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=energy_above_hull&page=553",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=551",
"results": [
{
"id": "jvasp-12465",
"created_at": "2022-09-04T14:37:28.411370Z",
"updated_at": "2022-09-04T14:37:28.411397Z",
"structure_string": "Bi4 Cl12\n1.0\n6.301279 0.000000 0.000000\n0.000000 7.497354 0.000000\n0.000000 0.000000 8.852501\nBi Cl\n4 12\ndirect\n0.514116 0.577716 0.249383 Bi\n0.485884 0.422284 0.749382 Bi\n-0.014116 0.077716 0.249383 Bi\n0.014116 0.922284 0.749382 Bi\n0.645444 0.323468 0.061626 Cl\n0.354556 0.676532 0.561626 Cl\n0.854556 0.823467 0.061626 Cl\n0.145444 0.176532 0.561626 Cl\n0.632529 0.042164 0.749770 Cl\n0.367471 0.957836 0.249770 Cl\n0.867471 0.542164 0.749770 Cl\n0.132529 0.457836 0.249770 Cl\n0.145401 0.176201 0.937821 Cl\n0.854599 0.823799 0.437821 Cl\n0.354599 0.676200 0.937821 Cl\n0.645401 0.323799 0.437821 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl",
"density": 5.0082340296268155,
"density_atomic": 0.03825756032497994,
"volume": 418.2179904857378,
"volume_molar": 15.741047544184088,
"formula_full": "Bi4 Cl12",
"formula_reduced": "BiCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.052866625625,
"spacegroup": 62
},
{
"id": "jvasp-8589",
"created_at": "2022-09-04T14:37:04.155414Z",
"updated_at": "2022-09-04T14:37:04.155434Z",
"structure_string": "Bi1 F3\n1.0\n3.514077 0.000000 2.028853\n1.171359 3.313103 2.028853\n0.000000 0.000000 4.057707\nBi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750001 0.749999 0.749999 F\n0.500001 0.499999 0.499999 F\n0.250000 0.250000 0.250000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 9.348975357052689,
"density_atomic": 0.08467068941557404,
"volume": 47.24184989645607,
"volume_molar": 7.112426745981246,
"formula_full": "Bi1 F3",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0528724999999999,
"spacegroup": 225
},
{
"id": "jvasp-34703",
"created_at": "2022-09-04T14:38:08.835692Z",
"updated_at": "2022-09-04T14:38:08.835718Z",
"structure_string": "Bi4 F12\n1.0\n5.740167 0.000000 -0.000000\n0.000000 5.740167 -0.000000\n-0.000000 -0.000000 5.740167\nBi F\n4 12\ndirect\n0.250018 0.749983 0.250018 Bi\n0.250018 0.250018 0.749983 Bi\n0.749983 0.749983 0.749983 Bi\n0.749983 0.250018 0.250018 Bi\n0.749953 0.250047 0.749953 F\n0.000000 0.000000 0.500000 F\n0.250047 0.250047 0.250047 F\n0.250047 0.749953 0.749953 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.749953 0.749953 0.250047 F\n0.000000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 9.340654727402628,
"density_atomic": 0.08459533212539667,
"volume": 189.1357312278532,
"volume_molar": 7.1187624762478725,
"formula_full": "Bi4 F12",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.05291,
"spacegroup": 225
},
{
"id": "jvasp-79807",
"created_at": "2022-09-04T14:37:05.060851Z",
"updated_at": "2022-09-04T14:37:05.060878Z",
"structure_string": "Yb1 Tl1 Se2\n1.0\n-2.121085 -3.673828 0.000000\n2.121085 -3.673828 0.000000\n-0.000000 -2.449218 7.015943\nYb Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n0.257351 0.257351 0.227947 Se\n0.742650 0.742650 0.772053 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Se"
],
"chemical_system": "Se-Tl-Yb",
"density": 8.129962249204121,
"density_atomic": 0.03658196679036638,
"volume": 109.34349218898132,
"volume_molar": 16.46204752880015,
"formula_full": "Yb1 Tl1 Se2",
"formula_reduced": "YbTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0530050083333333,
"spacegroup": 166
},
{
"id": "jvasp-50640",
"created_at": "2022-09-04T14:36:50.927305Z",
"updated_at": "2022-09-04T14:36:50.927342Z",
"structure_string": "Li4 Cu2 F8\n1.0\n5.603791 -0.027071 -0.000000\n-1.401120 5.425870 0.000000\n-2.101335 -2.699400 4.438562\nLi Cu F\n4 2 8\ndirect\n-0.000001 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.125000 0.875000 0.250000 Cu\n0.874999 0.125000 0.750000 Cu\n0.213989 0.670016 0.956025 F\n0.329983 0.786010 0.543974 F\n0.213989 0.257963 0.543974 F\n0.742036 0.786010 0.956025 F\n0.257963 0.213990 0.043974 F\n0.786009 0.742037 0.456026 F\n0.670015 0.213990 0.456026 F\n0.786010 0.329984 0.043974 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.780194431342644,
"density_atomic": 0.10386674856742496,
"volume": 134.78808370430426,
"volume_molar": 5.797948663128446,
"formula_full": "Li4 Cu2 F8",
"formula_reduced": "Li2CuF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.053015754642857,
"spacegroup": 141
},
{
"id": "jvasp-115584",
"created_at": "2022-09-04T14:38:26.037449Z",
"updated_at": "2022-09-04T14:38:26.037480Z",
