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=1121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1119",
"results": [
{
"id": "jvasp-71196",
"created_at": "2022-09-04T14:36:18.036100Z",
"updated_at": "2022-09-04T14:36:18.036127Z",
"structure_string": "Be1 Nb1 P2\n1.0\n2.869381 0.000000 0.000000\n0.000000 2.869381 0.000000\n-0.000000 0.000000 7.697946\nBe Nb P\n1 1 2\ndirect\n0.000000 0.000000 0.482599 Be\n0.500000 0.500000 0.708590 Nb\n0.000000 0.000000 0.957933 P\n0.500000 0.500000 0.350879 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"P"
],
"chemical_system": "Be-Nb-P",
"density": 4.293256946529356,
"density_atomic": 0.0631115279333208,
"volume": 63.37986309293793,
"volume_molar": 9.54206142238003,
"formula_full": "Be1 Nb1 P2",
"formula_reduced": "BeNbP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3492191250000003,
"spacegroup": 99
},
{
"id": "jvasp-64577",
"created_at": "2022-09-04T14:36:18.036785Z",
"updated_at": "2022-09-04T14:36:18.036813Z",
"structure_string": "Ba4 Sr1 Rh1\n1.0\n-0.000000 5.083075 5.083075\n5.083075 -0.000000 5.083075\n5.083075 5.083075 -0.000000\nBa Sr Rh\n4 1 1\ndirect\n0.132658 0.622448 0.622448 Ba\n0.622448 0.622448 0.622448 Ba\n0.622448 0.132658 0.622448 Ba\n0.622448 0.622448 0.132658 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Rh"
],
"chemical_system": "Ba-Rh-Sr",
"density": 4.677066460083849,
"density_atomic": 0.022842398385231336,
"volume": 262.6694403456021,
"volume_molar": 26.363872385193986,
"formula_full": "Ba4 Sr1 Rh1",
"formula_reduced": "Ba4SrRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3614538649999999,
"spacegroup": 216
},
{
"id": "jvasp-107754",
"created_at": "2022-09-04T14:36:18.037503Z",
"updated_at": "2022-09-04T14:36:18.037526Z",
"structure_string": "Ir1 Os1\n1.0\n2.765165 -0.000000 0.000000\n-1.382583 2.394703 0.000000\n0.000000 0.000000 4.398901\nIr Os\n1 1\ndirect\n0.666666 0.333333 0.500000 Ir\n0.333333 0.666666 -0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Os"
],
"chemical_system": "Ir-Os",
"density": 21.802357597561453,
"density_atomic": 0.06866147016331356,
"volume": 29.12841795031383,
"volume_molar": 8.77077165064503,
"formula_full": "Ir1 Os1",
"formula_reduced": "IrOs",
"formula_anonymous": "AB",
"energy_above_hull": 3.533728050000001,
"spacegroup": 187
},
{
"id": "jvasp-65741",
"created_at": "2022-09-04T14:36:18.037711Z",
"updated_at": "2022-09-04T14:36:18.037735Z",
"structure_string": "Ba1 Cd1 W2\n1.0\n4.205583 0.000000 0.000000\n0.000000 4.205583 0.000000\n0.000000 -0.000000 5.180686\nBa Cd W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"W"
],
"chemical_system": "Ba-Cd-W",
"density": 11.188933597933199,
"density_atomic": 0.043653624030612986,
"volume": 91.63042218888675,
"volume_molar": 13.795282507992583,
"formula_full": "Ba1 Cd1 W2",
"formula_reduced": "BaCdW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.84176893,
"spacegroup": 123
},
{
"id": "jvasp-42887",
"created_at": "2022-09-04T14:36:18.038380Z",
"updated_at": "2022-09-04T14:36:18.038390Z",
"structure_string": "Li1 Zn1 Ag2\n1.0\n-0.000000 3.153331 3.153331\n3.153331 0.000000 3.153331\n3.153331 3.153331 0.000000\nLi Zn Ag\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Ag\n0.500001 0.500001 0.500001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Ag"
],
