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=641",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=639",
"results": [
{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 4.097162682830391,
"density_atomic": 0.06954650591459337,
"volume": 316.3350870138194,
"volume_molar": 8.659156460563947,
"formula_full": "Ba3 Si6 N4 O9",
"formula_reduced": "Ba3Si6N4O9",
"formula_anonymous": "A3B4C6D9",
"energy_above_hull": 3.370708818636364,
"spacegroup": 143
},
{
"id": "jvasp-43223",
"created_at": "2022-09-04T14:36:22.263177Z",
"updated_at": "2022-09-04T14:36:22.263203Z",
"structure_string": "Cr3 Fe2 Sb3 O16\n1.0\n6.039143 0.002512 0.035755\n3.007203 5.237127 0.036471\n0.083581 0.047275 8.825163\nCr Fe Sb O\n3 2 3 16\ndirect\n0.669569 0.167405 0.213185 Cr\n0.167438 0.669537 0.213188 Cr\n0.827389 0.827384 0.699410 Cr\n0.340020 0.339998 0.482717 Fe\n0.679636 0.679607 0.002570 Fe\n0.168912 0.168880 0.211334 Sb\n0.826393 0.332726 0.707646 Sb\n0.332713 0.826400 0.707661 Sb\n0.829564 0.339340 0.104605 O\n0.665479 0.665511 0.583026 O\n0.525042 0.951389 0.831059 O\n0.951398 0.525031 0.831055 O\n0.166501 0.166501 0.592736 O\n0.837828 0.837797 0.116282 O\n0.057597 0.479699 0.350603 O\n0.998059 0.998038 0.321091 O\n0.165832 0.658021 0.596499 O\n0.990622 0.990633 0.816943 O\n0.514342 0.514327 0.841576 O\n0.339026 0.339006 0.099355 O\n0.469705 0.469652 0.341461 O\n0.658029 0.165819 0.596500 O\n0.479721 0.057565 0.350605 O\n0.339380 0.829524 0.104612 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Sb",
"O"
],
"chemical_system": "Cr-Fe-O-Sb",
"density": 5.290187002098184,
"density_atomic": 0.08601148961968369,
"volume": 279.0324886375135,
"volume_molar": 7.001553846617529,
"formula_full": "Cr3 Fe2 Sb3 O16",
"formula_reduced": "Cr3Fe2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.3705765625,
"spacegroup": 8
},
{
"id": "jvasp-116159",
"created_at": "2022-09-04T14:38:41.470196Z",
"updated_at": "2022-09-04T14:38:41.470229Z",
"structure_string": "Hf2 Cl1\n1.0\n4.173855 0.000000 0.000000\n0.000000 2.966768 0.000000\n0.000000 0.000000 5.907161\nHf Cl\n2 1\ndirect\n-0.033334 0.000000 0.747587 Hf\n-0.033334 0.000000 0.252414 Hf\n0.466668 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 8.908710917528987,
"density_atomic": 0.04101299673119878,
"volume": 73.14754441530204,
"volume_molar": 14.683493623910026,
"formula_full": "Hf2 Cl1",
"formula_reduced": "Hf2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 3.370243355833334,
"spacegroup": 47
},
{
"id": "jvasp-36167",
"created_at": "2022-09-04T14:37:31.520672Z",
"updated_at": "2022-09-04T14:37:31.520692Z",
"structure_string": "Cr1 Fe2 Sb1\n1.0\n2.977608 2.977608 -0.000000\n2.977608 0.000000 -2.977608\n-0.000000 2.977608 -2.977608\nCr Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Sb"
],
"chemical_system": "Cr-Fe-Sb",
"density": 8.977194767310623,
"density_atomic": 0.07575781282331433,
"volume": 52.79983477517988,
"volume_molar": 7.949200928021906,
"formula_full": "Cr1 Fe2 Sb1",
"formula_reduced": "CrFe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.370003625,
"spacegroup": 225
},
{
"id": "jvasp-69276",
"created_at": "2022-09-04T14:36:18.904799Z",
"updated_at": "2022-09-04T14:36:18.904820Z",
"structure_string": "Ba1 Zr4 Ge1\n1.0\n0.000000 4.252394 4.252394\n4.252394 -0.000000 4.252394\n4.252394 4.252394 0.000000\nBa Zr Ge\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.127904 0.624031 0.624031 Zr\n0.624031 0.624031 0.624031 Zr\n0.624031 0.127904 0.624031 Zr\n0.624031 0.624031 0.127904 Zr\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ge"
