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=1210",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1208",
"results": [
{
"id": "jvasp-37123",
"created_at": "2022-09-04T14:38:08.319727Z",
"updated_at": "2022-09-04T14:38:08.319757Z",
"structure_string": "Pd3 N1\n1.0\n4.068034 0.000000 0.000000\n-0.000000 4.068034 -0.000000\n0.000000 0.000000 4.068034\nPd N\n3 1\ndirect\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 8.220292979424999,
"density_atomic": 0.05941639104974432,
"volume": 67.32149040575585,
"volume_molar": 10.13548728491128,
"formula_full": "Pd3 N1",
"formula_reduced": "Pd3N",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6437000875,
"spacegroup": 221
},
{
"id": "jvasp-30338",
"created_at": "2022-09-04T14:37:03.195532Z",
"updated_at": "2022-09-04T14:37:03.195566Z",
"structure_string": "Mn1 Sb1 O4\n1.0\n4.715440 -0.219615 -0.134083\n7.685590 5.435862 -0.306512\n7.685593 3.822904 2.334718\nMn Sb O\n1 1 4\ndirect\n0.499995 0.499999 0.499998 Mn\n0.500008 -0.000001 0.500001 Sb\n0.262462 -0.000002 0.224181 O\n0.205150 0.500010 0.259955 O\n0.737549 0.000000 0.775817 O\n0.794834 0.499988 0.740053 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 5.590757326310219,
"density_atomic": 0.08392755320274227,
"volume": 71.49022902533461,
"volume_molar": 7.175403702586712,
"formula_full": "Mn1 Sb1 O4",
"formula_reduced": "MnSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6433512235632186,
"spacegroup": 10
},
{
"id": "jvasp-40824",
"created_at": "2022-09-04T14:37:50.656899Z",
"updated_at": "2022-09-04T14:37:50.656924Z",
"structure_string": "Zr1 Si1 Pt1\n1.0\n3.762540 0.000000 2.172304\n1.254180 3.547357 2.172304\n-0.000000 0.000000 4.344607\nZr Si Pt\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Zr",
"density": 9.002976891470444,
"density_atomic": 0.05173503343885789,
"volume": 57.98778507692463,
"volume_molar": 11.640353469795587,
"formula_full": "Zr1 Si1 Pt1",
"formula_reduced": "ZrSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6433281666666666,
"spacegroup": 216
},
{
"id": "jvasp-75699",
"created_at": "2022-09-04T14:35:43.561583Z",
"updated_at": "2022-09-04T14:35:43.561615Z",
"structure_string": "Li1 Ti2 As1\n1.0\n0.000000 3.145282 3.145282\n3.145282 0.000000 3.145282\n3.145282 3.145282 0.000000\nLi Ti As\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"As"
],
"chemical_system": "As-Li-Ti",
"density": 4.738872022403103,
"density_atomic": 0.06427635297612576,
"volume": 62.231284364962725,
"volume_molar": 9.36913885303482,
"formula_full": "Li1 Ti2 As1",
"formula_reduced": "LiTi2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.643284604166667,
"spacegroup": 216
},
{
"id": "jvasp-38668",
"created_at": "2022-09-04T14:37:42.595588Z",
"updated_at": "2022-09-04T14:37:42.595598Z",
"structure_string": "Ho2 Os1 Pt1\n1.0\n-0.000000 3.422634 3.422634\n3.422634 0.000000 3.422634\n3.422634 3.422634 -0.000000\nHo Os Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Os",
"Pt"
],
"chemical_system": "Ho-Os-Pt",
"density": 14.809821601373196,
"density_atomic": 0.04988254636365689,
"volume": 80.18836830900626,
"volume_molar": 12.072641031788972,
"formula_full": "Ho2 Os1 Pt1",
"formula_reduced": "Ho2OsPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6431143833333333,
"spacegroup": 225
},
{
"id": "jvasp-101437",
"created_at": "2022-09-04T14:37:08.992013Z",
