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=formula_anonymous&page=183",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=181",
"results": [
{
"id": "jvasp-87857",
"created_at": "2022-09-04T14:36:11.252994Z",
"updated_at": "2022-09-04T14:36:11.253005Z",
"structure_string": "Al8 Cd12 Si12 O48\n1.0\n9.747744 -0.000000 -3.446348\n-4.873872 8.441794 -3.446348\n0.000000 0.000000 10.339044\nAl Cd Si O\n8 12 12 48\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.499999 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 -0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.250000 0.375000 0.125000 Cd\n0.250000 0.875000 0.624999 Cd\n0.375000 0.750000 0.125000 Cd\n0.625000 0.250000 0.874999 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.125000 0.250000 Cd\n0.125000 0.375000 0.750000 Cd\n0.750000 0.125000 0.375000 Cd\n0.750000 0.625000 0.874999 Cd\n0.875000 0.625000 0.249999 Cd\n0.875000 0.750000 0.624999 Cd\n0.625000 0.875000 0.749999 Cd\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.750000 0.374999 Si\n0.375000 0.625000 0.749999 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.750000 0.375000 0.624999 Si\n0.125000 0.750000 0.874999 Si\n0.250000 0.625000 0.375000 Si\n0.188573 0.195058 0.582231 O\n0.304942 0.493515 0.387173 O\n0.006485 0.311427 0.893658 O\n0.112826 0.606341 0.917768 O\n0.195058 0.582232 0.188573 O\n0.195058 0.112826 0.006485 O\n0.582232 0.188573 0.195058 O\n0.606341 0.188573 0.493514 O\n0.695058 0.688573 0.082231 O\n0.917768 0.304942 0.311427 O\n0.811427 0.804942 0.417768 O\n0.106341 0.612826 0.417768 O\n0.688573 0.082232 0.695057 O\n0.082232 0.695058 0.688572 O\n0.993514 0.804942 0.887173 O\n0.811427 0.506485 0.393658 O\n0.417768 0.106341 0.612826 O\n0.393659 0.811427 0.506485 O\n0.887173 0.993514 0.804941 O\n0.612826 0.417768 0.106341 O\n0.106341 0.993514 0.688572 O\n0.393659 0.082232 0.887173 O\n0.082232 0.887173 0.393658 O\n0.506485 0.612826 0.695057 O\n0.612826 0.695058 0.506484 O\n0.688573 0.106341 0.993514 O\n0.506485 0.393659 0.811427 O\n0.311427 0.917768 0.304942 O\n0.417768 0.811427 0.804941 O\n0.804942 0.417768 0.811426 O\n0.006485 0.195058 0.112826 O\n0.188573 0.493515 0.606341 O\n0.582232 0.893659 0.387173 O\n0.112826 0.006485 0.195058 O\n0.493515 0.606341 0.188572 O\n0.387174 0.582232 0.893658 O\n0.893659 0.006485 0.311427 O\n0.804942 0.887173 0.993514 O\n0.606341 0.917768 0.112826 O\n0.493515 0.387174 0.304942 O\n0.387174 0.304942 0.493514 O\n0.311427 0.893659 0.006485 O\n0.304942 0.311427 0.917768 O\n0.695058 0.506485 0.612826 O\n0.993514 0.688573 0.106341 O\n0.887173 0.393659 0.082231 O\n0.917768 0.112826 0.606341 O\n0.893659 0.387174 0.582231 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Si",
"density": 5.21081397878823,
"density_atomic": 0.09403093148064348,
"volume": 850.7838722885374,
"volume_molar": 6.4044252940742945,
"formula_full": "Al8 Cd12 Si12 O48",
"formula_reduced": "Al2Cd3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.1486006325,
"spacegroup": 230
},
{
"id": "jvasp-87161",
"created_at": "2022-09-04T14:35:54.061830Z",
"updated_at": "2022-09-04T14:35:54.061862Z",
