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_molar&page=4047",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4045",
"results": [
{
"id": "jvasp-35072",
"created_at": "2022-09-04T14:37:36.779096Z",
"updated_at": "2022-09-04T14:37:36.779114Z",
"structure_string": "Sm2 Sb2 Te2\n1.0\n4.331472 0.000000 -0.000000\n0.000000 4.331472 0.000000\n-0.000000 0.000000 9.388853\nSm Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.725108 Sm\n0.000000 0.500000 0.274892 Sm\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.375059 Te\n0.000000 0.500000 0.624940 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Te"
],
"chemical_system": "Sb-Sm-Te",
"density": 7.536182548285975,
"density_atomic": 0.034061807351033736,
"volume": 176.15037094671098,
"volume_molar": 17.680038812788467,
"formula_full": "Sm2 Sb2 Te2",
"formula_reduced": "SmSbTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8021342472222223,
"spacegroup": 129
},
{
"id": "jvasp-116182",
"created_at": "2022-09-04T14:38:41.999265Z",
"updated_at": "2022-09-04T14:38:41.999296Z",
"structure_string": "I2 N1\n1.0\n4.107954 -0.149355 0.340757\n-2.549304 -3.244277 0.052189\n-1.299231 -1.271688 -6.428743\nI N\n2 1\ndirect\n0.802244 0.180311 0.352865 I\n0.650728 0.315601 0.814843 I\n0.880743 0.098666 0.083979 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 5.049201756584486,
"density_atomic": 0.034061121726459705,
"volume": 88.07695836010913,
"volume_molar": 17.680394698574535,
"formula_full": "I2 N1",
"formula_reduced": "I2N",
"formula_anonymous": "AB2",
"energy_above_hull": 1.659021933333333,
"spacegroup": 8
},
{
"id": "jvasp-68973",
"created_at": "2022-09-04T14:36:03.427881Z",
"updated_at": "2022-09-04T14:36:03.427901Z",
"structure_string": "Ba1 Si2 Br1\n1.0\n-2.137920 2.137920 6.423515\n2.137920 -2.137920 6.423515\n2.137920 2.137920 -6.423515\nBa Si Br\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Br"
],
"chemical_system": "Ba-Br-Si",
"density": 3.865762337384221,
"density_atomic": 0.034059977540002666,
"volume": 117.43988953903717,
"volume_molar": 17.680988641073334,
"formula_full": "Ba1 Si2 Br1",
"formula_reduced": "BaSi2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4365443187499998,
"spacegroup": 139
},
{
"id": "jvasp-111254",
"created_at": "2022-09-04T14:38:49.385959Z",
"updated_at": "2022-09-04T14:38:49.385995Z",
"structure_string": "Ca1 Yb1 Pb2\n1.0\n4.760441 -0.000000 2.748442\n1.586814 4.488187 2.748442\n-0.000000 -0.000000 5.496884\nYb Ca Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.500000 0.499999 Ca\n0.250000 0.250000 0.250000 Pb\n0.749999 0.750001 0.749999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Yb",
"density": 8.872389162021916,
"density_atomic": 0.034058482102288026,
"volume": 117.44504608240548,
"volume_molar": 17.68176497682331,
"formula_full": "Ca1 Yb1 Pb2",
"formula_reduced": "CaYbPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106905",
"created_at": "2022-09-04T14:36:53.512001Z",
"updated_at": "2022-09-04T14:36:53.512021Z",
"structure_string": "Na3 Sb1 Cl6\n1.0\n6.461020 -0.000000 3.730272\n2.153673 6.091508 3.730272\n-0.000000 -0.000000 7.460543\nNa Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750429 0.249571 0.249571 Cl\n0.249571 0.249571 0.750428 Cl\n0.249571 0.750429 0.750428 Cl\n0.249571 0.750429 0.249571 Cl\n0.750429 0.249571 0.750428 Cl\n0.750428 0.750429 0.249571 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Sb",
"density": 2.2816003623201415,
"density_atomic": 0.034056785800033816,
"volume": 293.62723947924854,
"volume_molar": 17.682645671142637,
"formula_full": "Na3 Sb1 Cl6",
"formula_reduced": "Na3SbCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20108",
"created_at": "2022-09-04T14:36:58.886124Z",
"updated_at": "2022-09-04T14:36:58.886143Z",
"structure_string": "Tb1 Te1\n1.0\n3.778550 0.000000 2.181547\n1.259517 3.562452 2.181547\n-0.000000 0.000000 4.363095\nTb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 8.10108679253,
"density_atomic": 0.03405345111031323,
"volume": 58.73119859485524,
"volume_molar": 17.684377247086623,
"formula_full": "Tb1 Te1",
"formula_reduced": "TbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1075280833333334,
"spacegroup": 225
},
{
"id": "jvasp-36119",
"created_at": "2022-09-04T14:37:35.306928Z",
"updated_at": "2022-09-04T14:37:35.306964Z",
"structure_string": "In2 As2\n1.0\n2.175466 -3.768019 0.000000\n2.175466 3.768019 -0.000000\n0.000000 -0.000000 7.164813\nIn As\n2 2\ndirect\n0.666668 0.333334 0.499240 In\n0.333334 0.666668 0.999240 In\n0.666668 0.333334 0.125259 As\n0.333334 0.666668 0.625259 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"As"
