n3.542283 0.000000 0.000000\n-0.000000 3.542283 0.000000\n-0.000000 -0.000000 3.770346\nMn Be Nb\n1 2 1\ndirect\n0.500000 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Nb"
],
"chemical_system": "Be-Mn-Nb",
"density": 5.821917606693241,
"density_atomic": 0.08454973969272819,
"volume": 47.309430100398345,
"volume_molar": 7.122601183499494,
"formula_full": "Mn1 Be2 Nb1",
"formula_reduced": "MnBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.359557210344827,
"spacegroup": 123
},
{
"id": "jvasp-44359",
"created_at": "2022-09-04T14:36:53.130997Z",
"updated_at": "2022-09-04T14:36:53.131028Z",
"structure_string": "Ta2 V2 O8\n1.0\n0.000000 4.716034 3.020678\n0.000000 4.716034 -3.020678\n-4.716034 0.000000 -3.020678\nTa V O\n2 2 8\ndirect\n0.759339 0.740660 0.500000 Ta\n0.509339 0.490660 0.000000 Ta\n0.245786 0.254214 0.500000 V\n0.995786 0.004213 0.000000 V\n0.542169 0.254877 0.797047 O\n0.054185 0.747687 0.801871 O\n0.995122 0.301925 0.702952 O\n0.502312 0.799558 0.698128 O\n0.995122 0.707829 0.297047 O\n0.502313 0.195814 0.301871 O\n0.948074 0.254876 0.202953 O\n0.450441 0.747686 0.198128 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"V",
"O"
],
"chemical_system": "O-Ta-V",
"density": 7.313355168615414,
"density_atomic": 0.08930853449887294,
"volume": 134.3656579668927,
"volume_molar": 6.743074213222028,
"formula_full": "Ta2 V2 O8",
"formula_reduced": "TaVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.3594162333333326,
"spacegroup": 109
},
{
"id": "jvasp-59741",
"created_at": "2022-09-04T14:37:06.829198Z",
"updated_at": "2022-09-04T14:37:06.829211Z",
"structure_string": "Hf1 Mn6 Ge6\n1.0\n2.560748 -4.435345 -0.000000\n2.560748 4.435345 -0.000000\n-0.000000 -0.000000 8.090757\nHf Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.249174 Mn\n0.000000 0.500000 0.750826 Mn\n0.500000 0.000000 0.750826 Mn\n0.500000 0.500000 0.750826 Mn\n0.500000 0.000000 0.249174 Mn\n0.500000 0.500000 0.249174 Mn\n0.000000 0.000000 0.337422 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.500000 Ge\n0.000000 0.000000 0.662578 Ge\n0.666667 0.333334 0.000000 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Ge"
],
"chemical_system": "Ge-Hf-Mn",
"density": 8.528811007753806,
"density_atomic": 0.07073428208690251,
"volume": 183.7864132702796,
"volume_molar": 8.51375115760889,
"formula_full": "Hf1 Mn6 Ge6",
"formula_reduced": "Hf(MnGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.3591732421750664,
"spacegroup": 191
},
{
"id": "jvasp-112698",
"created_at": "2022-09-04T14:38:41.774240Z",
"updated_at": "2022-09-04T14:38:41.774269Z",
"structure_string": "Ca3 Mg2 Fe1 C6 O18\n1.0\n4.845328 -0.003600 -0.007498\n-2.420066 5.386620 -1.022657\n0.015407 0.058882 12.384681\nCa Mg Fe C O\n3 2 1 6 18\ndirect\n0.661167 0.831896 0.831559 Ca\n0.338830 0.168103 0.168437 Ca\n-0.000002 0.500000 0.499998 Ca\n0.666590 0.834122 0.333586 Mg\n0.333407 0.165878 0.666410 Mg\n-0.000002 0.500000 -0.000002 Fe\n0.009560 0.518664 0.248927 C\n0.340610 0.184707 0.913633 C\n0.676980 0.851474 0.580794 C\n0.323018 0.148526 0.419202 C\n0.659387 0.815292 0.086363 C\n0.990437 0.481336 0.751069 C\n0.209181 0.601512 0.332091 O\n0.749290 0.530041 0.259742 O\n0.066753 0.415011 0.155947 O\n0.408806 0.094179 0.820151 O\n0.735080 0.754966 0.486556 O\n0.532885 0.264911 0.999113 O\n0.876336 0.930859 0.663853 O\n0.924961 0.812140 0.077236 O\n0.467113 0.735087 0.000883 O\n0.585006 0.140336 0.406846 O\n0.933244 0.584989 0.844050 O\n0.264917 0.245034 0.513440 O\n0.591192 0.905821 0.179846 O\n0.414992 0.859665 0.593150 O\n0.790816 0.398489 0.667906 O\n0.123661 0.069141 0.336144 O\n0.250708 0.469959 0.740254 O\n0.075036 0.187860 0.922760 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"Fe",