"structure_string": "Y12 Sc8 Al12 O48\n1.0\n10.124282 -0.000000 -3.579474\n-5.062141 8.767885 -3.579474\n0.000000 0.000000 10.738422\nY Sc Al O\n12 8 12 48\ndirect\n0.875000 0.625000 0.250000 Y\n0.250000 0.375000 0.125000 Y\n0.750000 0.125000 0.375000 Y\n0.125000 0.375000 0.750000 Y\n0.375000 0.125000 0.250000 Y\n0.125000 0.250000 0.375000 Y\n0.625000 0.250000 0.875000 Y\n0.625000 0.875000 0.750000 Y\n0.250000 0.875000 0.625000 Y\n0.750000 0.625000 0.875000 Y\n0.875000 0.750000 0.625000 Y\n0.375000 0.750000 0.125000 Y\n-0.000000 0.500000 0.000000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 -0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.875000 0.125000 0.750000 Al\n0.125000 0.875000 0.250000 Al\n0.250000 0.625000 0.375000 Al\n0.125000 0.750000 0.875000 Al\n0.750000 0.875000 0.125000 Al\n0.875000 0.250000 0.125000 Al\n0.625000 0.750000 0.375000 Al\n0.250000 0.125000 0.875000 Al\n0.625000 0.375000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.375000 0.250000 0.625000 Al\n0.750000 0.375000 0.625000 Al\n0.525985 0.400554 0.812068 O\n0.474015 0.374569 0.286082 O\n0.687932 0.088486 0.713918 O\n0.088486 0.713917 0.687932 O\n0.974015 0.786082 0.874569 O\n0.812068 0.525985 0.400554 O\n0.411514 0.099446 0.625431 O\n0.874569 0.974015 0.786083 O\n0.286082 0.474015 0.374569 O\n0.400554 0.088486 0.874569 O\n0.374569 0.588485 0.900554 O\n0.474015 0.599446 0.187932 O\n0.125431 0.025985 0.213918 O\n0.588485 0.900553 0.374569 O\n0.187932 0.474015 0.599446 O\n0.025985 0.213918 0.125431 O\n0.911514 0.286082 0.312068 O\n0.900554 0.025985 0.312068 O\n0.312068 0.911514 0.286082 O\n0.187932 0.213918 0.588486 O\n0.599446 0.187932 0.474015 O\n0.588486 0.187932 0.213918 O\n0.213918 0.125431 0.025985 O\n0.213918 0.588485 0.187932 O\n0.125431 0.599446 0.911514 O\n0.025985 0.312068 0.900554 O\n0.900554 0.374569 0.588486 O\n0.099446 0.974015 0.687932 O\n0.599446 0.911514 0.125431 O\n0.911514 0.125431 0.599446 O\n0.088486 0.874569 0.400554 O\n0.525985 0.625431 0.713918 O\n0.625431 0.713917 0.525985 O\n0.687932 0.099446 0.974015 O\n0.713918 0.687932 0.088486 O\n0.812068 0.786082 0.411515 O\n0.400554 0.812068 0.525985 O\n0.099446 0.625431 0.411514 O\n0.411514 0.812068 0.786082 O\n0.786082 0.411514 0.812068 O\n0.874569 0.400554 0.088486 O\n0.974015 0.687932 0.099447 O\n0.713918 0.525985 0.625431 O\n0.286082 0.312068 0.911514 O\n0.312068 0.900553 0.025985 O\n0.374569 0.286082 0.474015 O\n0.786082 0.874569 0.974015 O\n0.625431 0.411514 0.099446 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Y",
"Sc",
"Al",
"O"
],
"chemical_system": "Al-O-Sc-Y",
"density": 4.386835547913751,
"density_atomic": 0.08392482449091816,
"volume": 953.2340458889743,
"volume_molar": 7.175637001959628,
"formula_full": "Y12 Sc8 Al12 O48",
"formula_reduced": "Y3Sc2Al3O12",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.8454633625,
"spacegroup": 230
},
{
"id": "jvasp-60156",
"created_at": "2022-09-04T14:38:18.065431Z",
"updated_at": "2022-09-04T14:38:18.065448Z",
"structure_string": "Zn12 Ge12 Sb8 O48\n1.0\n10.308412 0.000000 -3.644574\n-5.154206 8.927346 -3.644574\n-0.000000 -0.000000 10.933721\nZn Ge Sb O\n12 12 8 48\ndirect\n0.625000 0.250000 0.875000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.750000 0.125000 0.375000 Zn\n0.125000 0.250000 0.375000 Zn\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.875000 0.625000 0.250000 Zn\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.625000 0.750000 0.375000 Ge\n0.125000 0.875000 0.250000 Ge\n0.750000 0.875000 0.125001 Ge\n0.125000 0.750000 0.875000 Ge\n0.250000 0.625000 0.375000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.250000 0.625000 Ge\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.907390 0.133813 0.601543 O\n0.305847 0.898457 0.032271 O\n0.273578 0.467729 0.366187 O\n0.273578 0.305848 0.907391 O\n0.467729 0.366187 0.273578 O\n0.898457 0.366187 0.592610 O\n0.366187 0.273578 0.467729 O\n0.226422 0.133813 0.032271 O\n0.133813 0.601543 0.907391 O\n0.194152 0.226422 0.592609 O\n0.032271 0.305848 0.898457 