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=id&page=631",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=629",
"results": [
{
"id": "jvasp-110716",
"created_at": "2022-09-04T14:38:39.287778Z",
"updated_at": "2022-09-04T14:38:39.287795Z",
"structure_string": "Rb3 Bi1 F6\n1.0\n5.966427 -0.000000 3.444718\n1.988809 5.625201 3.444718\n-0.000000 -0.000000 6.889436\nRb Bi F\n3 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.768026 0.231974 0.231974 F\n0.231974 0.231974 0.768026 F\n0.231974 0.768026 0.768027 F\n0.231974 0.768026 0.231974 F\n0.768026 0.231974 0.768026 F\n0.768027 0.768026 0.231974 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-F-Rb",
"density": 4.160755701369745,
"density_atomic": 0.04324779336035768,
"volume": 231.22567009780252,
"volume_molar": 13.924735326542898,
"formula_full": "Rb3 Bi1 F6",
"formula_reduced": "Rb3BiF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110718",
"created_at": "2022-09-04T14:38:48.481966Z",
"updated_at": "2022-09-04T14:38:48.481988Z",
"structure_string": "Rb2 In1 As1 I6\n1.0\n7.362709 0.000000 4.250862\n2.454236 6.941629 4.250862\n-0.000000 0.000000 8.501724\nRb In As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.759263 0.240737 0.240737 I\n0.240737 0.240737 0.759262 I\n0.240738 0.759263 0.759262 I\n0.240738 0.759263 0.240737 I\n0.759263 0.240737 0.759262 I\n0.759263 0.759263 0.240737 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"As",
"I"
],
"chemical_system": "As-I-In-Rb",
"density": 4.288203677691847,
"density_atomic": 0.023014098275604435,
"volume": 434.51626391116395,
"volume_molar": 26.167181037823376,
"formula_full": "Rb2 In1 As1 I6",
"formula_reduced": "Rb2InAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110719",
"created_at": "2022-09-04T14:38:37.648129Z",
"updated_at": "2022-09-04T14:38:37.648153Z",
"structure_string": "Rb2 Y1 In1 Br6\n1.0\n7.182883 -0.000000 4.147039\n2.394294 6.772087 4.147039\n-0.000000 -0.000000 8.294079\nRb Y In Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500000 In\n0.763483 0.236516 0.236516 Br\n0.236516 0.236516 0.763484 Br\n0.236515 0.763484 0.763484 Br\n0.236515 0.763484 0.236516 Br\n0.763483 0.236516 0.763484 Br\n0.763483 0.763484 0.236517 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"In",
"Br"
],
"chemical_system": "Br-In-Rb-Y",
"density": 3.5152799334585527,
"density_atomic": 0.024786232044897452,
"volume": 403.44978542467175,
"volume_molar": 24.2963139741917,
"formula_full": "Rb2 Y1 In1 Br6",
"formula_reduced": "Rb2YInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110720",
"created_at": "2022-09-04T14:38:37.643759Z",
"updated_at": "2022-09-04T14:38:37.643779Z",
"structure_string": "Rb2 Li1 Y1 Cl6\n1.0\n6.295958 -0.000000 3.634973\n2.098653 5.935886 3.634973\n-0.000000 -0.000000 7.269946\nRb Li Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.745676 0.254325 0.254324 Cl\n0.254324 0.254325 0.745676 Cl\n0.254324 0.745676 0.745675 Cl\n0.254324 0.745676 0.254324 Cl\n0.745676 0.254325 0.745675 Cl\n0.745675 0.745676 0.254324 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Y",
"density": 2.9306203278687075,
"density_atomic": 0.036806238940217235,
"volume": 271.6930685648855,
"volume_molar": 16.361739024140718,
"formula_full": "Rb2 Li1 Y1 Cl6",
"formula_reduced": "Rb2LiYCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0536229855,
"spacegroup": 225
},
{
"id": "jvasp-110721",
"created_at": "2022-09-04T14:38:39.440708Z",
"updated_at": "2022-09-04T14:38:39.440731Z",
"structure_string": "Rb2 In2 Br6\n1.0\n6.998293 -0.000000 4.040466\n2.332764 6.598054 4.040466\n-0.000000 -0.000000 8.080932\nRb In Br\n2 2 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 In\n0.761757 0.238242 0.238243 Br\n0.238242 0.238242 0.761758 Br\n0.238242 0.761757 0.761758 Br\n0.238242 0.761757 0.238243 Br\n0.761757 0.238242 0.761758 Br\n0.761757 0.761757 0.238244 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.9161575818276204,
"density_atomic": 0.02679973877625883,
"volume": 373.13796539161535,
"volume_molar": 22.47089350488316,
"formula_full": "Rb2 In2 Br6",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110722",
"created_at": "2022-09-04T14:38:37.811556Z",
"updated_at": "2022-09-04T14:38:37.811571Z",