"structure_string": "Ba1 Zn1 F1\n1.0\n-0.000000 3.543776 3.543776\n3.543776 0.000000 3.543776\n3.543776 3.543776 0.000000\nBa Zn F\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500001 0.500001 0.500001 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"F"
],
"chemical_system": "Ba-F-Zn",
"density": 4.1366939899801025,
"density_atomic": 0.03370485563511578,
"volume": 89.00794688093596,
"volume_molar": 17.86727949585331,
"formula_full": "Ba1 Zn1 F1",
"formula_reduced": "BaZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0530933333333333,
"spacegroup": 216
},
{
"id": "jvasp-68986",
"created_at": "2022-09-04T14:36:19.244469Z",
"updated_at": "2022-09-04T14:36:19.244487Z",
"structure_string": "K1 Ba2 Pd1\n1.0\n-0.000000 4.194104 4.194104\n4.194104 -0.000000 4.194104\n4.194104 4.194104 0.000000\nK Ba Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Pd"
],
"chemical_system": "Ba-K-Pd",
"density": 4.728560323169487,
"density_atomic": 0.027108932091066885,
"volume": 147.5528429730401,
"volume_molar": 22.21459974804561,
"formula_full": "K1 Ba2 Pd1",
"formula_reduced": "KBa2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.05310891,
"spacegroup": 225
},
{
"id": "jvasp-39724",
"created_at": "2022-09-04T14:37:44.345147Z",
"updated_at": "2022-09-04T14:37:44.345175Z",
"structure_string": "Yb1 Hg1 Pd2\n1.0\n0.000000 3.338430 3.338430\n3.338430 -0.000000 3.338430\n3.338430 3.338430 -0.000000\nYb Hg Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Yb",
"density": 13.08693905447919,
"density_atomic": 0.053753057534639805,
"volume": 74.4143716368562,
"volume_molar": 11.203345514102491,
"formula_full": "Yb1 Hg1 Pd2",
"formula_reduced": "YbHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.053149175,
"spacegroup": 225
},
{
"id": "jvasp-110518",
"created_at": "2022-09-04T14:38:38.619928Z",
"updated_at": "2022-09-04T14:38:38.619947Z",
"structure_string": "Yb2 Ag2 Sn2\n1.0\n4.637339 -0.000000 0.000000\n-2.318669 4.016054 -0.000000\n0.000000 -0.000000 8.359047\nYb Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.290366 Yb\n0.000000 0.000000 0.709635 Yb\n0.666667 0.333333 0.472679 Ag\n0.333333 0.666666 0.527321 Ag\n0.333333 0.666666 0.922030 Sn\n0.666667 0.333333 0.077971 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sn-Yb",
"density": 8.525094397793882,
"density_atomic": 0.03854127650358065,
"volume": 155.67725161989833,
"volume_molar": 15.62517203974943,
"formula_full": "Yb2 Ag2 Sn2",
"formula_reduced": "YbAgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0532033333333333,
"spacegroup": 164
},
{
"id": "jvasp-107471",
"created_at": "2022-09-04T14:36:56.532182Z",
"updated_at": "2022-09-04T14:36:56.532196Z",
"structure_string": "Pm1 I1\n1.0\n3.898691 -0.000000 0.000000\n-1.949345 3.376366 0.000000\n-0.000000 -0.000000 4.745225\nPm I\n1 1\ndirect\n0.333335 0.666668 -0.000000 Pm\n0.666667 0.333334 0.500001 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"I"
],
"chemical_system": "I-Pm",
"density": 7.228368774640067,
"density_atomic": 0.03201878530434923,
"volume": 62.46333147835976,
"volume_molar": 18.80814872506107,
"formula_full": "Pm1 I1",
"formula_reduced": "PmI",
"formula_anonymous": "AB",
"energy_above_hull": 0.053253725,
"spacegroup": 187
},
{
"id": "jvasp-49814",
"created_at": "2022-09-04T14:37:05.523750Z",
"updated_at": "2022-09-04T14:37:05.523777Z",
"structure_string": "Li2 Ag1 F3\n1.0\n1.464419 -2.536449 -0.000000\n1.464419 2.536449 0.000000\n0.000000 0.000000 8.172216\nLi Ag F\n2 1 3\ndirect\n0.333333 0.666667 0.140909 Li\n0.666667 0.333333 0.859091 Li\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.724596 F\n0.666667 0.333333 0.275405 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.889029669567004,
"density_atomic": 0.09883025782651526,
"volume": 60.710152254507776,
"volume_molar": 6.093418040627954,
"formula_full": "Li2 Ag1 F3",
"formula_reduced": "Li2AgF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0534050000000002,
"spacegroup": 164
},
{
"id": "jvasp-68919",
"created_at": "2022-09-04T14:36:03.293432Z",
"updated_at": "2022-09-04T14:36:03.293465Z",
"structure_string": "Mg2 Be1 Br1\n1.0\n-1.965548 1.965548 5.612853\n1.965548 -1.965548 5.612853\n1.965548 1.965548 -5.612853\nMg Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Br"
],
"chemical_system": "Be-Br-Mg",
"density": 2.632834232457188,
"density_atomic": 0.04611572318959018,
"volume": 86.73831230088852,
"volume_molar": 13.058758149019756,
"formula_full": "Mg2 Be1 Br1",
"formula_reduced": "Mg2BeBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0535145762499999,
"spacegroup": 119
}
]
}