O\n0.226422 0.592610 0.194153 O\n0.898457 0.032271 0.305848 O\n0.601543 0.907391 0.133813 O\n0.194152 0.467729 0.601543 O\n0.592609 0.898457 0.366188 O\n0.305847 0.907391 0.273578 O\n0.467729 0.601543 0.194153 O\n0.366187 0.592610 0.898457 O\n0.907390 0.273578 0.305848 O\n0.032271 0.226422 0.133813 O\n0.592609 0.194153 0.226422 O\n0.773578 0.866188 0.967730 O\n0.633813 0.726422 0.532271 O\n0.805847 0.773578 0.407391 O\n0.773578 0.407391 0.805848 O\n0.092609 0.866188 0.398457 O\n0.694152 0.101543 0.967729 O\n0.726422 0.532271 0.633813 O\n0.726422 0.694153 0.092610 O\n0.532271 0.633813 0.726422 O\n0.101543 0.633813 0.407391 O\n0.133813 0.032271 0.226422 O\n0.398457 0.805848 0.532271 O\n0.866187 0.967730 0.773578 O\n0.967729 0.773578 0.866188 O\n0.092609 0.726422 0.694153 O\n0.633813 0.407391 0.101543 O\n0.532271 0.398457 0.805848 O\n0.694152 0.092609 0.726422 O\n0.407391 0.101543 0.633813 O\n0.805847 0.532271 0.398457 O\n0.398457 0.092609 0.866187 O\n0.101543 0.967730 0.694153 O\n0.601543 0.194153 0.467729 O\n0.967729 0.694153 0.101544 O\n0.866187 0.398457 0.092610 O\n0.407390 0.805848 0.773578 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Ge",
"Sb",
"O"
],
"chemical_system": "Ge-O-Sb-Zn",
"density": 5.608826901137828,
"density_atomic": 0.07950745724064916,
"volume": 1006.1949253119747,
"volume_molar": 7.574309340282999,
"formula_full": "Zn12 Ge12 Sb8 O48",
"formula_reduced": "Zn3Ge3(SbO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 1.8148786625,
"spacegroup": 230
},
{
"id": "jvasp-87858",
"created_at": "2022-09-04T14:36:18.738449Z",
"updated_at": "2022-09-04T14:36:18.738478Z",
"structure_string": "Sr12 Al8 Si12 O48\n1.0\n9.995232 0.000000 -3.533848\n-4.997617 8.656125 -3.533848\n0.000000 0.000000 10.601545\nSr Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Sr\n0.249999 0.875000 0.624999 Sr\n0.874999 0.625000 0.249999 Sr\n0.624999 0.875000 0.749999 Sr\n0.874999 0.750000 0.624999 Sr\n0.625000 0.250000 0.874999 Sr\n0.374999 0.750000 0.124999 Sr\n0.750000 0.125000 0.375000 Sr\n0.125000 0.375000 0.749999 Sr\n0.375000 0.125000 0.250000 Sr\n0.125000 0.250000 0.375000 Sr\n0.749999 0.625000 0.874999 Sr\n-0.000000 0.500000 0.499999 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.499999 Al\n0.500000 -0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.624999 0.750000 0.374999 Si\n0.250000 0.125000 0.874999 Si\n0.749999 0.875000 0.124999 Si\n0.375000 0.250000 0.624999 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.750000 0.375000 0.624999 Si\n0.124999 0.875000 0.249999 Si\n0.375000 0.625000 0.749999 Si\n0.125000 0.750000 0.874999 Si\n0.250000 0.625000 0.374999 Si\n0.191614 0.191263 0.583197 O\n0.308736 0.500351 0.391934 O\n0.999648 0.308386 0.891583 O\n0.108065 0.608416 0.916802 O\n0.191263 0.583197 0.191614 O\n0.191263 0.108065 0.999648 O\n0.583197 0.191614 0.191263 O\n0.608416 0.191614 0.500351 O\n0.691263 0.691614 0.083197 O\n0.916802 0.308737 0.308385 O\n0.808385 0.808736 0.416801 O\n0.108416 0.608065 0.416802 O\n0.691614 0.083198 0.691263 O\n0.083197 0.691263 0.691614 O\n0.000351 0.808736 0.891934 O\n0.808385 0.499649 0.391583 O\n0.416802 0.108417 0.608065 O\n0.391583 0.808385 0.499648 O\n0.891934 0.000351 0.808736 O\n0.608065 0.416802 0.108416 O\n0.108417 0.000351 0.691614 O\n0.391583 0.083198 0.891934 O\n0.083197 0.891934 0.391583 O\n0.499648 0.608065 0.691262 O\n0.608065 0.691263 0.499648 O\n0.691614 0.108417 0.000351 O\n0.499649 0.391583 0.808385 O\n0.308385 0.916802 0.308736 O\n0.416802 0.808385 0.808736 O\n0.808736 0.416802 0.808385 O\n0.999649 0.191263 0.108065 O\n0.191614 