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=-volume&page=1233",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1231",
"results": [
{
"id": "jvasp-30264",
"created_at": "2022-09-04T14:38:27.540851Z",
"updated_at": "2022-09-04T14:38:27.540872Z",
"structure_string": "V4 O8 F4\n1.0\n9.166639 0.000000 -0.179871\n0.000000 5.217628 0.000000\n-4.363867 0.000000 4.668916\nV O F\n4 8 4\ndirect\n0.289516 0.380624 0.539629 V\n0.289516 0.119376 0.039629 V\n0.710484 0.619376 0.460372 V\n0.710484 0.880624 0.960372 V\n0.773869 0.749577 0.773909 O\n0.226132 0.249577 0.726092 O\n0.773869 0.750423 0.273909 O\n0.226132 0.250423 0.226092 O\n0.487436 0.017759 0.737188 O\n0.512564 0.517760 0.762814 O\n0.487436 0.482241 0.237187 O\n0.512564 0.982241 0.262814 O\n0.128683 0.847752 0.879095 F\n0.128683 0.652248 0.379095 F\n0.871318 0.152248 0.120906 F\n0.871318 0.347752 0.620906 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.088786785846873,
"density_atomic": 0.07298938763986944,
"volume": 219.209949793581,
"volume_molar": 8.250707335309235,
"formula_full": "V4 O8 F4",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6248203706250002,
"spacegroup": 57
},
{
"id": "jvasp-66120",
"created_at": "2022-09-04T14:36:14.699781Z",
"updated_at": "2022-09-04T14:36:14.699802Z",
"structure_string": "Ba4 Re1 Sn1\n1.0\n-0.000000 4.785658 4.785658\n4.785658 -0.000000 4.785658\n4.785658 4.785658 0.000000\nBa Re Sn\n4 1 1\ndirect\n0.126670 0.624443 0.624443 Ba\n0.624443 0.624443 0.624443 Ba\n0.624443 0.126670 0.624443 Ba\n0.624443 0.624443 0.126670 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Sn"
],
"chemical_system": "Ba-Re-Sn",
"density": 6.4709255290859575,
"density_atomic": 0.027371353727952172,
"volume": 219.20727997726618,
"volume_molar": 22.001618260663776,
"formula_full": "Ba4 Re1 Sn1",
"formula_reduced": "Ba4ReSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3591905966666666,
"spacegroup": 216
},
{
"id": "jvasp-86240",
"created_at": "2022-09-04T14:35:56.063480Z",
"updated_at": "2022-09-04T14:35:56.063494Z",
"structure_string": "U4 Re8\n1.0\n5.379817 0.157168 0.000000\n-2.322010 4.855452 -0.000000\n-0.000000 0.000000 8.276188\nU Re\n4 8\ndirect\n0.337438 0.662562 0.585499 U\n0.662562 0.337438 0.085499 U\n0.662562 0.337438 0.414501 U\n0.337438 0.662562 0.914501 U\n0.175457 0.824543 0.250000 Re\n0.167150 0.341312 0.250000 Re\n0.832850 0.658688 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.658688 0.832850 0.250000 Re\n0.341313 0.167150 0.750000 Re\n0.824543 0.175457 0.750000 Re\n0.000000 0.000000 0.500000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Re"
],
"chemical_system": "Re-U",
"density": 18.496989249494458,
"density_atomic": 0.05474294374317013,
"volume": 219.20633381169148,
"volume_molar": 11.000761647479612,
"formula_full": "U4 Re8",
"formula_reduced": "URe2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.853567333333334,
"spacegroup": 63
},
{
"id": "jvasp-86842",
"created_at": "2022-09-04T14:35:53.866324Z",
"updated_at": "2022-09-04T14:35:53.866351Z",
"structure_string": "U4 Re8\n1.0\n5.379830 0.157200 -0.000000\n-2.321988 4.855477 0.000000\n-0.000000 0.000000 8.275772\nU Re\n4 8\ndirect\n0.337473 0.662528 0.585490 U\n0.662527 0.337473 0.085490 U\n0.662527 0.337473 0.414510 U\n0.337473 0.662528 0.914510 U\n0.175438 0.824563 0.250000 Re\n0.167098 0.341328 0.250000 Re\n0.832902 0.658672 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.658672 0.832902 0.250000 Re\n0.341328 0.167098 0.750000 Re\n0.824562 0.175438 0.750000 Re\n0.000000 0.000000 0.500000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Re"
],
"chemical_system": "Re-U",
"density": 18.49773155103818,
"density_atomic": 0.05474514062889572,
"volume": 219.19753720873865,
"volume_molar": 11.000320194303013,
"formula_full": "U4 Re8",