"structure_string": "Rb2 Y1 Hg1 Cl6\n1.0\n6.719801 -0.000000 3.879679\n2.239934 6.335489 3.879679\n-0.000000 -0.000000 7.759358\nRb Y Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.761888 0.238112 0.238112 Cl\n0.238112 0.238112 0.761888 Cl\n0.238112 0.761888 0.761889 Cl\n0.238112 0.761888 0.238112 Cl\n0.761888 0.238112 0.761888 Cl\n0.761887 0.761888 0.238113 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-Rb-Y",
"density": 3.3837498516895947,
"density_atomic": 0.03027175898390151,
"volume": 330.3408964546127,
"volume_molar": 19.893593772342623,
"formula_full": "Rb2 Y1 Hg1 Cl6",
"formula_reduced": "Rb2YHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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-110725",
"created_at": "2022-09-04T14:38:48.225742Z",
"updated_at": "2022-09-04T14:38:48.225768Z",
"structure_string": "Cu1 I2\n1.0\n5.233325 -0.000000 0.000000\n0.000000 5.233325 0.000000\n0.000000 -0.000000 4.204480\nCu I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 I\n0.500000 0.000000 -0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 4.576428243962742,
"density_atomic": 0.026052748767081454,
"volume": 115.1509971873142,
"volume_molar": 23.115183790545675,
"formula_full": "Cu1 I2",
"formula_reduced": "CuI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0753366666666666,
"spacegroup": 123
},
{
"id": "jvasp-110727",
"created_at": "2022-09-04T14:38:36.551852Z",
"updated_at": "2022-09-04T14:38:36.551884Z",
"structure_string": "Li1 Cu3 O3\n1.0\n4.042082 -0.000000 0.000000\n0.000000 4.042082 0.000000\n-0.000000 0.000000 4.042082\nLi Cu O\n1 3 3\ndirect\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 6.174784168097728,
"density_atomic": 0.10599434151471779,
"volume": 66.04126125947977,
"volume_molar": 5.681568161036029,
"formula_full": "Li1 Cu3 O3",
"formula_reduced": "Li(CuO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.9451859785714288,
"spacegroup": 221
},
{
"id": "jvasp-110728",
"created_at": "2022-09-04T14:38:39.628589Z",
"updated_at": "2022-09-04T14:38:39.628615Z",
"structure_string": "Ti1 Cu1 O3\n1.0\n4.004897 -0.000000 0.000000\n0.000000 4.004897 0.000000\n0.000000 -0.000000 3.761512\nTi Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 4.3875570301842535,
"density_atomic": 0.08287524978617623,
"volume": 60.331643197460515,
"volume_molar": 7.2665129523440735,
"formula_full": "Ti1 Cu1 O3",
"formula_reduced": "TiCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8668918566666668,
"spacegroup": 123
},
{
"id": "jvasp-110729",
"created_at": "2022-09-04T14:38:37.650085Z",
"updated_at": "2022-09-04T14:38:37.650107Z",
"structure_string": "Th1 Cu1 N2\n1.0\n3.978245 0.000000 0.000000\n0.000000 3.978245 0.000000\n0.000000 0.000000 3.345476\nTh Cu N\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Th\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500001 -0.000000 N\n0.500001 0.000000 -0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cu",
"N"
],
"chemical_system": "Cu-N-Th",
"density": 10.148765825813008,
"density_atomic": 0.07554731284286892,
"volume": 52.946952703924914,
"volume_molar": 7.971350049902461,
"formula_full": "Th1 Cu1 N2",
"formula_reduced": "ThCuN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0841906375,
"spacegroup": 123
},
{
"id": "jvasp-11073",
"created_at": "2022-09-04T14:37:08.252989Z",
"updated_at": "2022-09-04T14:37:08.253014Z",
"structure_string": "Ho2 As2 O8\n1.0\n5.676084 0.014927 -1.695241\n-3.146684 4.724038 -1.695241\n-0.007967 -0.014927 5.923826\nHo As O\n2 2 8\ndirect\n0.125000 0.875000 0.250001 Ho\n0.874999 0.125000 0.750000 Ho\n0.375000 0.625000 0.750001 As\n0.625000 0.375000 0.250000 As\n0.802708 0.735500 0.432791 O\n0.369919 0.802709 0.567210 O\n0.735499 0.802709 0.932791 O\n0.802708 0.369919 0.067210 O\n0.630081 0.197292 0.432791 O\n0.197291 0.264501 0.567210 O\n0.197291 0.630081 0.932791 O\n0.264501 0.197292 0.067209 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"As",
"O"
],
"chemical_system": "As-Ho-O",
"density": 6.353261223513738,
"density_atomic": 0.07555101627859372,
"volume": 158.8330718907884,
"volume_molar": 7.97095930224606,
"formula_full": "Ho2 As2 O8",
"formula_reduced": "HoAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0476052194444447,
"spacegroup": 141
}
]
}