0.500351 0.608416 O\n0.583197 0.891583 0.391934 O\n0.108065 0.999648 0.191263 O\n0.500351 0.608416 0.191614 O\n0.391934 0.583197 0.891583 O\n0.891583 0.999648 0.308385 O\n0.808736 0.891934 0.000350 O\n0.608416 0.916802 0.108065 O\n0.500351 0.391934 0.308736 O\n0.391934 0.308737 0.500351 O\n0.308385 0.891583 0.999648 O\n0.308737 0.308386 0.916802 O\n0.691263 0.499649 0.608065 O\n0.000351 0.691614 0.108416 O\n0.891934 0.391583 0.083197 O\n0.916802 0.108065 0.608416 O\n0.891583 0.391934 0.583197 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Sr",
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si-Sr",
"density": 4.294684118930043,
"density_atomic": 0.08721765938577612,
"volume": 917.2454358829857,
"volume_molar": 6.904726407943619,
"formula_full": "Sr12 Al8 Si12 O48",
"formula_reduced": "Sr3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.3703661165,
"spacegroup": 230
},
{
"id": "jvasp-21043",
"created_at": "2022-09-04T14:38:14.888837Z",
"updated_at": "2022-09-04T14:38:14.888861Z",
"structure_string": "Ca12 Ge12 Mo8 O48\n1.0\n10.296961 -0.000000 -3.640525\n-5.148479 8.917429 -3.640525\n0.000000 0.000000 10.921576\nCa Ge Mo O\n12 12 8 48\ndirect\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.875000 0.625000 0.249999 Ca\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.625000 0.750000 0.375000 Ge\n0.125000 0.875000 0.250000 Ge\n0.750000 0.875000 0.124999 Ge\n0.125000 0.750000 0.875000 Ge\n0.250000 0.625000 0.375000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.250000 0.625000 Ge\n-0.000000 -0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 -0.000000 Mo\n0.500000 0.000000 -0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.911417 0.121086 0.600314 O\n0.311103 0.899686 0.020773 O\n0.290331 0.479227 0.378914 O\n0.290331 0.311103 0.911417 O\n0.479227 0.378914 0.290331 O\n0.899686 0.378914 0.588582 O\n0.378914 0.290331 0.479227 O\n0.209669 0.121086 0.020773 O\n0.121086 0.600314 0.911417 O\n0.188897 0.209669 0.588583 O\n0.020773 0.311103 0.899686 O\n0.209669 0.588583 0.188896 O\n0.899686 0.020773 0.311103 O\n0.600314 0.911417 0.121086 O\n0.188897 0.479227 0.600314 O\n0.588583 0.899686 0.378913 O\n0.311103 0.911417 0.290331 O\n0.479227 0.600314 0.188896 O\n0.378914 0.588583 0.899686 O\n0.911417 0.290331 0.311103 O\n0.020773 0.209669 0.121086 O\n0.588583 0.188897 0.209669 O\n0.790331 0.878914 0.979226 O\n0.621086 0.709669 0.520773 O\n0.811103 0.790331 0.411417 O\n0.790331 0.411417 0.811103 O\n0.088583 0.878914 0.399686 O\n0.688897 0.100314 0.979227 O\n0.709669 0.520773 0.621086 O\n0.709669 0.688897 0.088582 O\n0.520773 0.621086 0.709669 O\n0.100314 0.621086 0.411417 O\n0.121086 0.020773 0.209669 O\n0.399686 0.811103 0.520773 O\n0.878914 0.979227 0.790331 O\n0.979227 0.790331 0.878913 O\n0.088583 0.709669 0.688897 O\n0.621086 0.411417 0.100314 O\n0.520773 0.399686 0.811103 O\n0.688897 0.088583 0.709669 O\n0.411417 0.100314 0.621086 O\n0.811103 0.520773 0.399686 O\n0.399686 0.088583 0.878914 O\n0.100314 0.979227 0.688897 O\n0.600314 0.188897 0.479227 O\n0.979227 0.688897 0.100313 O\n0.878914 0.399686 0.088582 O\n0.411417 0.811103 0.790331 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Ge",
"Mo",
"O"
],
"chemical_system": "Ca-Ge-Mo-O",
"density": 4.782206951354795,
"density_atomic": 0.0797730040338154,
"volume": 1002.8455236070635,
"volume_molar": 7.549096129622049,
"formula_full": "Ca12 Ge12 Mo8 O48",
"formula_reduced": "Ca3Ge3(MoO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.5402711455,
"spacegroup": 230
},
{
"id": "jvasp-96999",
"created_at": "2022-09-04T14:36:04.253595Z",
