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=3491",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3489",
"results": [
{
"id": "jvasp-110723",
"created_at": "2022-09-04T14:38:36.882154Z",
"updated_at": "2022-09-04T14:38:36.882179Z",
"structure_string": "V1 In3 Se4\n1.0\n6.287671 -0.000000 -2.223028\n-3.143836 5.445283 -2.223028\n-0.000000 -0.000000 6.669083\nV In Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.499999 0.500000 -0.000001 In\n-0.000000 0.500000 0.499999 In\n0.500000 0.000000 0.500000 In\n0.345007 0.000000 -0.000000 Se\n0.000000 0.000000 0.345007 Se\n0.654993 0.654993 0.654992 Se\n-0.000000 0.345006 -0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"In",
"Se"
],
"chemical_system": "In-Se-V",
"density": 5.1723289281085405,
"density_atomic": 0.03503592593210413,
"volume": 228.33705081758487,
"volume_molar": 17.188473259334614,
"formula_full": "V1 In3 Se4",
"formula_reduced": "VIn3Se4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1648859470833337,
"spacegroup": 217
},
{
"id": "jvasp-63890",
"created_at": "2022-09-04T14:36:07.671001Z",
"updated_at": "2022-09-04T14:36:07.671025Z",
"structure_string": "Ba4 P1 Cl1\n1.0\n-0.000000 4.851225 4.851225\n4.851225 -0.000000 4.851225\n4.851225 4.851225 0.000000\nBa P Cl\n4 1 1\ndirect\n0.122023 0.625993 0.625993 Ba\n0.625993 0.625993 0.625993 Ba\n0.625993 0.122023 0.625993 Ba\n0.625993 0.625993 0.122023 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 4.477736380463053,
"density_atomic": 0.02627646880717137,
"volume": 228.34118404686407,
"volume_molar": 22.918379193921364,
"formula_full": "Ba4 P1 Cl1",
"formula_reduced": "Ba4PCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3786855745833333,
"spacegroup": 216
},
{
"id": "jvasp-91552",
"created_at": "2022-09-04T14:36:18.681715Z",
"updated_at": "2022-09-04T14:36:18.681734Z",
"structure_string": "K2 Cd1 Sn1 Se4\n1.0\n-4.032579 4.032579 -3.510433\n4.032579 -4.032579 -3.510433\n-4.032579 -4.032579 3.510433\nK Cd Sn Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Sn\n0.940146 0.940146 0.349378 Se\n0.590769 0.590769 0.650622 Se\n0.059853 0.409231 0.000000 Se\n0.409231 0.059853 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Cd",
"Sn",
"Se"
],
"chemical_system": "Cd-K-Se-Sn",
"density": 4.546237966482486,
"density_atomic": 0.0350351143098316,
"volume": 228.3423404659773,
"volume_molar": 17.18887144692449,
"formula_full": "K2 Cd1 Sn1 Se4",
"formula_reduced": "K2CdSnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.2137938645833332,
"spacegroup": 121
},
{
"id": "jvasp-63986",
"created_at": "2022-09-04T14:36:05.050688Z",
"updated_at": "2022-09-04T14:36:05.050707Z",
"structure_string": "Ba4 Ru1 Cl1\n1.0\n-0.000000 4.851273 4.851273\n4.851273 -0.000000 4.851273\n4.851273 4.851273 -0.000000\nBa Ru Cl\n4 1 1\ndirect\n0.122864 0.625712 0.625712 Ba\n0.625712 0.625712 0.625712 Ba\n0.625712 0.122864 0.625712 Ba\n0.625712 0.625712 0.122864 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Cl"
],
"chemical_system": "Ba-Cl-Ru",
"density": 4.987341067239106,
"density_atomic": 0.026275688852287333,
"volume": 228.34796201651977,
"volume_molar": 22.91905949204359,
"formula_full": "Ba4 Ru1 Cl1",
"formula_reduced": "Ba4RuCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.76896974125,
"spacegroup": 216
},
{
"id": "jvasp-12274",
"created_at": "2022-09-04T14:36:43.530737Z",
"updated_at": "2022-09-04T14:36:43.530764Z",
"structure_string": "In2 Ga2 S6\n1.0\n3.730781 0.000000 -0.745961\n0.000000 6.220325 0.000000\n0.026595 0.000000 9.835389\nIn Ga S\n2 2 6\ndirect\n0.333921 0.503339 0.667841 In\n0.666080 0.003338 0.332159 In\n0.886270 0.056407 0.772538 Ga\n0.113731 0.556407 0.227462 Ga\n0.898763 0.695705 0.797525 S\n0.101238 0.195704 0.202475 S\n0.563525 0.708177 0.127050 S\n0.436476 0.208177 0.872950 S\n0.780003 0.242274 0.560004 S\n0.219998 0.742274 0.439996 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Ga",