"updated_at": "2022-09-04T14:37:08.992033Z",
"structure_string": "Na1 Th1 Ti2 O6\n1.0\n3.905728 0.000000 0.000000\n0.000000 3.905728 0.000000\n0.000000 -0.000000 7.844988\nNa Th Ti O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.242639 Ti\n0.000000 0.000000 0.757361 Ti\n0.000000 0.500000 0.282417 O\n0.000000 0.500000 0.717583 O\n0.500000 0.000000 0.282417 O\n0.500000 0.000000 0.717583 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Th",
"Ti",
"O"
],
"chemical_system": "Na-O-Th-Ti",
"density": 6.199053499766499,
"density_atomic": 0.08356101873585949,
"volume": 119.67302638578995,
"volume_molar": 7.206878100704212,
"formula_full": "Na1 Th1 Ti2 O6",
"formula_reduced": "NaThTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6430302266666663,
"spacegroup": 123
},
{
"id": "jvasp-21103",
"created_at": "2022-09-04T14:38:31.956130Z",
"updated_at": "2022-09-04T14:38:31.956161Z",
"structure_string": "Cd4 Os4 O14\n1.0\n6.297765 0.000000 3.636016\n2.099255 5.937589 3.636016\n-0.000000 -0.000000 7.272032\nCd Os O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Cd\n0.499999 0.500000 0.000001 Cd\n0.499999 0.500000 0.500001 Cd\n-0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 -0.000000 0.000000 Os\n0.068311 0.681688 0.068313 O\n0.681688 0.068312 0.681689 O\n0.681688 0.068312 0.068313 O\n0.624999 0.625000 0.625001 O\n0.931687 0.318312 0.318313 O\n0.318311 0.931688 0.318313 O\n0.318311 0.318312 0.931688 O\n0.931687 0.931688 0.318313 O\n0.931687 0.318312 0.931689 O\n0.068311 0.681688 0.681689 O\n0.318311 0.931688 0.931689 O\n0.374999 0.375000 0.375001 O\n0.681687 0.681688 0.068313 O\n0.068312 0.068312 0.681688 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Os",
"O"
],
"chemical_system": "Cd-O-Os",
"density": 8.760201945397954,
"density_atomic": 0.08090405996308225,
"volume": 271.9270208446762,
"volume_molar": 7.44355816351861,
"formula_full": "Cd4 Os4 O14",
"formula_reduced": "Cd2Os2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.642984,
"spacegroup": 227
},
{
"id": "jvasp-152",
"created_at": "2022-09-04T14:38:09.259287Z",
"updated_at": "2022-09-04T14:38:09.259310Z",
"structure_string": "Si8 P16\n1.0\n3.479872 0.000000 0.000000\n0.000000 9.945997 0.000000\n0.000000 0.000000 14.479183\nSi P\n8 16\ndirect\n0.000000 0.589442 0.852555 Si\n0.000000 0.410559 0.147445 Si\n0.000000 0.089442 0.647445 Si\n0.000000 0.910559 0.352555 Si\n0.500000 0.806640 0.733784 Si\n0.500000 0.193360 0.266216 Si\n0.500000 0.306640 0.766216 Si\n0.500000 0.693360 0.233784 Si\n0.500000 0.047249 0.388408 P\n0.500000 0.952751 0.611592 P\n0.500000 0.610612 0.386886 P\n0.500000 0.389388 0.613114 P\n0.500000 0.110612 0.113114 P\n0.500000 0.889388 0.886886 P\n0.000000 0.728628 0.450663 P\n0.000000 0.834823 0.204387 P\n0.000000 0.228628 0.049337 P\n0.000000 0.771372 0.950663 P\n0.500000 0.452751 0.888408 P\n0.000000 0.165177 0.795613 P\n0.000000 0.334823 0.295613 P\n0.000000 0.665177 0.704387 P\n0.000000 0.271372 0.549337 P\n0.500000 0.547250 0.111592 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"P"
],
"chemical_system": "P-Si",
"density": 2.3866309658013756,
"density_atomic": 0.04789118587152256,
"volume": 501.13605589940244,
"volume_molar": 12.574632785572623,
"formula_full": "Si8 P16",
"formula_reduced": "SiP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.642929866666667,
"spacegroup": 55
},
{
