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=-formula_reduced&page=3871",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3869",
"results": [
{
"id": "jvasp-40147",
"created_at": "2022-09-04T14:37:44.903243Z",
"updated_at": "2022-09-04T14:37:44.903266Z",
"structure_string": "Ca6 Sn2 S10\n1.0\n4.020621 -6.963920 0.000000\n4.020621 6.963920 0.000000\n0.000000 -0.000000 7.104119\nCa Sn S\n6 2 10\ndirect\n0.580592 0.580592 0.663236 Ca\n-0.000000 0.419408 0.663236 Ca\n0.419408 -0.000000 0.663236 Ca\n0.419408 0.419408 0.163236 Ca\n-0.000000 0.580592 0.163236 Ca\n0.580592 -0.000000 0.163236 Ca\n0.000000 0.000000 0.413241 Sn\n0.000000 0.000000 0.913241 Sn\n0.238975 -0.000000 0.163224 S\n-0.000000 0.761025 0.663224 S\n0.238975 0.238975 0.663224 S\n0.761025 -0.000000 0.663224 S\n0.666667 0.333333 0.413212 S\n0.333333 0.666667 0.913212 S\n0.333333 0.666667 0.413212 S\n0.761025 0.761025 0.163224 S\n0.666667 0.333333 0.913212 S\n-0.000000 0.238975 0.163224 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.3331706714929363,
"density_atomic": 0.045246539728839026,
"volume": 397.82047661265125,
"volume_molar": 13.309616152064855,
"formula_full": "Ca6 Sn2 S10",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.9577836622222224,
"spacegroup": 193
},
{
"id": "jvasp-116912",
"created_at": "2022-09-04T14:38:47.038000Z",
"updated_at": "2022-09-04T14:38:47.038028Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.775530535856609,
"density_atomic": 0.03767678437029836,
"volume": 716.6216663990264,
"volume_molar": 15.98369091378037,
"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.954610328888889,
"spacegroup": 8
},
{
"id": "jvasp-40199",
"created_at": "2022-09-04T14:38:19.036186Z",
"updated_at": "2022-09-04T14:38:19.036209Z",
"structure_string": "Ca6 Sn2 S10\n1.0\n7.618995 0.000000 0.000000\n-0.000000 -7.618995 -0.000000\n-3.809497 3.809497 -7.131599\nCa Sn S\n6 2 10\ndirect\n0.749999 0.749999 0.500000 Ca\n0.250000 0.250000 0.500000 Ca\n0.337975 0.162025 0.000000 Ca\n0.662025 0.837974 0.000000 Ca\n0.162025 0.662025 0.000000 Ca\n0.837974 0.337975 0.000000 Ca\n0.250000 0.749999 0.500000 Sn\n0.749999 0.250000 0.500000 Sn\n0.024079 0.190096 0.714175 S\n0.690095 0.524079 0.714175 S\n0.809904 0.309904 0.285825 S\n0.475920 0.975920 0.285825 S\n0.500000 0.500000 0.000000 S\n0.309904 0.475920 0.285825 S\n0.000000 0.000000 0.000000 S\n0.524079 0.024079 0.714175 S\n0.975920 0.809904 0.285825 S\n0.190096 0.690095 0.714175 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2030402243682397,
"density_atomic": 0.043480067793838485,
"volume": 413.98279518208943,
"volume_molar": 13.850348137804401,
"formula_full": "Ca6 Sn2 S10",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.964319217777778,
"spacegroup": 140
},
{
"id": "jvasp-18521",
"created_at": "2022-09-04T14:36:02.763878Z",
"updated_at": "2022-09-04T14:36:02.763899Z",
"structure_string": "Ca3 Sn1 O1\n1.0\n4.808827 0.000000 -0.000000\n0.000000 4.808827 0.000000\n-0.000000 0.000000 4.808827\nCa Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 3.806934552919453,
"density_atomic": 0.04496271672400876,
"volume": 111.20324491714149,
"volume_molar": 13.393631877195613,
"formula_full": "Ca3 Sn1 O1",
"formula_reduced": "Ca3SnO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-51488",
"created_at": "2022-09-04T14:37:30.587688Z",
"updated_at": "2022-09-04T14:37:30.587727Z",
"structure_string": "Ca3 Sn1 N1\n1.0\n5.835738 -0.000000 -0.000000\n-0.000000 5.835738 -0.000000\n-0.000000 0.000000 5.835738\nCa Sn N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"N"
],
"chemical_system": "Ca-N-Sn",
"density": 2.113477487018106,
"density_atomic": 0.02515837853841186,
"volume": 198.7409479655452,
"volume_molar": 23.936919268486978,
"formula_full": "Ca3 Sn1 N1",
"formula_reduced": "Ca3SnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.042213242,
"spacegroup": 221
},
{
"id": "jvasp-37879",
"created_at": "2022-09-04T14:37:32.743736Z",