"formula_reduced": "URe2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.853567333333334,
"spacegroup": 63
},
{
"id": "jvasp-117034",
"created_at": "2022-09-04T14:38:47.867978Z",
"updated_at": "2022-09-04T14:38:47.868003Z",
"structure_string": "Ca1 Co3 Si4 O12\n1.0\n5.082729 -0.031816 1.117593\n1.318214 6.479087 0.599072\n-0.049940 0.041874 6.638609\nCa Co Si O\n1 3 4 12\ndirect\n0.750002 0.700396 0.299605 Ca\n0.749998 0.092791 0.907207 Co\n0.250003 0.903204 0.096796 Co\n0.250001 0.242615 0.757388 Co\n0.741538 0.613653 0.795646 Si\n0.758458 0.204349 0.386347 Si\n0.266286 0.384404 0.201343 Si\n0.233712 0.798660 0.615595 Si\n0.006030 0.331444 0.380064 O\n0.493964 0.619940 0.668558 O\n0.329726 0.892672 0.387370 O\n0.170277 0.612628 0.107329 O\n0.632567 0.134373 0.621467 O\n0.852311 0.030041 0.215307 O\n0.143501 0.962079 0.799507 O\n0.356498 0.200493 0.037921 O\n0.521257 0.389635 0.311908 O\n0.647693 0.784685 0.969960 O\n0.867433 0.378534 0.865617 O\n0.978740 0.688097 0.610362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.948524662550863,
"density_atomic": 0.0912433088881039,
"volume": 219.19415509719153,
"volume_molar": 6.600090278822794,
"formula_full": "Ca1 Co3 Si4 O12",
"formula_reduced": "CaCo3(SiO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.1004454759999995,
"spacegroup": 5
},
{
"id": "jvasp-17480",
"created_at": "2022-09-04T14:38:29.633368Z",
"updated_at": "2022-09-04T14:38:29.633384Z",
"structure_string": "Ce3 In3 Au3\n1.0\n3.841047 -6.652889 0.000000\n3.841047 6.652889 0.000000\n0.000000 -0.000000 4.288747\nCe In Au\n3 3 3\ndirect\n0.000000 0.587531 0.000000 Ce\n0.587531 0.000000 0.000000 Ce\n0.412469 0.412469 0.000000 Ce\n0.748483 0.748483 0.500000 In\n0.000000 0.251518 0.500000 In\n0.251518 0.000000 0.500000 In\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.500000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"In",
"Au"
],
"chemical_system": "Au-Ce-In",
"density": 10.270531491292063,
"density_atomic": 0.04106030657063485,
"volume": 219.1897906197452,
"volume_molar": 14.66657524741148,
"formula_full": "Ce3 In3 Au3",
"formula_reduced": "CeInAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4117643466666665,
"spacegroup": 189
},
{
"id": "jvasp-110651",
"created_at": "2022-09-04T14:38:36.860041Z",
"updated_at": "2022-09-04T14:38:36.860062Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n9.394606 -0.000000 0.000000\n0.000000 3.734219 -0.581382\n-0.000000 -0.912192 6.389985\nCa Sn S\n2 2 6\ndirect\n0.750010 0.753626 0.006980 Ca\n0.250010 0.246375 0.993021 Ca\n-0.000005 0.500004 0.499983 Sn\n0.499995 0.499997 0.500018 Sn\n0.749994 0.418636 0.337543 S\n0.249994 0.581365 0.662458 S\n0.048405 -0.143140 0.213555 S\n0.451597 0.856846 0.213589 S\n0.548405 0.143140 0.786445 S\n0.951597 0.143155 0.786412 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.863432628320118,
"density_atomic": 0.04562291429734687,
"volume": 219.18810216342393,
"volume_molar": 13.199816041453994,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.974828424,
"spacegroup": 63
},
{
"id": "jvasp-59633",
"created_at": "2022-09-04T14:37:36.640736Z",
"updated_at": "2022-09-04T14:37:36.640749Z",
"structure_string": "Ca2 Tb2 F12\n1.0\n5.261054 0.000000 0.000000\n-0.000000 5.261054 0.000000\n0.000000 0.000000 7.918933\nTb Ca F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 Tb\n0.500000 0.500000 0.250000 Tb\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.630940 0.286495 0.500000 F\n0.713504 0.630940 0.000000 F\n0.286495 0.369059 0.000000 F\n0.369059 0.713504 0.500000 F\n0.147730 0.289905 0.318710 F\n0.710094 0.147730 0.818710 F\n0.289905 0.852269 0.818710 F\n0.852269 0.710094 0.318710 F\n0.852269 0.710094 0.681290 F\n0.289905 0.852269 0.181290 F\n0.710094 0.147730 0.181290 F\n0.147730 0.289905 0.681290 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Ca",