"updated_at": "2022-09-04T14:36:04.253628Z",
"structure_string": "Ho4 Sn6 Pb6 S24\n1.0\n3.926752 0.000000 0.000000\n0.000000 11.606761 0.000000\n0.000000 0.000000 20.335538\nHo Sn Pb S\n4 6 6 24\ndirect\n0.000000 0.866919 0.106694 Ho\n0.000000 0.366919 0.893306 Ho\n0.000000 0.551467 0.411869 Ho\n0.000000 0.051467 0.588131 Ho\n0.500000 0.674899 0.909842 Sn\n0.500000 0.692437 0.249463 Sn\n0.500000 0.203354 0.428684 Sn\n0.500000 0.192438 0.750537 Sn\n0.500000 0.703354 0.571316 Sn\n0.500000 0.174899 0.090158 Sn\n0.000000 0.424488 0.620919 Pb\n0.000000 0.924488 0.379081 Pb\n0.000000 0.787388 0.738126 Pb\n0.000000 0.989386 0.916036 Pb\n0.000000 0.287388 0.261874 Pb\n0.000000 0.489386 0.083965 Pb\n0.500000 0.978480 0.032817 S\n0.000000 0.255443 0.497559 S\n0.000000 0.345903 0.757158 S\n0.500000 0.357573 0.159587 S\n0.000000 0.547341 0.262587 S\n0.000000 0.091064 0.160793 S\n0.500000 0.597290 0.676607 S\n0.500000 0.511147 0.508968 S\n0.000000 0.845903 0.242842 S\n0.500000 0.011147 0.491032 S\n0.500000 0.714222 0.373978 S\n0.500000 0.214222 0.626022 S\n0.000000 0.755443 0.502441 S\n0.000000 0.756944 0.982466 S\n0.500000 0.857573 0.840413 S\n0.000000 0.256944 0.017534 S\n0.500000 0.700759 0.123697 S\n0.000000 0.591064 0.839207 S\n0.500000 0.478480 0.967184 S\n0.500000 0.392697 0.363059 S\n0.500000 0.097290 0.323393 S\n0.500000 0.892697 0.636941 S\n0.500000 0.200759 0.876303 S\n0.000000 0.047341 0.737413 S\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ho",
"Sn",
"Pb",
"S"
],
"chemical_system": "Ho-Pb-S-Sn",
"density": 6.064212251365692,
"density_atomic": 0.043157850798996464,
"volume": 926.8302118726011,
"volume_molar": 13.953754991293566,
"formula_full": "Ho4 Sn6 Pb6 S24",
"formula_reduced": "Ho2Sn3(PbS4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 1.692429434666667,
"spacegroup": 26
},
{
"id": "jvasp-60094",
"created_at": "2022-09-04T14:38:36.647225Z",
"updated_at": "2022-09-04T14:38:36.647236Z",
"structure_string": "Ca12 Si12 Bi8 O48\n1.0\n10.441373 -0.000000 -3.691584\n-5.220687 9.042495 -3.691584\n0.000000 0.000000 11.074749\nCa Si Bi O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.750001 Ca\n0.875000 0.625000 0.250001 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875001 Ca\n0.250000 0.875000 0.625001 Ca\n0.875000 0.750000 0.625001 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375001 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125001 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n-0.000000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.982606 0.710771 0.109392 O\n0.873215 0.390609 0.101380 O\n0.771836 0.398621 0.789229 O\n0.771836 0.873216 0.982607 O\n0.398620 0.789229 0.771837 O\n0.390608 0.789229 0.517394 O\n0.789229 0.771837 0.398621 O\n0.728163 0.710771 0.101380 O\n0.710771 0.109392 0.982607 O\n0.626785 0.728164 0.517394 O\n0.101380 0.873216 0.390609 O\n0.728163 0.517394 0.626785 O\n0.390608 0.101380 0.873215 O\n0.109391 0.982607 0.710772 O\n0.626785 0.398621 0.109392 O\n0.517393 0.390609 0.789229 O\n0.873215 0.982607 0.771837 O\n0.398620 0.109392 0.626785 O\n0.789229 0.517394 0.390609 O\n0.982606 0.771837 0.873216 O\n0.101380 0.728164 0.710772 O\n0.517393 0.626785 0.728164 O\n0.271836 0.289229 0.898621 O\n0.210771 0.228164 0.601380 O\n0.373215 0.271837 0.482607 O\n0.271836 0.482607 0.373216 O\n0.017393 0.289229 0.890609 O\n0.126785 0.609392 0.898621 O\n0.228163 0.601380 0.210771 O\n0.228163 0.126785 0.017393 O\n0.601379 0.210771 0.228164 O\n0.609391 0.210771 0.482607 O\n0.710771 0.101380 0.728164 O\n0.890608 0.373215 0.601380 O\n0.289229 0.898621 0.271837 O\n0.898620 0.271837 0.289229 O\n0.017393 0.228164 0.126785 O\n0.210771 0.482607 0.609392 O\n0.601379 0.890609 0.373216 O\n0.126785 0.017393 0.228164 O\n0.482606 0.609392 0.210772 O\n0.373215 0.601380 0.890609 O\n0.890608 0.017393 0.289229 O\n0.609391 0.898621 0.126785 O\n0.109391 0.626785 0.398621 O\n0.898620 0.126785 0.609392 O\n0.289229 0.890609 0.017394 O\n0.482606 0.373215 0.271837 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Si",
