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=updated_at&page=3803",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3801",
"results": [
{
"id": "jvasp-17409",
"created_at": "2022-09-04T14:38:27.906814Z",
"updated_at": "2022-09-04T14:38:27.906850Z",
"structure_string": "Zr2 Cu1 Sb3\n1.0\n3.947580 0.000000 0.000000\n-0.000000 3.947580 -0.000000\n0.000000 0.000000 8.642321\nZr Cu Sb\n2 1 3\ndirect\n0.500000 0.000000 0.736640 Zr\n0.000000 0.500000 0.263360 Zr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.375773 Sb\n0.000000 0.500000 0.624227 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Zr",
"density": 7.536899914294696,
"density_atomic": 0.044551155972869586,
"volume": 134.6766401225107,
"volume_molar": 13.517361398360386,
"formula_full": "Zr2 Cu1 Sb3",
"formula_reduced": "Zr2CuSb3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3311196250000004,
"spacegroup": 115
},
{
"id": "jvasp-108137",
"created_at": "2022-09-04T14:38:27.909679Z",
"updated_at": "2022-09-04T14:38:27.909697Z",
"structure_string": "Cu2 Si1 Te3\n1.0\n5.422830 -0.013927 -4.860847\n-0.550008 4.044984 -6.030813\n-0.009985 0.013927 7.282501\nCu Si Te\n2 1 3\ndirect\n0.157165 0.166668 0.990497 Cu\n0.823829 0.833331 0.990496 Cu\n0.516438 0.499999 0.016437 Si\n0.922039 0.669410 0.252627 Te\n0.583219 0.330589 0.252628 Te\n0.247309 0.000000 0.247309 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Si",
"Te"
],
"chemical_system": "Cu-Si-Te",
"density": 5.583911472287747,
"density_atomic": 0.03750391147114866,
"volume": 159.98331279700605,
"volume_molar": 16.057367148577992,
"formula_full": "Cu2 Si1 Te3",
"formula_reduced": "Cu2SiTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9186721333333332,
"spacegroup": 44
},
{
"id": "jvasp-26814",
"created_at": "2022-09-04T14:38:27.910252Z",
"updated_at": "2022-09-04T14:38:27.910267Z",
"structure_string": "Ba1 Zr1 P2 O8\n1.0\n5.044597 -0.030622 0.249058\n2.210465 4.534617 0.249058\n0.027268 0.016928 7.934072\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.634076 0.634078 0.221043 P\n0.365923 0.365924 0.778957 P\n0.313347 0.313348 0.599410 O\n0.686652 0.686654 0.400590 O\n0.767473 0.296877 0.191498 O\n0.296875 0.767474 0.191498 O\n0.769086 0.769087 0.082548 O\n0.232527 0.703125 0.808502 O\n0.230913 0.230914 0.917452 O\n0.703124 0.232528 0.808502 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Zr",
"density": 3.8185116093931724,
"density_atomic": 0.065938234467019,
"volume": 181.98849418696767,
"volume_molar": 9.133002739119677,
"formula_full": "Ba1 Zr1 P2 O8",
"formula_reduced": "BaZr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.7312416225,
"spacegroup": 12
},
{
"id": "jvasp-109564",
"created_at": "2022-09-04T14:38:27.914616Z",
"updated_at": "2022-09-04T14:38:27.914647Z",
"structure_string": "Mg4 Sc2\n1.0\n5.916812 0.011040 1.546102\n5.054756 3.075423 1.546102\n-0.025598 -0.007201 7.604390\nMg Sc\n4 2\ndirect\n0.029220 0.029220 0.693960 Mg\n0.305417 0.305417 0.642089 Mg\n0.694583 0.694582 0.357911 Mg\n0.970781 0.970779 0.306039 Mg\n0.361530 0.361530 0.026088 Sc\n0.638470 0.638470 0.973911 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.2504108890494097,
"density_atomic": 0.0434526555345573,
"volume": 138.08131922405255,
"volume_molar": 13.859085678228974,
"formula_full": "Mg4 Sc2",
"formula_reduced": "Mg2Sc",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4993783833333333,
"spacegroup": 12
},
{
"id": "jvasp-109792",
"created_at": "2022-09-04T14:38:27.915148Z",
"updated_at": "2022-09-04T14:38:27.915167Z",
"structure_string": "Ba2 Pr1 Sn1 O6\n1.0\n5.352850 -0.031368 3.031409\n1.752423 5.057964 3.031409\n-0.044340 -0.031368 6.151462\nBa Pr Sn O\n2 1 1 6\ndirect\n0.752472 0.752471 0.752473 Ba\n0.247528 0.247527 0.247528 Ba\n0.500000 0.499999 0.500000 Pr\n0.000000 0.000000 0.000000 Sn\n0.293058 0.176594 0.769245 O\n0.176594 0.769244 0.293059 O\n0.769245 0.293057 0.176595 O\n0.706942 0.823404 0.230756 O\n0.823406 0.230754 0.706942 O\n0.230755 0.706941 0.823406 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Sn",
"O"
],
"chemical_system": "Ba-O-Pr-Sn",
"density": 6.232918173086452,
"density_atomic": 0.05955483638566182,
"volume": 167.91247540741392,
"volume_molar": 10.111925622634852,
"formula_full": "Ba2 Pr1 Sn1 O6",
"formula_reduced": "Ba2PrSnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6625114489999997,
"spacegroup": 148
},
{
"id": "jvasp-108642",
"created_at": "2022-09-04T14:38:27.924793Z",
"updated_at": "2022-09-04T14:38:27.924821Z",
"structure_string": "La1 Ce1 Zn2\n1.0\n4.528934 -0.000000 2.614782\n1.509645 4.269920 2.614782\n-0.000000 -0.000000 5.229563\nLa Ce Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.500000 0.500000 Ce\n0.249999 0.250000 0.250000 Zn\n0.749998 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ce",