"updated_at": "2022-09-04T14:37:32.743764Z",
"structure_string": "Ca6 Sn2 H4\n1.0\n0.000000 0.000000 5.234470\n4.407836 -5.647303 0.000000\n4.407836 5.647303 -0.000000\nCa Sn H\n6 2 4\ndirect\n0.250000 0.890107 0.109894 Ca\n0.250000 0.408944 0.186484 Ca\n0.750000 0.186484 0.408944 Ca\n0.250000 0.813517 0.591056 Ca\n0.750000 0.591056 0.813517 Ca\n0.750000 0.109894 0.890107 Ca\n0.750000 0.692331 0.307670 Sn\n0.250000 0.307670 0.692331 Sn\n0.000000 0.151932 0.151932 H\n0.500000 0.151932 0.151932 H\n0.000000 0.848069 0.848069 H\n0.500000 0.848069 0.848069 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"H"
],
"chemical_system": "Ca-H-Sn",
"density": 3.0708217152644006,
"density_atomic": 0.04604813205728095,
"volume": 260.59688990365044,
"volume_molar": 13.077926271816713,
"formula_full": "Ca6 Sn2 H4",
"formula_reduced": "Ca3SnH2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6635321600000003,
"spacegroup": 63
},
{
"id": "jvasp-40209",
"created_at": "2022-09-04T14:38:31.846562Z",
"updated_at": "2022-09-04T14:38:31.846589Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n0.000000 0.000000 6.957980\n1.852955 -6.681481 0.000000\n11.067631 6.667029 0.000000\nCa Sn S\n6 4 14\ndirect\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.834854 0.129136 Ca\n0.500000 0.165145 0.870864 Ca\n0.000000 0.294282 0.129136 Ca\n0.000000 0.705718 0.870864 Ca\n0.500000 0.615553 0.714406 Sn\n0.500000 0.384446 0.285594 Sn\n0.000000 0.098852 0.714406 Sn\n0.000000 0.901147 0.285594 Sn\n0.250000 0.380409 0.760819 S\n0.250000 0.619590 0.239181 S\n0.000000 0.881249 0.090634 S\n0.000000 0.118750 0.909366 S\n0.500000 0.209384 0.090634 S\n0.500000 0.790615 0.909365 S\n0.000000 -0.000000 0.500000 S\n0.750000 0.176020 0.352041 S\n0.250000 0.176020 0.352041 S\n0.250000 0.823979 0.647959 S\n0.750000 0.380409 0.760819 S\n0.500000 0.500000 0.500000 S\n0.750000 0.823979 0.647959 S\n0.750000 0.619590 0.239181 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.219437660177621,
"density_atomic": 0.03996758015629663,
"volume": 600.4866921176101,
"volume_molar": 15.067564101829294,
"formula_full": "Ca6 Sn4 S14",
"formula_reduced": "Ca3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.2101245550000002,
"spacegroup": 66
},
{
"id": "jvasp-40140",
"created_at": "2022-09-04T14:37:44.509494Z",
"updated_at": "2022-09-04T14:37:44.509527Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n3.854038 0.000000 0.000000\n0.000000 11.298545 0.000000\n0.000000 -0.000000 12.479085\nCa Sn S\n6 4 14\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.113605 0.151834 Ca\n0.000000 0.886394 0.848166 Ca\n0.000000 0.613605 0.348166 Ca\n0.000000 0.386394 0.651834 Ca\n0.500000 0.215081 0.892664 Sn\n0.500000 0.784919 0.107336 Sn\n0.500000 0.715081 0.607337 Sn\n0.500000 0.284919 0.392664 Sn\n0.500000 0.078943 0.321554 S\n0.500000 0.921057 0.678446 S\n0.500000 0.578943 0.178446 S\n0.500000 0.421057 0.821554 S\n0.500000 0.296428 0.071332 S\n0.500000 0.703572 0.928669 S\n0.000000 0.858128 0.212876 S\n0.500000 0.203572 0.571332 S\n0.000000 0.358128 0.287124 S\n0.000000 0.641872 0.712876 S\n0.500000 0.500000 0.500000 S\n0.000000 0.141872 0.787124 S\n0.500000 0.796428 0.428669 S\n0.500000 0.000000 0.000000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.557641251292382,
"density_atomic": 0.04416619512071275,
"volume": 543.4020280534569,
"volume_molar": 13.635181259197443,
"formula_full": "Ca6 Sn4 S14",
"formula_reduced": "Ca3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.1884520550000004,
"spacegroup": 55
},
{
"id": "jvasp-40197",
"created_at": "2022-09-04T14:38:36.035154Z",