"density": 5.173573107842063,
"density_atomic": 0.07650859156163672,
"volume": 1045.6342009060581,
"volume_molar": 7.8711954266580015,
"formula_full": "Ca12 Si12 Bi8 O48",
"formula_reduced": "Ca3Si3(BiO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.318404883,
"spacegroup": 230
},
{
"id": "jvasp-60090",
"created_at": "2022-09-04T14:38:36.628018Z",
"updated_at": "2022-09-04T14:38:36.628029Z",
"structure_string": "Zn12 Si12 Sb8 O48\n1.0\n10.074197 -0.000000 -3.561767\n-5.037098 8.724511 -3.561767\n0.000000 0.000000 10.685299\nZn Si Sb O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.250000 0.875000 0.625000 Zn\n0.875000 0.750000 0.625000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.250000 0.375000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.124999 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.500000 Sb\n-0.000000 -0.000000 0.500000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.975667 0.705175 0.105999 O\n0.869667 0.394000 0.099175 O\n0.770493 0.400825 0.794825 O\n0.770493 0.869667 0.975666 O\n0.400825 0.794825 0.770493 O\n0.394000 0.794825 0.524333 O\n0.794825 0.770493 0.400825 O\n0.729507 0.705175 0.099175 O\n0.705175 0.106000 0.975667 O\n0.630333 0.729507 0.524333 O\n0.099175 0.869667 0.394000 O\n0.729507 0.524333 0.630333 O\n0.394000 0.099175 0.869667 O\n0.106000 0.975667 0.705175 O\n0.630333 0.400825 0.106000 O\n0.524333 0.394000 0.794825 O\n0.869667 0.975667 0.770492 O\n0.400825 0.106000 0.630333 O\n0.794825 0.524333 0.394000 O\n0.975667 0.770493 0.869666 O\n0.099175 0.729507 0.705175 O\n0.524333 0.630333 0.729507 O\n0.270493 0.294825 0.900825 O\n0.205175 0.229507 0.599175 O\n0.369667 0.270493 0.475667 O\n0.270493 0.475667 0.369667 O\n0.024333 0.294825 0.894000 O\n0.130333 0.606000 0.900825 O\n0.229507 0.599175 0.205175 O\n0.229507 0.130333 0.024333 O\n0.599175 0.205175 0.229507 O\n0.606000 0.205175 0.475667 O\n0.705175 0.099175 0.729507 O\n0.894000 0.369667 0.599175 O\n0.294825 0.900825 0.270493 O\n0.900825 0.270493 0.294825 O\n0.024333 0.229507 0.130333 O\n0.205175 0.475667 0.606000 O\n0.599175 0.894000 0.369666 O\n0.130333 0.024333 0.229507 O\n0.475667 0.606000 0.205175 O\n0.369667 0.599175 0.894000 O\n0.894000 0.024333 0.294825 O\n0.606000 0.900825 0.130333 O\n0.106000 0.630333 0.400825 O\n0.900825 0.130333 0.606000 O\n0.294825 0.894000 0.024333 O\n0.475667 0.369667 0.270493 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si-Zn",
"density": 5.06385957503001,
"density_atomic": 0.08518277304014844,
"volume": 939.1570284087172,
"volume_molar": 7.069669776025767,
"formula_full": "Zn12 Si12 Sb8 O48",
"formula_reduced": "Zn3Si3(SbO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.23272106,
"spacegroup": 230
},
{
"id": "jvasp-98195",
"created_at": "2022-09-04T14:36:12.100753Z",
"updated_at": "2022-09-04T14:36:12.100780Z",