"C",
"O"
],
"chemical_system": "C-Ca-Fe-Mg-O",
"density": 3.00220277309259,
"density_atomic": 0.09275719203468334,
"volume": 323.4250556957625,
"volume_molar": 6.492370702369072,
"formula_full": "Ca3 Mg2 Fe1 C6 O18",
"formula_reduced": "Ca3Mg2Fe(CO3)6",
"formula_anonymous": "AB2C3D6E18",
"energy_above_hull": 3.3590972620000006,
"spacegroup": 2
},
{
"id": "jvasp-107261",
"created_at": "2022-09-04T14:36:57.699626Z",
"updated_at": "2022-09-04T14:36:57.699650Z",
"structure_string": "Mn3 Sn1 H1\n1.0\n3.846709 -0.000000 0.000000\n0.000000 3.846709 0.000000\n0.000000 0.000000 3.846709\nMn Sn H\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"H"
],
"chemical_system": "H-Mn-Sn",
"density": 8.300654314599026,
"density_atomic": 0.08784195718512813,
"volume": 56.920407516221786,
"volume_molar": 6.8556541235849915,
"formula_full": "Mn3 Sn1 H1",
"formula_reduced": "Mn3SnH",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.3590866848275858,
"spacegroup": 221
},
{
"id": "jvasp-32826",
"created_at": "2022-09-04T14:38:03.933697Z",
"updated_at": "2022-09-04T14:38:03.933717Z",
"structure_string": "C6 N6 Cl6\n1.0\n6.699167 0.027272 3.155423\n2.610993 6.169465 3.155423\n0.064854 0.043166 7.337303\nC N Cl\n6 6 6\ndirect\n0.845688 0.154312 0.249999 C\n0.492620 0.326245 0.262219 C\n0.507380 0.673755 0.737780 C\n0.673755 0.507380 0.237780 C\n0.154312 0.845688 0.750000 C\n0.326245 0.492620 0.762219 C\n0.332248 0.859064 0.738305 N\n0.667752 0.140936 0.261694 N\n0.859065 0.332248 0.238305 N\n0.140935 0.667752 0.761694 N\n0.485059 0.514941 0.250000 N\n0.514941 0.485059 0.749999 N\n0.077668 0.922331 0.250000 Cl\n0.922332 0.077668 0.749999 Cl\n0.323727 0.256079 0.778419 Cl\n0.743921 0.676272 0.721580 Cl\n0.676272 0.743920 0.221580 Cl\n0.256079 0.323728 0.278419 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 2.035262246719774,
"density_atomic": 0.059817257106652755,
"volume": 300.9165058823481,
"volume_molar": 10.067564196838154,
"formula_full": "C6 N6 Cl6",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3589657724999995,
"spacegroup": 15
},
{
"id": "jvasp-41249",
"created_at": "2022-09-04T14:37:36.433871Z",
"updated_at": "2022-09-04T14:37:36.433893Z",
"structure_string": "Hf1 Ga1 Ru2\n1.0\n0.000000 3.134360 3.134360\n3.134360 -0.000000 3.134360\n3.134360 3.134360 0.000000\nHf Ga Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Hf\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Ru"
],
"chemical_system": "Ga-Hf-Ru",
"density": 12.142987080927943,
"density_atomic": 0.06495062981570514,
"volume": 61.585238070051716,
"volume_molar": 9.271874309899054,
"formula_full": "Hf1 Ga1 Ru2",
"formula_reduced": "HfGaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.35860908125,
"spacegroup": 225
},
{
"id": "jvasp-108920",
"created_at": "2022-09-04T14:38:03.181124Z",
"updated_at": "2022-09-04T14:38:03.181149Z",
"structure_string": "Ti1 V1 H4\n1.0\n2.922844 -0.002245 4.398720\n1.326515 2.604493 4.398720\n-0.003667 -0.002245 5.281264\nTi V H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499998 0.500002 V\n0.621670 0.621668 0.621674 H\n0.128299 0.128298 0.128299 H\n0.871699 0.871697 0.871705 H\n0.378328 0.378327 0.378331 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"H"
