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=3796",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3794",
"results": [
{
"id": "jvasp-108830",
"created_at": "2022-09-04T14:38:27.647247Z",
"updated_at": "2022-09-04T14:38:27.647267Z",
"structure_string": "Co2 O2 F2\n1.0\n4.477532 0.060146 0.000000\n-0.580748 4.440117 0.000000\n-0.000000 -0.000000 2.919818\nCo O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.301384 0.301385 -0.000000 O\n0.698616 0.698617 -0.000000 O\n0.209555 0.790445 0.500000 F\n0.790444 0.209557 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.364592881643313,
"density_atomic": 0.10318106083274146,
"volume": 58.15020655511692,
"volume_molar": 5.836478818299812,
"formula_full": "Co2 O2 F2",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1550748941666666,
"spacegroup": 65
},
{
"id": "jvasp-117707",
"created_at": "2022-09-04T14:38:27.649875Z",
"updated_at": "2022-09-04T14:38:27.649886Z",
"structure_string": "Zr1 Ag1 F3\n1.0\n4.238008 0.000000 -0.000000\n0.000000 4.238008 0.000000\n-0.000000 0.000000 4.238008\nZr Ag F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zr",
"density": 5.586656999235205,
"density_atomic": 0.0656877956073873,
"volume": 76.11764032826969,
"volume_molar": 9.167822887517854,
"formula_full": "Zr1 Ag1 F3",
"formula_reduced": "ZrAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3065565214999998,
"spacegroup": 221
},
{
"id": "jvasp-109210",
"created_at": "2022-09-04T14:38:27.650398Z",
"updated_at": "2022-09-04T14:38:27.650409Z",
"structure_string": "Sr2 Sn2 N4\n1.0\n4.002761 0.000000 0.000000\n0.000000 4.002761 0.000000\n-0.000000 0.000000 8.459123\nSr Sn N\n2 2 4\ndirect\n0.750000 0.750000 0.139840 Sr\n0.250000 0.250000 0.860160 Sr\n0.750000 0.750000 0.607586 Sn\n0.250000 0.250000 0.392414 Sn\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.849575 N\n0.250000 0.250000 0.150424 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"N"
],
"chemical_system": "N-Sn-Sr",
"density": 5.742316958196683,
"density_atomic": 0.05902626832715738,
"volume": 135.53287759374214,
"volume_molar": 10.202475830967067,
"formula_full": "Sr2 Sn2 N4",
"formula_reduced": "SrSnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4345011275,
"spacegroup": 129
},
{
"id": "jvasp-109407",
"created_at": "2022-09-04T14:38:27.651969Z",
"updated_at": "2022-09-04T14:38:27.651992Z",
"structure_string": "Cr4 Te3 Se1\n1.0\n4.024893 0.000000 0.000000\n-2.012447 3.485659 0.000000\n-0.000000 -0.000000 12.539463\nCr Te Se\n4 3 1\ndirect\n0.000000 0.000000 0.116831 Cr\n0.000000 0.000000 0.627673 Cr\n0.000000 0.000000 0.372327 Cr\n0.000000 0.000000 0.883169 Cr\n0.666666 0.333333 0.500000 Te\n0.333333 0.666667 0.244371 Te\n0.333333 0.666667 0.755628 Te\n0.666666 0.333333 -0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Te",
"Se"
],
"chemical_system": "Cr-Se-Te",
"density": 6.321789236791968,
"density_atomic": 0.04547490613096056,
"volume": 175.92119875874536,
"volume_molar": 13.242777769913774,
"formula_full": "Cr4 Te3 Se1",
"formula_reduced": "Cr4Te3Se",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.3851495333333337,
"spacegroup": 187
},
{
"id": "jvasp-117709",
"created_at": "2022-09-04T14:38:27.654039Z",
"updated_at": "2022-09-04T14:38:27.654057Z",
"structure_string": "Zr1 Ag1 F1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nZr Ag F\n1 1 1\ndirect\n-0.004341 -0.034665 0.000000 Zr\n0.340092 -0.001106 0.000000 Ag\n-0.001432 0.269349 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zr",
"density": 1.7434556697071217,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Zr1 Ag1 F1",
"formula_reduced": "ZrAgF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3436540141666669,
"spacegroup": 6
},
{
"id": "jvasp-109266",
"created_at": "2022-09-04T14:38:27.654049Z",
"updated_at": "2022-09-04T14:38:27.654075Z",
"structure_string": "Ba6 Dy2\n1.0\n8.260564 0.000000 0.000000\n-4.130282 7.153858 0.000000\n-0.000000 -0.000000 6.627084\nBa Dy\n6 2\ndirect\n0.171566 0.343132 0.250000 Ba\n0.656868 0.828434 0.250000 Ba\n0.171566 0.828434 0.250000 Ba\n0.828434 0.656868 0.750000 Ba\n0.343132 0.171566 0.750000 Ba\n0.828434 0.171566 0.750000 Ba\n0.333333 0.666667 0.750000 Dy\n0.666666 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Dy"
],
"chemical_system": "Ba-Dy",
"density": 4.871719464203063,
"density_atomic": 0.020427607086606018,
"volume": 391.62687857088474,
"volume_molar": 29.480402351916194,
"formula_full": "Ba6 Dy2",
"formula_reduced": "Ba3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2114286024999999,
"spacegroup": 194
},
{
"id": "jvasp-119753",
"created_at": "2022-09-04T14:38:27.656097Z",