"F"
],
"chemical_system": "Ca-F-Tb",
"density": 4.742448219754595,
"density_atomic": 0.0729974678006931,
"volume": 219.185685230688,
"volume_molar": 8.2497940564766,
"formula_full": "Ca2 Tb2 F12",
"formula_reduced": "CaTbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 84
},
{
"id": "jvasp-22656",
"created_at": "2022-09-04T14:36:51.717609Z",
"updated_at": "2022-09-04T14:36:51.717632Z",
"structure_string": "Hg2 I2 Br2\n1.0\n4.329642 -0.138917 0.000000\n-1.800490 3.939965 -0.000000\n-0.000000 0.000000 13.039319\nHg I Br\n2 2 2\ndirect\n0.844031 0.155968 0.001194 Hg\n0.155968 0.844033 0.501194 Hg\n0.892662 0.107336 0.641693 I\n0.107337 0.892664 0.141693 I\n0.593358 0.406641 0.869113 Br\n0.406641 0.593359 0.369113 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hg",
"I",
"Br"
],
"chemical_system": "Br-Hg-I",
"density": 6.173253624751837,
"density_atomic": 0.027375804053669926,
"volume": 219.17164472090295,
"volume_molar": 21.99804158516647,
"formula_full": "Hg2 I2 Br2",
"formula_reduced": "HgIBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1186799999999999,
"spacegroup": 36
},
{
"id": "jvasp-94772",
"created_at": "2022-09-04T14:36:01.772100Z",
"updated_at": "2022-09-04T14:36:01.772109Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.752651 0.739351 0.000000\n-2.736029 6.217642 0.000000\n0.000000 0.000000 4.980182\nRb Mg Al\n1 6 1\ndirect\n0.382842 0.117158 0.750000 Rb\n0.098937 0.784510 0.250000 Mg\n0.715489 0.401063 0.250000 Mg\n0.637949 0.862050 0.250000 Mg\n0.298734 0.594629 0.750000 Mg\n0.905371 0.201266 0.750000 Mg\n0.808928 0.691072 0.750000 Mg\n0.151748 0.348251 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 1.9568496271494948,
"density_atomic": 0.03650132904566829,
"volume": 219.17010172399137,
"volume_molar": 16.498415037067435,
"formula_full": "Rb1 Mg6 Al1",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.2499999999998623e-05,
"spacegroup": 38
},
{
"id": "jvasp-23415",
"created_at": "2022-09-04T14:37:32.912663Z",
"updated_at": "2022-09-04T14:37:32.912689Z",
"structure_string": "Tb4 Si4 Ir4\n1.0\n4.276045 -0.000000 0.000000\n-0.000000 6.921572 0.000000\n0.000000 0.000000 7.405015\nTb Si Ir\n4 4 4\ndirect\n0.749999 0.502736 0.813669 Tb\n0.250000 0.997264 0.313669 Tb\n0.749999 0.002736 0.686332 Tb\n0.250000 0.497264 0.186332 Tb\n0.250000 0.800837 0.893482 Si\n0.250000 0.300837 0.606519 Si\n0.749999 0.199163 0.106518 Si\n0.749999 0.699162 0.393482 Si\n0.250000 0.659308 0.572108 Ir\n0.250000 0.159309 0.927893 Ir\n0.749999 0.840691 0.072108 Ir\n0.749999 0.340691 0.427893 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tb",
"density": 11.493078213342315,
"density_atomic": 0.054753047375361734,
"volume": 219.16588345728985,
"volume_molar": 10.998731666412958,
"formula_full": "Tb4 Si4 Ir4",
"formula_reduced": "TbSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3721460333333333,
"spacegroup": 62
},
{
"id": "jvasp-40957",
"created_at": "2022-09-04T14:37:43.198864Z",
"updated_at": "2022-09-04T14:37:43.198890Z",
"structure_string": "Ho4 Mg2 Ge4\n1.0\n7.211632 0.000000 0.000000\n0.000000 7.211632 -0.000000\n0.000000 -0.000000 4.214007\nHo Mg Ge\n4 2 4\ndirect\n0.177122 0.322878 0.500000 Ho\n0.322878 0.822878 0.500000 Ho\n0.677122 0.177122 0.500000 Ho\n0.822878 0.677122 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.124754 0.624754 0.000000 Ge\n0.375245 0.124754 0.000000 Ge\n0.624754 0.875245 0.000000 Ge\n0.875245 0.375245 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ge"
],
"chemical_system": "Ge-Ho-Mg",
"density": 7.568415254402314,
"density_atomic": 0.04562865140627991,
"volume": 219.16054259328143,
"volume_molar": 13.198156365347161,
"formula_full": "Ho4 Mg2 Ge4",
"formula_reduced": "Ho2MgGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5998784166666664,
"spacegroup": 127
}
]
}