"S"
],
"chemical_system": "Ga-In-S",
"density": 4.082611778793598,
"density_atomic": 0.04378858217119543,
"volume": 228.3700340171804,
"volume_molar": 13.752764902174487,
"formula_full": "In2 Ga2 S6",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.877734459,
"spacegroup": 36
},
{
"id": "jvasp-66543",
"created_at": "2022-09-04T14:36:06.630540Z",
"updated_at": "2022-09-04T14:36:06.630561Z",
"structure_string": "Ba4 Fe1 Se1\n1.0\n-0.000000 4.851459 4.851459\n4.851459 -0.000000 4.851459\n4.851459 4.851459 -0.000000\nBa Fe Se\n4 1 1\ndirect\n0.124871 0.625043 0.625043 Ba\n0.625043 0.625043 0.625043 Ba\n0.625043 0.124871 0.625043 Ba\n0.625043 0.625043 0.124871 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 4.974275656391567,
"density_atomic": 0.026272666818654367,
"volume": 228.3742279158286,
"volume_molar": 22.92169577442402,
"formula_full": "Ba4 Fe1 Se1",
"formula_reduced": "Ba4FeSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8318154577777777,
"spacegroup": 216
},
{
"id": "jvasp-66522",
"created_at": "2022-09-04T14:35:41.097977Z",
"updated_at": "2022-09-04T14:35:41.097996Z",
"structure_string": "Ba4 Fe1 Pd1\n1.0\n-0.000000 4.851477 4.851477\n4.851477 -0.000000 4.851477\n4.851477 4.851477 -0.000000\nBa Fe Pd\n4 1 1\ndirect\n0.124048 0.625317 0.625317 Ba\n0.625317 0.625317 0.625317 Ba\n0.625317 0.124048 0.625317 Ba\n0.625317 0.625317 0.124048 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Pd"
],
"chemical_system": "Ba-Fe-Pd",
"density": 5.173883341279641,
"density_atomic": 0.026272374388381186,
"volume": 228.37676988393812,
"volume_molar": 22.921950909253404,
"formula_full": "Ba4 Fe1 Pd1",
"formula_reduced": "Ba4FePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9164575133333333,
"spacegroup": 216
},
{
"id": "jvasp-112293",
"created_at": "2022-09-04T14:38:26.340473Z",
"updated_at": "2022-09-04T14:38:26.340507Z",
"structure_string": "B8 Os4 W8\n1.0\n3.091107 0.000000 0.000000\n0.000000 7.631468 0.000000\n-0.000000 -0.000000 9.681661\nB Os W\n8 4 8\ndirect\n0.500000 0.113339 0.460249 B\n0.500000 0.886661 0.539751 B\n-0.000000 0.386661 0.960249 B\n-0.000000 0.613339 0.039751 B\n0.500000 0.122794 0.269193 B\n0.500000 0.877206 0.730807 B\n-0.000000 0.377206 0.769192 B\n-0.000000 0.622794 0.230807 B\n-0.000000 0.116493 0.107718 Os\n-0.000000 0.883508 0.892282 Os\n0.500000 0.383508 0.607718 Os\n0.500000 0.616493 0.392282 Os\n0.500000 0.806328 0.130136 W\n0.500000 0.193672 0.869864 W\n-0.000000 0.693672 0.630136 W\n-0.000000 0.306328 0.369864 W\n0.500000 0.576044 0.860277 W\n0.500000 0.423956 0.139723 W\n-0.000000 0.923956 0.360277 W\n-0.000000 0.076044 0.639723 W\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Os",
"W"
],
"chemical_system": "B-Os-W",
"density": 16.854447171799592,
"density_atomic": 0.08757053392706289,
"volume": 228.38732508651725,
"volume_molar": 6.876903097354429,
"formula_full": "B8 Os4 W8",
"formula_reduced": "B2OsW2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.538324033333334,
"spacegroup": 58
},
{
"id": "jvasp-19300",
"created_at": "2022-09-04T14:37:08.463683Z",
"updated_at": "2022-09-04T14:37:08.463713Z",