"updated_at": "2022-09-04T14:38:27.656108Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.083890 -0.018551 1.728808\n1.257019 4.926073 1.728808\n0.006822 0.005280 7.110268\nMn O F\n6 10 2\ndirect\n0.326139 0.326139 0.155344 Mn\n0.673402 0.673402 0.332531 Mn\n0.345105 0.345105 0.681273 Mn\n0.669280 0.669280 0.837476 Mn\n0.995888 0.995888 0.491738 Mn\n0.994016 0.994016 0.009649 Mn\n0.302519 0.692643 -0.000599 O\n0.692643 0.302519 -0.000599 O\n0.361278 0.971019 0.332674 O\n0.032045 0.638007 0.666045 O\n0.570160 0.570160 0.627599 O\n0.767524 0.767523 0.038905 O\n0.897186 0.897185 0.296622 O\n0.638007 0.032045 0.666045 O\n0.971019 0.361278 0.332674 O\n0.227503 0.227503 0.965862 O\n0.103877 0.103877 0.700501 F\n0.432409 0.432409 0.366267 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.918239861921392,
"density_atomic": 0.10104448708349295,
"volume": 178.13935742111906,
"volume_molar": 5.959890473810719,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.0232043896264367,
"spacegroup": 8
},
{
"id": "jvasp-109435",
"created_at": "2022-09-04T14:38:27.656650Z",
"updated_at": "2022-09-04T14:38:27.656678Z",
"structure_string": "K2 Na1 As1 F6\n1.0\n5.228984 -0.000000 3.018955\n1.742995 4.929933 3.018955\n-0.000000 -0.000000 6.037910\nK Na As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250001 K\n0.749999 0.750000 0.750002 K\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 As\n0.241255 0.241255 0.758746 F\n0.241254 0.758745 0.758746 F\n0.758744 0.758745 0.241257 F\n0.241254 0.758745 0.241256 F\n0.758744 0.241255 0.758746 F\n0.758744 0.241255 0.241256 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"As",
"F"
],
"chemical_system": "As-F-K-Na",
"density": 3.094920149646811,
"density_atomic": 0.06424732273154014,
"volume": 155.6485091493287,
"volume_molar": 9.373372311814054,
"formula_full": "K2 Na1 As1 F6",
"formula_reduced": "K2NaAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108831",
"created_at": "2022-09-04T14:38:27.659352Z",
"updated_at": "2022-09-04T14:38:27.659369Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.877544 -0.000000 0.000000\n0.000000 2.877544 0.000000\n-0.000000 -0.000000 8.661831\nLi Ni O F\n1 3 3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.499999 0.499999 0.755465 Ni\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.244535 Ni\n0.000000 0.000000 0.752109 O\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.247891 O\n0.499999 0.499999 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.7885045661904595,
"density_atomic": 0.11154146257868815,
"volume": 71.72220818205886,
"volume_molar": 5.399015416129777,
"formula_full": "Li1 Ni3 O3 F1",
"formula_reduced": "LiNi3O3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.4310947478125,
"spacegroup": 123
},
{
"id": "jvasp-29602",
"created_at": "2022-09-04T14:38:27.661975Z",
"updated_at": "2022-09-04T14:38:27.662003Z",
"structure_string": "Zn1 Br2\n1.0\n3.666504 0.036456 5.474116\n1.690858 3.253548 5.474116\n0.059364 0.036456 6.588298\nZn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.746528 0.746533 0.746532 Br\n0.253469 0.253470 0.253470 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zn",
"Br"
],
"chemical_system": "Br-Zn",
"density": 4.872918671557037,
"density_atomic": 0.039089503228827975,
"volume": 76.74694616706054,
"volume_molar": 15.406030423939368,
"formula_full": "Zn1 Br2",
"formula_reduced": "ZnBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-110184",
"created_at": "2022-09-04T14:38:27.662856Z",
"updated_at": "2022-09-04T14:38:27.662877Z",
"structure_string": "Pd1 Pt1 Au1\n1.0\n2.836683 0.000000 0.000000\n-1.418342 2.456640 0.000000\n-0.000000 -0.000000 7.007189\nPd Pt Au\n1 1 1\ndirect\n0.000000 0.000000 0.336522 Pd\n0.666666 0.333333 0.660242 Pt\n0.333333 0.666667 0.003236 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pd",
"Pt",
"Au"
],
"chemical_system": "Au-Pd-Pt",
"density": 16.95088831754696,
"density_atomic": 0.0614363064776554,
"volume": 48.831060524302686,
"volume_molar": 9.802250664581004,
"formula_full": "Pd1 Pt1 Au1",
"formula_reduced": "PdPtAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3872382233333336,
"spacegroup": 156
},
{
"id": "jvasp-109118",
"created_at": "2022-09-04T14:38:27.667811Z",
"updated_at": "2022-09-04T14:38:27.667838Z",
"structure_string": "Zr3 Zn3 Ge3\n1.0\n6.999067 -0.000000 0.000000\n-3.499533 6.061370 0.000000\n-0.000000 -0.000000 3.746429\nZr Zn Ge\n3 3 3\ndirect\n0.628558 0.000000 -0.000000 Zr\n0.000000 0.628558 -0.000000 Zr\n0.371443 0.371442 -0.000000 Zr\n0.333334 0.666667 0.500000 Zn\n0.666667 0.333333 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.295488 0.000000 0.500000 Ge\n0.000000 0.295488 0.500000 Ge\n0.704513 0.704512 0.500000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Ge"
],
"chemical_system": "Ge-Zn-Zr",
"density": 7.1861257603057505,
"density_atomic": 0.05662576168486275,
"volume": 158.93825941074957,
"volume_molar": 10.634984114676985,
"formula_full": "Zr3 Zn3 Ge3",
"formula_reduced": "ZrZnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9194736166666668,
"spacegroup": 189
}
]
}