"chemical_system": "Ag-Li-Zn",
"density": 7.62839508038202,
"density_atomic": 0.06378540460476811,
"volume": 62.710270865021535,
"volume_molar": 9.441251956172165,
"formula_full": "Li1 Zn1 Ag2",
"formula_reduced": "LiZnAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94830",
"created_at": "2022-09-04T14:36:18.044148Z",
"updated_at": "2022-09-04T14:36:18.044175Z",
"structure_string": "Pr2 Fe2 Si2 C1\n1.0\n0.000000 -4.006512 -0.000000\n4.259324 -2.003256 -3.412120\n4.336133 -2.003256 3.621978\nPr Fe Si C\n2 2 2 1\ndirect\n0.441673 0.815069 0.301585 Pr\n0.558329 0.184930 0.698415 Pr\n0.807440 0.301024 0.084095 Fe\n0.192562 0.698975 0.915904 Fe\n0.817115 0.619064 0.746707 Si\n0.182887 0.380935 0.253292 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Pr",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Pr-Si",
"density": 6.331384708346315,
"density_atomic": 0.057809604673262655,
"volume": 121.08714528604187,
"volume_molar": 10.417197616273064,
"formula_full": "Pr2 Fe2 Si2 C1",
"formula_reduced": "Pr2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.5871711285714287,
"spacegroup": 12
},
{
"id": "jvasp-65707",
"created_at": "2022-09-04T14:36:18.044634Z",
"updated_at": "2022-09-04T14:36:18.044655Z",
"structure_string": "Ba1 Pd2 Rh1\n1.0\n4.395451 0.000000 0.000000\n0.000000 4.395451 0.000000\n0.000000 0.000000 4.218487\nBa Pd Rh\n1 2 1\ndirect\n0.000000 -0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Rh"
],
"chemical_system": "Ba-Pd-Rh",
"density": 9.231094548707965,
"density_atomic": 0.049079077419529174,
"volume": 81.50112451804871,
"volume_molar": 12.270281098649415,
"formula_full": "Ba1 Pd2 Rh1",
"formula_reduced": "BaPd2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5030400925,
"spacegroup": 123
},
{
"id": "jvasp-15984",
"created_at": "2022-09-04T14:36:18.046667Z",
"updated_at": "2022-09-04T14:36:18.046681Z",
"structure_string": "Mn2 Al1 B2\n1.0\n2.833516 0.000000 0.000000\n0.000000 2.800636 -0.738074\n0.000000 0.008611 5.715247\nMn Al B\n2 1 2\ndirect\n0.500001 0.356106 0.712212 Mn\n0.500001 0.643895 0.287790 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.793622 0.587243 B\n0.000000 0.206379 0.412759 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"B"
],
"chemical_system": "Al-B-Mn",
"density": 5.800064090391065,
"density_atomic": 0.11019966001304411,
"volume": 45.372190798121885,
"volume_molar": 5.464754391517335,
"formula_full": "Mn2 Al1 B2",
"formula_reduced": "Mn2AlB2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.9863164898850574,
"spacegroup": 65
},
{
"id": "jvasp-15004",
"created_at": "2022-09-04T14:36:18.049169Z",
"updated_at": "2022-09-04T14:36:18.049191Z",
"structure_string": "Ti1 O1\n1.0\n2.621745 -0.000000 1.513665\n0.873915 2.471805 1.513665\n0.000000 0.000000 3.027329\nTi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499999 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.4057661955995275,
"density_atomic": 0.10194495057432428,
"volume": 19.618431209517084,
"volume_molar": 5.907247711704446,
"formula_full": "Ti1 O1",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.8109859166666666,
"spacegroup": 225
},
{
"id": "jvasp-70901",
"created_at": "2022-09-04T14:36:18.049599Z",
"updated_at": "2022-09-04T14:36:18.049623Z",