],
"chemical_system": "H-Ti-V",
"density": 4.239863660038793,
"density_atomic": 0.14896727666452464,
"volume": 40.277302064882626,
"volume_molar": 4.042593041129363,
"formula_full": "Ti1 V1 H4",
"formula_reduced": "TiVH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.357703755555556,
"spacegroup": 166
},
{
"id": "jvasp-19860",
"created_at": "2022-09-04T14:35:42.597382Z",
"updated_at": "2022-09-04T14:35:42.597409Z",
"structure_string": "V6 Au2\n1.0\n4.864013 -0.000000 0.000000\n0.000000 4.864013 -0.000000\n0.000000 -0.000000 4.864013\nV Au\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.000000 0.500000 0.750000 V\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Au"
],
"chemical_system": "Au-V",
"density": 10.094937368958268,
"density_atomic": 0.06951936651105241,
"volume": 115.07584722781004,
"volume_molar": 8.662536876026598,
"formula_full": "V6 Au2",
"formula_reduced": "V3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3575575425,
"spacegroup": 223
},
{
"id": "jvasp-17240",
"created_at": "2022-09-04T14:38:01.876131Z",
"updated_at": "2022-09-04T14:38:01.876157Z",
"structure_string": "Sm1 Mn2 Si2\n1.0\n3.718918 0.000000 -1.314493\n-0.464622 3.689780 -1.314493\n-0.002139 -0.002426 5.911911\nSm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.249999 0.500000 Mn\n0.250000 0.749999 0.500000 Mn\n0.623378 0.623378 0.246757 Si\n0.376622 0.376621 0.753244 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Sm",
"density": 6.478542655783865,
"density_atomic": 0.06165268895566991,
"volume": 81.09946353832429,
"volume_molar": 9.767847699765532,
"formula_full": "Sm1 Mn2 Si2",
"formula_reduced": "Sm(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.357540111551724,
"spacegroup": 139
},
{
"id": "jvasp-18048",
"created_at": "2022-09-04T14:38:11.523574Z",
"updated_at": "2022-09-04T14:38:11.523604Z",
"structure_string": "V6 Sn2\n1.0\n4.955158 -0.000000 -0.000000\n-0.000000 4.955158 -0.000000\n0.000000 0.000000 4.955158\nV Sn\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.000000 0.500000 0.750000 V\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Sn"
],
"chemical_system": "Sn-V",
"density": 7.411934782541254,
"density_atomic": 0.06575328671653669,
"volume": 121.6669219059438,
"volume_molar": 9.158691619419013,
"formula_full": "V6 Sn2",
"formula_reduced": "V3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3566760749999998,
"spacegroup": 223
},
{
"id": "jvasp-85184",
"created_at": "2022-09-04T14:37:08.655872Z",
"updated_at": "2022-09-04T14:37:08.655893Z",
"structure_string": "La1 Al2 B1 Ru2\n1.0\n4.234605 0.000000 0.000000\n0.000000 4.234605 0.000000\n0.000000 0.000000 5.681263\nLa Al B Ru\n1 2 1 2\ndirect\n0.000000 0.000000 0.500000 La\n0.500001 0.500001 0.745733 Al\n0.500001 0.500001 0.254266 Al\n0.000000 0.000000 0.000000 B\n0.500001 0.000000 0.000000 Ru\n0.000000 0.500001 0.000000 Ru\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Al",
"B",
"Ru"
],
"chemical_system": "Al-B-La-Ru",
"density": 6.614718291857007,
"density_atomic": 0.05889528722298426,
"volume": 101.87572355803813,
"volume_molar": 10.225165788222562,
"formula_full": "La1 Al2 B1 Ru2",
"formula_reduced": "LaAl2BRu2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.356662363888889,
"spacegroup": 123
}
]
}