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=-elements&page=1271",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1269",
"results": [
{
"id": "jvasp-120889",
"created_at": "2022-09-04T14:38:50.905990Z",
"updated_at": "2022-09-04T14:38:50.906007Z",
"structure_string": "Ta1 Ag1 F2\n1.0\n3.053780 0.000000 0.000000\n0.000000 3.053780 -0.000000\n0.000000 0.000000 5.947901\nTa Ag F\n1 1 2\ndirect\n0.499999 0.499999 0.533623 Ta\n0.000000 0.000000 0.876417 Ag\n0.000000 0.000000 0.395638 F\n0.499999 0.499999 0.204323 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ta",
"density": 9.783833332875705,
"density_atomic": 0.07211419619629636,
"volume": 55.46758073974666,
"volume_molar": 8.350839470785484,
"formula_full": "Ta1 Ag1 F2",
"formula_reduced": "TaAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.18991925625,
"spacegroup": 99
},
{
"id": "jvasp-120890",
"created_at": "2022-09-04T14:38:54.304948Z",
"updated_at": "2022-09-04T14:38:54.304973Z",
"structure_string": "Ta1 Ag1 F3\n1.0\n4.196414 -0.000000 -0.000000\n-0.000000 4.196414 -0.000000\n-0.000000 0.000000 4.196414\nTa Ag F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.499999 F\n0.499999 0.000000 0.000000 F\n0.000000 0.499999 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ta",
"density": 7.770577266321302,
"density_atomic": 0.06766047192175652,
"volume": 73.8983908622758,
"volume_molar": 8.900530234202453,
"formula_full": "Ta1 Ag1 F3",
"formula_reduced": "TaAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9657614614999992,
"spacegroup": 221
},
{
"id": "jvasp-12906",
"created_at": "2022-09-04T14:38:14.073413Z",
"updated_at": "2022-09-04T14:38:14.073422Z",
"structure_string": "Ta2 Ag1 F12\n1.0\n-5.084652 0.034045 -0.017270\n2.398739 4.964710 -0.011122\n-0.320954 -2.273994 -8.692478\nTa Ag F\n2 1 12\ndirect\n0.768542 0.522862 0.276944 Ta\n0.231457 0.477138 0.723056 Ta\n0.000000 0.000000 0.000000 Ag\n0.828977 0.252178 0.726563 F\n0.171021 0.747822 0.273437 F\n0.200010 0.726507 0.924777 F\n0.709318 0.750217 0.452395 F\n0.290680 0.249783 0.547605 F\n0.815006 0.279005 0.375228 F\n0.184992 0.720995 0.624772 F\n0.355267 0.303511 0.224386 F\n0.644732 0.696489 0.775614 F\n0.719519 0.738036 0.134901 F\n0.280480 0.261964 0.865099 F\n0.799988 0.273493 0.075223 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ta",
"density": 5.258464743877134,
"density_atomic": 0.06807764447549831,
"volume": 220.33664818409838,
"volume_molar": 8.845988733008259,
"formula_full": "Ta2 Ag1 F12",
"formula_reduced": "Ta2AgF12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.7496072699999995,
"spacegroup": 2
},
{
"id": "jvasp-13071",
"created_at": "2022-09-04T14:37:00.828899Z",
"updated_at": "2022-09-04T14:37:00.828934Z",
"structure_string": "Ta2 Ag2 F12\n1.0\n5.035700 -0.000000 0.000000\n0.000000 5.035700 0.000000\n0.000000 0.000000 9.443896\nTa Ag F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.250000 Ag\n0.500000 0.500000 0.750000 Ag\n0.807242 0.192758 0.856765 F\n0.192758 0.807242 0.856765 F\n0.192758 0.807242 0.143235 F\n0.192758 0.192758 0.356765 F\n0.728901 0.728901 0.000000 F\n0.271099 0.728901 0.500000 F\n0.728901 0.271099 0.500000 F\n0.271099 0.271099 0.000000 F\n0.807242 0.192758 0.143235 F\n0.807242 0.807242 0.643236 F\n0.192758 0.192758 0.643236 F\n0.807242 0.807242 0.356765 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ta",