],
"chemical_system": "As-In",
"density": 5.364593685434157,
"density_atomic": 0.034053342902647665,
"volume": 117.46277043740683,
"volume_molar": 17.68443344084077,
"formula_full": "In2 As2",
"formula_reduced": "InAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.50720586,
"spacegroup": 186
},
{
"id": "jvasp-92526",
"created_at": "2022-09-04T14:36:19.262618Z",
"updated_at": "2022-09-04T14:36:19.262645Z",
"structure_string": "Ba1 Sn3 Au1\n1.0\n5.109643 -0.000000 -0.000000\n-0.000000 5.109643 -0.000000\n-2.554821 -2.554821 5.623907\nBa Sn Au\n1 3 1\ndirect\n-0.000457 -0.000457 -0.000914 Ba\n0.600911 0.600911 0.201823 Sn\n0.249902 0.749901 0.499804 Sn\n0.749901 0.249902 0.499804 Sn\n0.357632 0.357632 0.715263 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Au"
],
"chemical_system": "Au-Ba-Sn",
"density": 7.8081016702154145,
"density_atomic": 0.03405263772410262,
"volume": 146.83150364181554,
"volume_molar": 17.684799658669313,
"formula_full": "Ba1 Sn3 Au1",
"formula_reduced": "BaSn3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.196739728,
"spacegroup": 107
},
{
"id": "jvasp-10183",
"created_at": "2022-09-04T14:37:16.371101Z",
"updated_at": "2022-09-04T14:37:16.371125Z",
"structure_string": "Ba2 Ga4 Se8\n1.0\n6.501387 -0.116590 0.000000\n-3.311040 5.596305 0.000000\n0.000000 0.000000 11.421080\nBa Ga Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ba\n0.500000 0.500000 0.750000 Ba\n0.242560 0.759138 0.500000 Ga\n0.757441 0.240862 0.500000 Ga\n0.240863 0.757441 0.000000 Ga\n0.759138 0.242560 0.000000 Ga\n0.500000 0.000000 0.336136 Se\n0.000000 0.500000 0.163864 Se\n0.653132 0.825016 0.000000 Se\n0.346868 0.174985 0.000000 Se\n0.825016 0.653132 0.500000 Se\n0.174985 0.346868 0.500000 Se\n0.500000 0.000000 0.663865 Se\n0.000000 0.500000 0.836136 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Se"
],
"chemical_system": "Ba-Ga-Se",
"density": 4.787052768007154,
"density_atomic": 0.03405226332043746,
"volume": 411.13273054004287,
"volume_molar": 17.68499410253778,
"formula_full": "Ba2 Ga4 Se8",
"formula_reduced": "Ba(GaSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5956121815476192,
"spacegroup": 66
},
{
"id": "jvasp-25235",
"created_at": "2022-09-04T14:38:30.672186Z",
"updated_at": "2022-09-04T14:38:30.672224Z",
"structure_string": "Hg3\n1.0\n3.438907 -0.001811 0.640082\n1.680564 3.021533 0.524536\n0.212277 0.447468 8.547903\nHg\n3\ndirect\n0.221895 0.222216 0.335329 Hg\n0.778106 0.777784 0.664671 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.341241185401797,
"density_atomic": 0.03404883136507374,
"volume": 88.10875086530311,
"volume_molar": 17.68677666328757,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2415346,
"spacegroup": 166
},
{
"id": "jvasp-22637",
"created_at": "2022-09-04T14:36:44.679715Z",
"updated_at": "2022-09-04T14:36:44.679739Z",
"structure_string": "Cd1 In2 Se4\n1.0\n5.859546 0.000000 0.000000\n0.000000 5.859546 0.000000\n0.000000 -0.000000 5.987832\nCd In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.723590 0.276410 0.770082 Se\n0.276410 0.276410 0.229918 Se\n0.276410 0.723590 0.770082 Se\n0.723590 0.723590 0.229918 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"In",
"Se"
],
"chemical_system": "Cd-In-Se",
"density": 5.313771305578701,
"density_atomic": 0.034048697034280616,
"volume": 205.5878964458558,
"volume_molar": 17.686846442132104,
"formula_full": "Cd1 In2 Se4",
"formula_reduced": "Cd(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.504388581428571,
"spacegroup": 111
},
{
"id": "jvasp-100227",
"created_at": "2022-09-04T14:36:32.826599Z",
"updated_at": "2022-09-04T14:36:32.826621Z",
"structure_string": "Th6 Ti2\n1.0\n6.877847 -0.000000 0.000000\n-3.438924 5.956390 0.000000\n-0.000000 -0.000000 5.735381\nTh Ti\n6 2\ndirect\n0.174700 0.349401 0.250000 Th\n0.650600 0.825301 0.250000 Th\n0.174700 0.825301 0.250000 Th\n0.825301 0.650599 0.750000 Th\n0.349401 0.174699 0.750000 Th\n0.825301 0.174699 0.750000 Th\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Ti"
],
"chemical_system": "Th-Ti",
"density": 10.515819743986134,
"density_atomic": 0.03404803692854509,
"volume": 234.96215117450674,
"volume_molar": 17.687189345565983,
"formula_full": "Th6 Ti2",
"formula_reduced": "Th3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5351737833333337,
"spacegroup": 194
}
]
}