"Zn"
],
"chemical_system": "Ce-La-Zn",
"density": 6.729483759863532,
"density_atomic": 0.03955294833661298,
"volume": 101.13026128819125,
"volume_molar": 15.225516714326666,
"formula_full": "La1 Ce1 Zn2",
"formula_reduced": "LaCeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1472453250000001,
"spacegroup": 225
},
{
"id": "jvasp-108799",
"created_at": "2022-09-04T14:38:27.927055Z",
"updated_at": "2022-09-04T14:38:27.927074Z",
"structure_string": "Cd2 Ga1 Ag1 Se4\n1.0\n4.223239 -0.000000 0.000000\n0.000000 7.053313 0.054916\n-0.000000 0.013289 7.504859\nCd Ga Ag Se\n2 1 1 4\ndirect\n0.500000 0.004341 0.170599 Cd\n0.500000 0.461450 0.819639 Cd\n-0.000000 0.480056 0.337774 Ga\n-0.000000 0.979797 0.671047 Ag\n0.500000 0.605445 0.175980 Se\n0.500000 0.093894 0.837085 Se\n-0.000000 0.134863 0.348384 Se\n-0.000000 0.608953 0.639494 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Cd-Ga-Se",
"density": 5.335207329792897,
"density_atomic": 0.03578612058800411,
"volume": 223.55035607524573,
"volume_molar": 16.828146390415636,
"formula_full": "Cd2 Ga1 Ag1 Se4",
"formula_reduced": "Cd2GaAgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0968615689583332,
"spacegroup": 6
},
{
"id": "jvasp-109381",
"created_at": "2022-09-04T14:38:27.927438Z",
"updated_at": "2022-09-04T14:38:27.927451Z",
"structure_string": "Mn1 Fe1 O2\n1.0\n3.056080 -0.000000 0.000000\n0.000000 3.056080 0.000000\n-0.000000 -0.000000 4.326760\nMn Fe O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.867185826232151,
"density_atomic": 0.0989846262957514,
"volume": 40.41031571962087,
"volume_molar": 6.083915235489939,
"formula_full": "Mn1 Fe1 O2",
"formula_reduced": "MnFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.824684935344828,
"spacegroup": 123
},
{
"id": "jvasp-117726",
"created_at": "2022-09-04T14:38:27.928372Z",
"updated_at": "2022-09-04T14:38:27.928396Z",
"structure_string": "Rb1 Bi1 F2\n1.0\n3.642563 0.000000 0.000000\n-0.000000 3.642563 0.000000\n-0.000000 0.000000 6.667416\nRb Bi F\n1 1 2\ndirect\n0.499999 0.499999 0.512258 Rb\n0.000000 0.000000 0.008201 Bi\n0.000000 0.000000 0.370084 F\n0.499999 0.499999 0.119458 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-F-Rb",
"density": 6.240181400972659,
"density_atomic": 0.045215599637989254,
"volume": 88.46504374652325,
"volume_molar": 13.318723644528019,
"formula_full": "Rb1 Bi1 F2",
"formula_reduced": "RbBiF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.024655,
"spacegroup": 99
},
{
"id": "jvasp-109161",
"created_at": "2022-09-04T14:38:27.931429Z",
"updated_at": "2022-09-04T14:38:27.931456Z",
"structure_string": "Li1 Tl1 O2\n1.0\n3.356035 0.000000 0.000000\n0.000000 3.356035 0.000000\n-0.000000 -0.000000 4.321545\nLi Tl O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Tl\n0.000000 0.000000 0.499999 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"O"
],
"chemical_system": "Li-O-Tl",
"density": 8.30119155955129,
"density_atomic": 0.08218035043054704,
"volume": 48.6734356697653,
"volume_molar": 7.327957021903288,
"formula_full": "Li1 Tl1 O2",
"formula_reduced": "LiTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9088624,
"spacegroup": 123
},
{
"id": "jvasp-117733",
"created_at": "2022-09-04T14:38:27.934459Z",
"updated_at": "2022-09-04T14:38:27.934482Z",
"structure_string": "Bi1 N1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nBi N\n1 1\ndirect\n0.000000 0.000000 0.821279 Bi\n0.000000 0.000000 0.178720 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"N"
],
"chemical_system": "Bi-N",
"density": 1.7848323030208855,
"density_atomic": 0.009640478185062007,
"volume": 207.45858883836436,
"volume_molar": 62.46724119277975,
"formula_full": "Bi1 N1",
"formula_reduced": "BiN",
"formula_anonymous": "AB",
"energy_above_hull": 3.827273775,
"spacegroup": 99
},
{
"id": "jvasp-20526",
"created_at": "2022-09-04T14:38:27.935343Z",
"updated_at": "2022-09-04T14:38:27.935363Z",
"structure_string": "Tm2 Ga4\n1.0\n3.884600 -0.000000 1.537327\n1.613541 5.266031 1.599388\n-0.023105 0.049240 5.734952\nTm Ga\n2 4\ndirect\n0.936981 0.313018 0.313019 Tm\n0.063018 0.686981 0.686982 Tm\n0.340819 0.107527 0.710833 Ga\n0.659180 0.892473 0.289168 Ga\n0.659179 0.289167 0.892473 Ga\n0.340820 0.710833 0.107528 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.729593218820842,
"density_atomic": 0.05114223039096569,
"volume": 117.31987350047025,
"volume_molar": 11.77527986942043,
"formula_full": "Tm2 Ga4",
"formula_reduced": "TmGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0451326944444445,
"spacegroup": 74
}
]
}