"updated_at": "2022-09-04T14:38:36.035175Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n-0.000000 0.000000 -6.915922\n0.000000 -7.083848 0.000000\n-11.790347 3.541923 -0.000000\nCa Sn S\n6 4 14\ndirect\n0.250000 0.201461 0.000000 Ca\n0.750000 0.798539 0.000000 Ca\n0.250000 0.403308 0.370236 Ca\n0.750000 0.966928 0.370236 Ca\n0.750000 0.596693 0.629764 Ca\n0.250000 0.033073 0.629764 Ca\n0.250000 0.841328 0.207950 Sn\n0.750000 0.366623 0.207950 Sn\n0.750000 0.158673 0.792050 Sn\n0.250000 0.633378 0.792050 Sn\n0.500000 0.075531 0.151061 S\n0.000000 0.075531 0.151061 S\n0.000000 0.639062 0.278123 S\n0.500000 0.639062 0.278123 S\n0.000000 0.360939 0.721877 S\n0.500000 0.360939 0.721877 S\n0.750000 0.388214 0.000000 S\n0.750000 0.950335 0.588413 S\n0.750000 0.361921 0.411587 S\n0.250000 0.049666 0.411587 S\n0.000000 0.924470 0.848940 S\n0.250000 0.611786 0.000000 S\n0.250000 0.638080 0.588413 S\n0.500000 0.924470 0.848940 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.346859643256342,
"density_atomic": 0.041549455272366455,
"volume": 577.6249012814814,
"volume_molar": 14.493910258325773,
"formula_full": "Ca6 Sn4 S14",
"formula_reduced": "Ca3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.1983203883333335,
"spacegroup": 63
},
{
"id": "jvasp-40206",
"created_at": "2022-09-04T14:38:36.063902Z",
"updated_at": "2022-09-04T14:38:36.063926Z",
"structure_string": "Ca3 Sn2 S7\n1.0\n3.528182 -3.528182 0.000000\n3.528182 3.528182 -0.000000\n-3.528182 -0.000000 11.688805\nCa Sn S\n3 2 7\ndirect\n0.500000 0.500000 0.000000 Ca\n0.329717 0.329717 0.659434 Ca\n0.670283 0.670283 0.340566 Ca\n0.112298 0.112298 0.224596 Sn\n0.887702 0.887702 0.775404 Sn\n0.000000 0.000000 0.000000 S\n0.590505 0.090505 0.181012 S\n0.090505 0.590505 0.181012 S\n0.409495 0.909495 0.818989 S\n0.909495 0.409495 0.818989 S\n0.214722 0.214722 0.429443 S\n0.785278 0.785278 0.570557 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.3216306734932988,
"density_atomic": 0.04123625123560633,
"volume": 291.0060842203411,
"volume_molar": 14.603996676594242,
"formula_full": "Ca3 Sn2 S7",
"formula_reduced": "Ca3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.2135387216666669,
"spacegroup": 139
},
{
"id": "jvasp-20989",
"created_at": "2022-09-04T14:38:39.945347Z",
"updated_at": "2022-09-04T14:38:39.945376Z",
"structure_string": "Ca6 Sn26 Rh8\n1.0\n9.825171 -0.000000 0.000000\n-0.000000 9.825171 0.000000\n0.000000 0.000000 9.825171\nCa Sn Rh\n6 26 8\ndirect\n0.250000 0.500000 0.000000 Ca\n0.750000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.750000 0.500000 Ca\n0.000000 0.250000 0.500000 Ca\n0.305658 0.846516 0.000000 Sn\n0.000000 0.694342 0.846516 Sn\n0.000000 0.305658 0.846516 Sn\n0.000000 0.694342 0.153484 Sn\n0.805658 0.500000 0.346516 Sn\n0.346516 0.194342 0.500000 Sn\n0.653484 0.194342 0.500000 Sn\n0.846516 0.000000 0.694342 Sn\n0.500000 0.653484 0.805658 Sn\n0.500000 0.346516 0.194342 Sn\n0.194342 0.500000 0.346516 Sn\n0.846516 0.000000 0.305658 Sn\n0.694342 0.153484 0.000000 Sn\n0.000000 0.305658 0.153484 Sn\n0.694342 0.846516 0.000000 Sn\n0.305658 0.153484 0.000000 Sn\n0.153484 0.000000 0.305658 Sn\n0.805658 0.500000 0.653484 Sn\n0.194342 0.500000 0.653484 Sn\n0.346516 0.805658 0.500000 Sn\n0.653484 0.805658 0.500000 Sn\n0.500000 0.653484 0.194342 Sn\n0.500000 0.346516 0.805658 Sn\n0.153484 0.000000 0.694342 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.750000 0.250000 0.250000 Rh\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Rh"
],
"chemical_system": "Ca-Rh-Sn",
"density": 7.265990745779795,
"density_atomic": 0.04217349936057082,
"volume": 948.4629116975083,
"volume_molar": 14.279442899704613,
"formula_full": "Ca6 Sn26 Rh8",
"formula_reduced": "Ca3Sn13Rh4",
"formula_anonymous": "A3B4C13",
"energy_above_hull": 0.967299768,
"spacegroup": 223
},
{
"id": "jvasp-111252",
"created_at": "2022-09-04T14:38:51.502539Z",
"updated_at": "2022-09-04T14:38:51.502561Z",
"structure_string": "Ca3 Sn1\n1.0\n4.959137 -0.000000 0.000000\n0.000000 4.959137 0.000000\n-0.000000 -0.000000 4.959137\nCa Sn\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 3.2533209403537398,
"density_atomic": 0.032797570388101556,
"volume": 121.96025353911999,
"volume_molar": 18.361545348446718,
"formula_full": "Ca3 Sn1",
"formula_reduced": "Ca3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
}
]
}