"structure_string": "Li12 In8 P12 O48\n1.0\n8.594864 0.000000 0.008211\n0.000000 8.951855 0.000000\n0.011775 0.000000 12.276505\nLi In P O\n12 8 12 48\ndirect\n0.825444 0.214258 0.179316 Li\n0.415571 0.583395 0.183460 Li\n0.084429 0.083394 0.316540 Li\n0.915570 0.916606 0.683460 Li\n0.065720 0.508666 0.652303 Li\n0.434279 0.008666 0.847696 Li\n0.584428 0.416606 0.816540 Li\n0.565720 0.991334 0.152304 Li\n0.325444 0.285742 0.679316 Li\n0.174555 0.785743 0.820684 Li\n0.674555 0.714258 0.320684 Li\n0.934279 0.491334 0.347696 Li\n0.740924 0.035337 0.397507 In\n0.736177 0.469711 0.601695 In\n0.763821 0.969711 0.898304 In\n0.240923 0.464663 0.897506 In\n0.259075 0.964664 0.602493 In\n0.759075 0.535337 0.102493 In\n0.236178 0.030289 0.101695 In\n0.263822 0.530290 0.398304 In\n0.609532 0.122873 0.657463 P\n0.454071 0.753179 0.990887 P\n0.045927 0.253179 0.509113 P\n0.890466 0.622874 0.842536 P\n0.390467 0.877127 0.342537 P\n0.109533 0.377127 0.157463 P\n0.884688 0.887778 0.154639 P\n0.954071 0.746821 0.490887 P\n0.615311 0.387778 0.345360 P\n0.384688 0.612222 0.654639 P\n0.115310 0.112222 0.845360 P\n0.545928 0.246821 0.009113 P\n0.878542 0.606109 0.965704 O\n0.621457 0.106109 0.534295 O\n0.087152 0.366590 0.417685 O\n0.412848 0.866590 0.082315 O\n0.378542 0.893891 0.465705 O\n0.912847 0.633411 0.582315 O\n0.587151 0.133410 0.917684 O\n0.549963 0.827459 0.899080 O\n0.455495 0.377759 0.399957 O\n0.940817 0.422107 0.196223 O\n0.559182 0.922107 0.303776 O\n0.384156 0.706545 0.315166 O\n0.115843 0.206545 0.184833 O\n0.615843 0.293455 0.684833 O\n0.884156 0.793456 0.815166 O\n0.121457 0.393891 0.034295 O\n0.044505 0.877759 0.100043 O\n0.544504 0.622242 0.600042 O\n0.955494 0.122242 0.899957 O\n0.950036 0.327459 0.600919 O\n0.450036 0.172542 0.100920 O\n0.049963 0.672542 0.399080 O\n0.960123 0.127057 0.448444 O\n0.539876 0.627057 0.051555 O\n0.039876 0.872944 0.551555 O\n0.460123 0.372943 0.948444 O\n0.888259 0.002076 0.251113 O\n0.611740 0.502076 0.248887 O\n0.111740 0.997924 0.748886 O\n0.388259 0.497924 0.751113 O\n0.676782 0.234883 0.304113 O\n0.823217 0.734884 0.195886 O\n0.323217 0.765117 0.695886 O\n0.176782 0.265117 0.804113 O\n0.761342 0.954809 0.074165 O\n0.738657 0.454809 0.425835 O\n0.238657 0.045192 0.925835 O\n0.440817 0.077893 0.696223 O\n0.731305 0.029625 0.718991 O\n0.768694 0.529625 0.781008 O\n0.268694 0.970376 0.281008 O\n0.231305 0.470376 0.218992 O\n0.800161 0.807762 0.441009 O\n0.699838 0.307762 0.058991 O\n0.199838 0.192238 0.558991 O\n0.300161 0.692238 0.941009 O\n0.059182 0.577893 0.803776 O\n0.261342 0.545192 0.574165 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"In",
"P",
"O"
],
"chemical_system": "In-Li-O-P",
"density": 3.764776755620068,
"density_atomic": 0.08469613491237449,
"volume": 944.5531379060798,
"volume_molar": 7.11028993971263,
"formula_full": "Li12 In8 P12 O48",
"formula_reduced": "Li3In2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.347890422,
"spacegroup": 14
},
{
"id": "jvasp-23296",
"created_at": "2022-09-04T14:37:49.608916Z",
"updated_at": "2022-09-04T14:37:49.608941Z",
"structure_string": "Ca12 Cr8 Si12 O48\n1.0\n9.843677 -0.000000 -3.480265\n-4.921838 8.524874 -3.480265\n0.000000 0.000000 10.440795\nCa Cr Si O\n12 8 12 48\ndirect\n0.375000 0.750000 0.124999 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.750000 0.624999 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.749999 Ca\n0.875000 0.625000 0.249999 Ca\n0.250000 0.875000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.500000 0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n-0.000000 0.500000 -0.000000 Cr\n-0.000000 -0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.875000 0.249999 Si\n0.875000 0.250000 0.125000 Si\n0.625000 0.750000 0.374999 Si\n0.750000 0.375000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.508534 0.394221 0.807390 