"structure_string": "Be1 Cd1 Ir2\n1.0\n2.900512 -0.000000 0.000000\n-0.000000 2.900512 -0.000000\n0.000000 0.000000 6.834214\nBe Cd Ir\n1 1 2\ndirect\n0.000000 0.000000 0.448612 Be\n0.500000 0.500000 0.731316 Cd\n0.000000 0.000000 0.020707 Ir\n0.500000 0.500000 0.299363 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ir"
],
"chemical_system": "Be-Cd-Ir",
"density": 14.609626423479776,
"density_atomic": 0.06957001298727435,
"volume": 57.49603641344259,
"volume_molar": 8.65623061059592,
"formula_full": "Be1 Cd1 Ir2",
"formula_reduced": "BeCdIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2901220125,
"spacegroup": 99
},
{
"id": "jvasp-91452",
"created_at": "2022-09-04T14:36:18.053627Z",
"updated_at": "2022-09-04T14:36:18.053656Z",
"structure_string": "Tl4 C4 O8\n1.0\n5.863330 0.000000 0.000000\n0.000000 6.588934 -1.044703\n0.000000 0.007130 6.623484\nTl C O\n4 4 8\ndirect\n0.440508 0.184329 0.825109 Tl\n0.059492 0.184329 0.325109 Tl\n0.940508 0.815670 0.674890 Tl\n0.559492 0.815670 0.174891 Tl\n0.594296 0.428909 0.444667 C\n0.094296 0.571090 0.055333 C\n0.405704 0.571090 0.555333 C\n0.905704 0.428909 0.944667 C\n0.757841 0.512534 0.363071 O\n0.926048 0.239701 0.944030 O\n0.242159 0.487465 0.636928 O\n0.257841 0.487465 0.136929 O\n0.426048 0.760298 0.555969 O\n0.073952 0.760298 0.055971 O\n0.742159 0.512534 0.863071 O\n0.573952 0.239701 0.444030 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"C",
"O"
],
"chemical_system": "C-O-Tl",
"density": 6.446559366122935,
"density_atomic": 0.06251725160134235,
"volume": 255.92935694019621,
"volume_molar": 9.632766325688403,
"formula_full": "Tl4 C4 O8",
"formula_reduced": "TlCO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2684474000000003,
"spacegroup": 14
},
{
"id": "jvasp-95378",
"created_at": "2022-09-04T14:36:18.056244Z",
"updated_at": "2022-09-04T14:36:18.056269Z",
"structure_string": "Zr4 V12 Sb18\n1.0\n7.246285 0.000000 0.000000\n-0.000000 9.800931 0.000000\n-0.000000 0.000000 9.800931\nZr V Sb\n4 12 18\ndirect\n0.915909 0.250000 0.250000 Zr\n0.084091 0.750000 0.750000 Zr\n0.415130 0.250000 0.250000 Zr\n0.584869 0.750000 0.750000 Zr\n0.840787 0.614807 0.250000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.159213 0.114807 0.750000 V\n0.159213 0.385193 0.750000 V\n0.159213 0.750000 0.114807 V\n0.840787 0.250000 0.614807 V\n0.840787 0.250000 0.885193 V\n0.840787 0.885193 0.250000 V\n0.159213 0.750000 0.385193 V\n0.655927 0.422147 0.422147 Sb\n0.344072 0.922147 0.922147 Sb\n0.344072 0.577853 0.922147 Sb\n0.344072 0.922147 0.577853 Sb\n0.344072 0.577853 0.577853 Sb\n0.655927 0.422147 0.077853 Sb\n0.655927 0.077853 0.422147 Sb\n0.655927 0.077853 0.077853 Sb\n0.180284 0.496952 0.250000 Sb\n0.819716 0.503048 0.750000 Sb\n0.819716 0.996952 0.750000 Sb\n0.819716 0.750000 0.503048 Sb\n0.180284 0.250000 0.003048 Sb\n0.180284 0.250000 0.496952 Sb\n0.180284 0.003048 0.250000 Sb\n0.500000 0.250000 0.750000 Sb\n0.819716 0.750000 0.996952 Sb\n0.500000 0.750000 0.250000 Sb\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Zr",
"V",
"Sb"
],
"chemical_system": "Sb-V-Zr",
"density": 7.557304522040598,
"density_atomic": 0.04884598171719529,
"volume": 696.0654449909633,
"volume_molar": 12.328835552669466,
"formula_full": "Zr4 V12 Sb18",
"formula_reduced": "Zr2(V2Sb3)3",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 3.6169052411764713,
"spacegroup": 129
}
]
}