"structure_string": "Zn6 Co4 O14\n1.0\n5.076278 -0.000000 -0.000000\n-0.000000 4.848088 -1.307694\n-0.000000 -0.090590 9.304793\nZn Co O\n6 4 14\ndirect\n0.705053 0.749749 0.000000 Zn\n0.205053 0.250252 0.000000 Zn\n0.809668 0.558134 0.605160 Zn\n0.309668 0.441867 0.394840 Zn\n0.809668 0.952972 0.394840 Zn\n0.309668 0.047028 0.605160 Zn\n0.751921 0.348289 0.201659 Co\n0.251921 0.651711 0.798341 Co\n0.251921 0.853370 0.201659 Co\n0.751921 0.146631 0.798341 Co\n0.318652 0.630315 0.000000 O\n0.818652 0.369685 0.000000 O\n0.437866 0.143330 0.150727 O\n0.937866 0.856670 0.849273 O\n0.054530 0.570366 0.263271 O\n0.554530 0.429634 0.736729 O\n0.194165 0.064557 0.402278 O\n0.054530 0.307095 0.736729 O\n0.694165 0.337722 0.402278 O\n0.194165 0.662278 0.597722 O\n0.937866 0.007397 0.150727 O\n0.694165 0.935444 0.597722 O\n0.554530 0.692905 0.263271 O\n0.437866 0.992603 0.849273 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 6.1958229129398115,
"density_atomic": 0.10508255621876078,
"volume": 228.39185554295824,
"volume_molar": 5.730866260488669,
"formula_full": "Zn6 Co4 O14",
"formula_reduced": "Zn3Co2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.798603125,
"spacegroup": 36
},
{
"id": "jvasp-13059",
"created_at": "2022-09-04T14:36:42.914341Z",
"updated_at": "2022-09-04T14:36:42.914362Z",
"structure_string": "Li4 Au4 S4\n1.0\n5.721637 0.056078 -2.834451\n-1.349494 5.560498 -2.834451\n-0.042226 -0.054245 7.216516\nLi Au S\n4 4 4\ndirect\n0.776105 0.526104 0.052208 Li\n0.473896 0.223897 0.447793 Li\n0.223896 0.473897 0.947793 Li\n0.526104 0.776105 0.552209 Li\n0.500000 0.000000 0.000000 Au\n0.000000 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n-0.000000 0.000000 0.500000 Au\n0.584558 0.415443 0.250001 S\n0.834558 0.165444 0.750001 S\n0.165443 0.834558 0.250001 S\n0.415443 0.584558 0.750001 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"S"
],
"chemical_system": "Au-Li-S",
"density": 6.86253704676492,
"density_atomic": 0.05254063756954924,
"volume": 228.3946399416133,
"volume_molar": 11.461872254649279,
"formula_full": "Li4 Au4 S4",
"formula_reduced": "LiAuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6299991899999999,
"spacegroup": 70
},
{
"id": "jvasp-61436",
"created_at": "2022-09-04T14:35:51.441463Z",
"updated_at": "2022-09-04T14:35:51.441495Z",
"structure_string": "Li4 Au4 S4\n1.0\n0.000000 4.479932 5.600612\n4.550110 -0.000816 5.601266\n4.550110 4.480748 -0.000654\nLi Au S\n4 4 4\ndirect\n0.223872 0.723921 0.526074 Li\n0.526133 0.026075 0.223920 Li\n0.776128 0.276080 0.473925 Li\n0.473867 0.973926 0.776078 Li\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.499999 Au\n-0.000000 0.500000 -0.000000 Au\n0.500000 0.500000 -0.000000 Au\n0.834579 0.915405 0.834528 S\n0.415488 0.334529 0.415404 S\n0.165421 0.084596 0.165471 S\n0.584512 0.665472 0.584595 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"S"
],
"chemical_system": "Au-Li-S",
"density": 6.862494509211895,
"density_atomic": 0.05254031189551042,
"volume": 228.39605565846293,
"volume_molar": 11.461943301700485,
"formula_full": "Li4 Au4 S4",
"formula_reduced": "LiAuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6299991899999999,
"spacegroup": 70
},
{
"id": "jvasp-85734",
"created_at": "2022-09-04T14:36:09.943687Z",
"updated_at": "2022-09-04T14:36:09.943733Z",
"structure_string": "Nd4 In2 Rh4\n1.0\n3.955457 0.000000 -0.000000\n-0.000000 7.599000 0.000000\n-0.000000 0.000000 7.599000\nNd In Rh\n4 2 4\ndirect\n0.500000 0.171895 0.671895 Nd\n0.500000 0.828105 0.328105 Nd\n0.500000 0.671895 0.828105 Nd\n0.500000 0.328105 0.171895 Nd\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.130918 0.369082 Rh\n0.000000 0.630918 0.130918 Rh\n0.000000 0.369082 0.869082 Rh\n0.000000 0.869082 0.630918 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"In",
"Rh"
],
"chemical_system": "In-Nd-Rh",
"density": 8.85660763494435,
"density_atomic": 0.043781480490612805,
"volume": 228.40707732905702,
"volume_molar": 13.754995702557862,
"formula_full": "Nd4 In2 Rh4",
"formula_reduced": "Nd2InRh2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.683771794,
"spacegroup": 127
}
]
}