],
"chemical_system": "Ba-Ge-Zr",
"density": 6.207017483438923,
"density_atomic": 0.0390140256005007,
"volume": 153.79084592395913,
"volume_molar": 15.435835362559237,
"formula_full": "Ba1 Zr4 Ge1",
"formula_reduced": "BaZr4Ge",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.369614986666667,
"spacegroup": 216
},
{
"id": "jvasp-120047",
"created_at": "2022-09-04T14:38:37.491764Z",
"updated_at": "2022-09-04T14:38:37.491796Z",
"structure_string": "H1 C1 Cl1\n1.0\n3.776787 0.000000 -0.000000\n-1.888394 3.270794 0.000000\n-0.000000 0.000000 2.921024\nH C Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 H\n0.000000 0.000000 0.000000 C\n0.333333 0.666665 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 2.2306221027531485,
"density_atomic": 0.08314008122969747,
"volume": 36.08367896239685,
"volume_molar": 7.243366461673486,
"formula_full": "H1 C1 Cl1",
"formula_reduced": "HCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3694513558333328,
"spacegroup": 187
},
{
"id": "jvasp-67028",
"created_at": "2022-09-04T14:36:19.581236Z",
"updated_at": "2022-09-04T14:36:19.581260Z",
"structure_string": "Hf1 Be1 Ru1\n1.0\n-1.575287 1.575287 4.387011\n1.575287 -1.575287 4.387011\n1.575287 1.575287 -4.387011\nHf Be Ru\n1 1 1\ndirect\n0.333802 0.333802 0.000000 Hf\n0.025716 0.025716 0.000000 Be\n0.640481 0.640481 0.000000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ru"
],
"chemical_system": "Be-Hf-Ru",
"density": 11.004123809179998,
"density_atomic": 0.0688926930686447,
"volume": 43.545982402093045,
"volume_molar": 8.741334518596242,
"formula_full": "Hf1 Be1 Ru1",
"formula_reduced": "HfBeRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3691798666666672,
"spacegroup": 107
},
{
"id": "jvasp-9616",
"created_at": "2022-09-04T14:38:28.424747Z",
"updated_at": "2022-09-04T14:38:28.424762Z",
"structure_string": "Ta2 B2 O8\n1.0\n5.007557 0.004765 -1.464953\n-2.810880 4.144224 -1.464953\n-0.002522 -0.004765 5.217443\nTa B O\n2 2 8\ndirect\n0.125000 0.874999 0.250000 Ta\n0.875001 0.125000 0.750000 Ta\n0.625001 0.375000 0.250001 B\n0.375000 0.624999 0.750000 B\n0.799711 0.371147 0.071438 O\n0.728273 0.799709 0.928563 O\n0.271727 0.200290 0.071437 O\n0.200290 0.628852 0.928563 O\n0.200290 0.271726 0.571436 O\n0.628854 0.200290 0.428564 O\n0.799710 0.728273 0.428564 O\n0.371146 0.799709 0.571437 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"B",
"O"
],
"chemical_system": "B-O-Ta",
"density": 7.844745481776073,
"density_atomic": 0.11082924241205246,
"volume": 108.27467317141044,
"volume_molar": 5.433711021510244,
"formula_full": "Ta2 B2 O8",
"formula_reduced": "TaBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.3687676305555554,
"spacegroup": 141
},
{
"id": "jvasp-113170",
"created_at": "2022-09-04T14:38:47.048901Z",
"updated_at": "2022-09-04T14:38:47.048926Z",