"density": 5.586048061340485,
"density_atomic": 0.06681117170840875,
"volume": 239.4809070230131,
"volume_molar": 9.013673321406609,
"formula_full": "Ta2 Ag2 F12",
"formula_reduced": "TaAgF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4564410193749998,
"spacegroup": 132
},
{
"id": "jvasp-51173",
"created_at": "2022-09-04T14:36:59.119737Z",
"updated_at": "2022-09-04T14:36:59.119768Z",
"structure_string": "Sr1 Zr1 Zn1\n1.0\n0.000000 3.467157 3.467157\n3.467157 0.000000 3.467157\n3.467157 3.467157 0.000000\nSr Zr Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Zn"
],
"chemical_system": "Sr-Zn-Zr",
"density": 4.86562332602049,
"density_atomic": 0.035989079230831215,
"volume": 83.35862056259423,
"volume_molar": 16.73324488624576,
"formula_full": "Sr1 Zr1 Zn1",
"formula_reduced": "SrZrZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9053070700000002,
"spacegroup": 216
},
{
"id": "jvasp-21271",
"created_at": "2022-09-04T14:38:13.466402Z",
"updated_at": "2022-09-04T14:38:13.466425Z",
"structure_string": "Sr4 Zr4 S12\n1.0\n6.742349 0.000000 0.000000\n0.000000 7.164048 0.000000\n0.000000 0.000000 9.801066\nSr Zr S\n4 4 12\ndirect\n0.474237 0.081755 0.250000 Sr\n0.974237 0.418245 0.750000 Sr\n0.025763 0.581756 0.250000 Sr\n0.525763 0.918245 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.689797 0.195334 0.550778 S\n0.189797 0.304667 0.449222 S\n0.810203 0.695334 0.550778 S\n0.310203 0.804667 0.449222 S\n0.689797 0.195334 0.949222 S\n0.900084 0.980290 0.250000 S\n0.599916 0.480290 0.250000 S\n0.099916 0.019710 0.750000 S\n0.310203 0.804667 0.050778 S\n0.400084 0.519710 0.750000 S\n0.189797 0.304667 0.050778 S\n0.810203 0.695334 0.949222 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"S"
],
"chemical_system": "S-Sr-Zr",
"density": 3.858871701125425,
"density_atomic": 0.042246133397424994,
"volume": 473.4161067914217,
"volume_molar": 14.25489216574567,
"formula_full": "Sr4 Zr4 S12",
"formula_reduced": "SrZrS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.612770162,
"spacegroup": 62
},
{
"id": "jvasp-54442",
"created_at": "2022-09-04T14:37:39.516868Z",
"updated_at": "2022-09-04T14:37:39.516900Z",
"structure_string": "Sr1 Zr1 O3\n1.0\n4.380088 0.000000 0.000000\n0.000000 4.380158 0.000000\n0.000000 0.000000 4.411523\nSr Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 4.450530562112404,
"density_atomic": 0.05907569559584796,
"volume": 84.63717523033985,
"volume_molar": 10.193939655317841,
"formula_full": "Sr1 Zr1 O3",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148432262,
"spacegroup": 221
},
{
"id": "jvasp-19062",
"created_at": "2022-09-04T14:36:54.741750Z",
"updated_at": "2022-09-04T14:36:54.741776Z",
"structure_string": "Sr4 Zr4 O12\n1.0\n5.839405 -0.032289 -0.000000\n-0.034548 5.839392 0.000000\n-0.000000 0.000000 8.279063\nSr Zr O\n4 4 12\ndirect\n0.506544 0.493456 0.250000 Sr\n0.493457 0.506543 0.750000 Sr\n0.011980 0.988019 0.250000 Sr\n0.988020 0.011980 0.750000 Sr\n-0.000000 0.500000 0.500000 Zr\n0.500000 -0.000000 0.500000 Zr\n0.500000 -0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.292043 0.292043 0.500000 O\n0.707957 0.707956 0.000000 O\n0.957479 0.448182 0.750000 O\n0.211186 0.788814 0.954891 O\n0.788815 0.211186 0.454892 O\n0.788815 0.211186 0.045108 O\n0.211186 0.788814 0.545108 O\n0.551818 0.042522 0.750000 O\n0.448183 0.957478 0.250000 O\n0.042521 0.551817 0.250000 O\n0.292043 0.292043 0.000000 O\n0.707957 0.707956 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.3373997634690005,