O\n0.491466 0.385685 0.298854 O\n0.692610 0.086831 0.701146 O\n0.086831 0.701145 0.692610 O\n0.991466 0.798854 0.885685 O\n0.807390 0.508534 0.394221 O\n0.413169 0.105779 0.614315 O\n0.885685 0.991465 0.798854 O\n0.298854 0.491465 0.385685 O\n0.394221 0.086831 0.885686 O\n0.385685 0.586831 0.894221 O\n0.491465 0.605779 0.192610 O\n0.114314 0.008534 0.201146 O\n0.586831 0.894221 0.385685 O\n0.192610 0.491465 0.605779 O\n0.008534 0.201146 0.114314 O\n0.913169 0.298854 0.307389 O\n0.894221 0.008534 0.307390 O\n0.307389 0.913168 0.298854 O\n0.192610 0.201146 0.586831 O\n0.605779 0.192610 0.491465 O\n0.586831 0.192610 0.201146 O\n0.201146 0.114314 0.008534 O\n0.201146 0.586831 0.192610 O\n0.114314 0.605779 0.913169 O\n0.008534 0.307390 0.894221 O\n0.894221 0.385685 0.586831 O\n0.105779 0.991465 0.692610 O\n0.605779 0.913168 0.114314 O\n0.913169 0.114314 0.605779 O\n0.086831 0.885685 0.394221 O\n0.508534 0.614314 0.701145 O\n0.614314 0.701145 0.508534 O\n0.692610 0.105779 0.991466 O\n0.701146 0.692610 0.086831 O\n0.807390 0.798854 0.413168 O\n0.394221 0.807389 0.508534 O\n0.105779 0.614314 0.413168 O\n0.413168 0.807389 0.798854 O\n0.798854 0.413168 0.807390 O\n0.885686 0.394221 0.086831 O\n0.991466 0.692610 0.105778 O\n0.701146 0.508534 0.614314 O\n0.298854 0.307390 0.913169 O\n0.307389 0.894221 0.008534 O\n0.385686 0.298854 0.491465 O\n0.798854 0.885685 0.991465 O\n0.614314 0.413168 0.105779 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Si",
"O"
],
"chemical_system": "Ca-Cr-O-Si",
"density": 3.7941370894679016,
"density_atomic": 0.0913084761328316,
"volume": 876.1508612148939,
"volume_molar": 6.595379766539144,
"formula_full": "Ca12 Cr8 Si12 O48",
"formula_reduced": "Ca3Cr2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.805585193,
"spacegroup": 230
},
{
"id": "jvasp-57456",
"created_at": "2022-09-04T14:38:34.260368Z",
"updated_at": "2022-09-04T14:38:34.260393Z",
"structure_string": "K3 Nb3 B2 O12\n1.0\n4.450485 -7.708465 -0.000000\n4.450485 7.708465 -0.000000\n0.000000 0.000000 3.991315\nK Nb B O\n3 3 2 12\ndirect\n0.403665 -0.000000 0.502403 K\n-0.000000 0.403665 0.502403 K\n0.596334 0.596334 0.502403 K\n-0.000001 0.752429 0.986188 Nb\n0.247571 0.247571 0.986188 Nb\n0.752429 -0.000001 0.986188 Nb\n0.333332 0.666667 0.017358 B\n0.666667 0.333332 0.017358 B\n0.263338 0.263338 0.513913 O\n0.505359 0.318090 0.017550 O\n0.819002 0.819002 0.012856 O\n0.180997 -0.000000 0.012856 O\n0.318090 0.505359 0.017550 O\n0.187267 0.681909 0.017550 O\n-0.000000 0.180997 0.012856 O\n0.494640 0.812732 0.017550 O\n0.812732 0.494640 0.017550 O\n-0.000001 0.736662 0.513913 O\n0.681909 0.187267 0.017550 O\n0.736662 -0.000001 0.513913 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Nb",
"B",
"O"
],
"chemical_system": "B-K-Nb-O",
"density": 3.6965225108277764,
"density_atomic": 0.07303125255821694,
"volume": 273.8553605397495,
"volume_molar": 8.245977645254607,
"formula_full": "K3 Nb3 B2 O12",
"formula_reduced": "K3Nb3(BO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.128308968333333,
"spacegroup": 157
},
{
"id": "jvasp-89420",
"created_at": "2022-09-04T14:36:20.048666Z",
"updated_at": "2022-09-04T14:36:20.048681Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"K",
"U",
"Si",
"O"
],
"chemical_system": "K-O-Si-U",
"density": 5.382741445801857,
"density_atomic": 0.062136038752758624,
"volume": 675.9362335136844,
"volume_molar": 9.691864626199134,
"formula_full": "K6 U6 Si4 O26",
"formula_reduced": "K3U3Si2O13",
"formula_anonymous": "A2B3C3D13",
"energy_above_hull": 3.035545461904762,
"spacegroup": 190
}
]
}