"structure_string": "V2 Co1 P2 H8 O14\n1.0\n5.775752 -0.000031 -2.463517\n1.050763 5.679295 2.463476\n-0.024348 0.029176 7.945761\nV Co P H O\n2 1 2 8 14\ndirect\n0.277333 0.722663 0.554652 V\n0.722664 0.277338 0.445344 V\n0.000000 -0.000000 0.000000 Co\n0.250002 0.249998 0.500004 P\n0.749995 0.750003 0.499993 P\n0.708438 0.123195 0.122197 H\n0.413758 0.754606 0.122196 H\n0.245370 0.291585 0.122180 H\n0.876827 0.586226 0.122215 H\n0.291560 0.876801 0.877804 H\n0.586243 0.245396 0.877805 H\n0.123175 0.413772 0.877786 H\n0.754626 0.708416 0.877822 H\n0.343043 0.378088 0.638939 O\n0.982970 0.343034 0.361087 O\n0.704092 0.017038 0.361075 O\n0.378090 0.295910 0.361071 O\n0.621907 0.704091 0.638927 O\n0.295905 0.982963 0.638922 O\n0.846741 0.153254 0.693516 O\n0.262144 0.799994 -0.000002 O\n0.737857 0.200004 0.000005 O\n0.199978 0.262160 -0.000011 O\n0.153256 0.846747 0.306481 O\n0.017026 0.656966 0.638910 O\n0.800022 0.737838 0.000014 O\n0.656956 0.621913 0.361058 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"V",
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-O-P-V",
"density": 2.9069398173001644,
"density_atomic": 0.10392314041775198,
"volume": 259.8073912264867,
"volume_molar": 5.794802520201081,
"formula_full": "V2 Co1 P2 H8 O14",
"formula_reduced": "V2CoP2(H4O7)2",
"formula_anonymous": "AB2C2D8E14",
"energy_above_hull": 3.368735159259259,
"spacegroup": 87
},
{
"id": "jvasp-92300",
"created_at": "2022-09-04T14:35:58.562018Z",
"updated_at": "2022-09-04T14:35:58.562043Z",
"structure_string": "Al3 Tc2\n1.0\n-2.178132 -3.772053 -0.000184\n-2.177629 3.771762 -0.000000\n-0.000347 -0.000200 -5.115284\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333267 0.666633 0.610055 Al\n0.666733 0.333367 0.389944 Al\n0.333381 0.666690 0.106224 Tc\n0.666619 0.333311 0.893774 Tc\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 5.472014011276252,
"density_atomic": 0.05949427565651512,
"volume": 84.04169888321782,
"volume_molar": 10.122218807685451,
"formula_full": "Al3 Tc2",
"formula_reduced": "Al3Tc2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.36850428,
"spacegroup": 164
},
{
"id": "jvasp-65736",
"created_at": "2022-09-04T14:36:06.469098Z",
"updated_at": "2022-09-04T14:36:06.469126Z",
"structure_string": "Ba1 Fe1 Ir2\n1.0\n-2.095856 2.095856 4.233968\n2.095856 -2.095856 4.233968\n2.095856 2.095856 -4.233968\nBa Fe Ir\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Fe\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Ir"
],
"chemical_system": "Ba-Fe-Ir",
"density": 12.892892162356254,
"density_atomic": 0.05376870145534626,
"volume": 74.39272089027318,
"volume_molar": 11.20008591801544,
"formula_full": "Ba1 Fe1 Ir2",
"formula_reduced": "BaFeIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3678759175,
"spacegroup": 139
},
{
"id": "jvasp-44666",
"created_at": "2022-09-04T14:38:10.664916Z",
"updated_at": "2022-09-04T14:38:10.664937Z",
"structure_string": "Li1 Mn3 Fe2 O8\n1.0\n-0.011682 4.074254 4.074254\n4.074254 -0.011682 4.074254\n4.074254 4.074254 -0.011682\nLi Mn Fe O\n1 3 2 8\ndirect\n0.124481 0.124481 0.124481 Li\n0.498753 0.498753 0.003954 Mn\n0.003954 0.498753 0.498753 Mn\n0.498753 0.003954 0.498753 Mn\n0.499166 0.499166 0.499166 Fe\n0.875954 0.875954 0.875954 Fe\n0.711956 0.261748 0.261748 O\n0.262020 0.262020 0.262020 O\n0.261748 0.711956 0.261748 O\n0.261748 0.261748 0.711956 O\n0.739230 0.739230 0.283063 O\n0.739230 0.283063 0.739230 O\n0.283063 0.739230 0.739230 O\n0.739941 0.739941 0.739941 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 5.029418949793117,
"density_atomic": 0.10305994042607734,
"volume": 135.84327666133183,
"volume_molar": 5.84333809538688,
"formula_full": "Li1 Mn3 Fe2 O8",
"formula_reduced": "LiMn3(FeO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.367415051724138,
"spacegroup": 160
}
]
}