"density_atomic": 0.07084786842816024,
"volume": 282.2950138617086,
"volume_molar": 8.500101546606802,
"formula_full": "Sr4 Zr4 O12",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6231902619999998,
"spacegroup": 63
},
{
"id": "jvasp-8037",
"created_at": "2022-09-04T14:37:04.372186Z",
"updated_at": "2022-09-04T14:37:04.372214Z",
"structure_string": "Sr1 Zr1 O3\n1.0\n4.165209 0.000000 -0.000000\n-0.000000 4.165209 0.000000\n0.000000 0.000000 4.165209\nSr Zr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.2126978687544545,
"density_atomic": 0.06919259360877208,
"volume": 72.26206938087823,
"volume_molar": 8.703447068410695,
"formula_full": "Sr1 Zr1 O3",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.632404262,
"spacegroup": 221
},
{
"id": "jvasp-35505",
"created_at": "2022-09-04T14:37:32.411475Z",
"updated_at": "2022-09-04T14:37:32.411495Z",
"structure_string": "Sr2 Zr1 O4\n1.0\n4.136037 0.000000 0.000000\n0.000000 4.136037 -0.000000\n-2.068018 -2.068018 6.408825\nSr Zr O\n2 1 4\ndirect\n0.352925 0.352925 0.705850 Sr\n0.647075 0.647075 0.294149 Sr\n0.000000 0.000000 0.000000 Zr\n0.165470 0.165470 0.330939 O\n0.834530 0.834530 0.669060 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.005216360491501,
"density_atomic": 0.06384851440314349,
"volume": 109.63450074658849,
"volume_molar": 9.431919937832584,
"formula_full": "Sr2 Zr1 O4",
"formula_reduced": "Sr2ZrO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6070244457142857,
"spacegroup": 139
},
{
"id": "jvasp-9696",
"created_at": "2022-09-04T14:37:08.141297Z",
"updated_at": "2022-09-04T14:37:08.141311Z",
"structure_string": "Sr2 Zr2 O6\n1.0\n5.018441 -0.000000 -2.895563\n-1.670695 4.732179 -2.895563\n0.041150 0.058167 5.867952\nSr Zr O\n2 2 6\ndirect\n0.249999 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500000 0.000000 Zr\n0.690900 0.190900 0.000000 O\n0.809099 0.690900 0.000000 O\n0.190900 0.309100 0.000000 O\n0.309099 0.809100 0.000000 O\n0.250000 0.250000 0.500000 O\n0.749999 0.750000 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.341333878401136,
"density_atomic": 0.07090008929776812,
"volume": 141.0435459115112,
"volume_molar": 8.493840867686428,
"formula_full": "Sr2 Zr2 O6",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6238582619999995,
"spacegroup": 140
},
{
"id": "jvasp-92284",
"created_at": "2022-09-04T14:36:15.052792Z",
"updated_at": "2022-09-04T14:36:15.052819Z",
"structure_string": "Sr1 Zr1 O3\n1.0\n4.156967 0.000000 0.000000\n0.000000 4.156967 -0.000000\n0.000000 0.000000 4.197914\nSr Zr O\n1 1 3\ndirect\n0.500000 0.500000 0.535755 Sr\n0.000000 0.000000 -0.000601 Zr\n0.000000 0.000000 0.484152 O\n0.500000 0.000000 0.962346 O\n0.000000 0.500000 0.962346 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.192616596184774,
"density_atomic": 0.06892603771640213,
"volume": 72.54152662267666,
"volume_molar": 8.737105685340925,
"formula_full": "Sr1 Zr1 O3",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6320542619999998,
"spacegroup": 99
}
]
}