"id": "jvasp-122055",
"created_at": "2022-09-04T14:38:52.397631Z",
"updated_at": "2022-09-04T14:38:52.397656Z",
"structure_string": "Nd1 Fe4 Cu3 O12\n1.0\n5.927219 -0.000000 -2.095588\n-2.963609 5.133122 -2.095588\n-0.000000 -0.000000 6.286765\nNd Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.303234 0.820419 0.123654 O\n0.696766 0.179580 0.876346 O\n0.482815 0.303234 0.179580 O\n0.517185 0.696765 0.820420 O\n0.123654 0.303234 0.820420 O\n0.820420 0.123654 0.303235 O\n0.179580 0.482815 0.303235 O\n0.820419 0.517185 0.696766 O\n0.696765 0.820419 0.517185 O\n0.179580 0.876346 0.696766 O\n0.876346 0.696765 0.179580 O\n0.303235 0.179580 0.482815 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Nd-O",
"density": 6.513237811382361,
"density_atomic": 0.104561115712074,
"volume": 191.27569425591486,
"volume_molar": 5.7594457738792135,
"formula_full": "Nd1 Fe4 Cu3 O12",
"formula_reduced": "NdFe4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.6428883425,
"spacegroup": 204
},
{
"id": "jvasp-9363",
"created_at": "2022-09-04T14:37:20.223125Z",
"updated_at": "2022-09-04T14:37:20.223155Z",
"structure_string": "Ba1 Zn1 Fe4 O8\n1.0\n2.689628 -4.658573 -0.000000\n2.689628 4.658573 -0.000000\n-0.000000 -0.000000 7.246895\nBa Zn Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.740883 Fe\n0.666667 0.333333 0.740883 Fe\n0.333333 0.666667 0.259118 Fe\n0.666667 0.333333 0.259118 Fe\n0.315330 0.315330 0.676863 O\n0.684670 0.000000 0.676863 O\n0.000000 0.684670 0.676863 O\n0.684671 0.684671 0.323138 O\n0.000000 0.315330 0.323138 O\n0.315330 0.000000 0.323138 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Zn",
"density": 5.06662706590097,
"density_atomic": 0.07709051528241262,
"volume": 181.60470128799295,
"volume_molar": 7.811779098814621,
"formula_full": "Ba1 Zn1 Fe4 O8",
"formula_reduced": "BaZn(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.642876883571428,
"spacegroup": 162
},
{
"id": "jvasp-96080",
"created_at": "2022-09-04T14:36:09.587553Z",
"updated_at": "2022-09-04T14:36:09.587579Z",
"structure_string": "Mn2 V2 Cu2 O8\n1.0\n5.237649 0.048967 0.000000\n-2.033740 4.826931 -0.000000\n-0.000000 0.000000 6.352399\nMn V Cu O\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.358099 0.641901 0.750000 V\n0.641902 0.358099 0.250000 V\n0.668963 0.331037 0.750000 Cu\n0.331037 0.668963 0.250000 Cu\n0.239838 0.760162 0.971082 O\n0.760163 0.239838 0.471082 O\n0.760163 0.239838 0.028918 O\n0.239838 0.760162 0.528918 O\n0.227943 0.270872 0.750000 O\n0.772057 0.729128 0.250000 O\n0.729128 0.772057 0.750000 O\n0.270872 0.227943 0.250000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mn",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-V",
"density": 4.808065904565183,
"density_atomic": 0.08683112709092367,
"volume": 161.2325034700995,
"volume_molar": 6.935463078458054,
"formula_full": "Mn2 V2 Cu2 O8",
"formula_reduced": "MnVCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.642869413054187,
"spacegroup": 63
},
{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Br",
"O"
],
"chemical_system": "Br-Ca-H-O",
"density": 2.283582096585659,
"density_atomic": 0.09377079188840912,
"volume": 223.9503322632789,
"volume_molar": 6.422192495896357,
"formula_full": "Ca1 H12 Br2 O6",
"formula_reduced": "CaH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.642868553809524,
"spacegroup": 150
}
]
}