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_reduced&page=696",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=694",
"results": [
{
"id": "jvasp-26630",
"created_at": "2022-09-04T14:37:49.064942Z",
"updated_at": "2022-09-04T14:37:49.064966Z",
"structure_string": "Bi4 Rh4 O14\n1.0\n6.344382 0.000000 3.662930\n2.114794 5.981540 3.662930\n0.000000 0.000000 7.325860\nBi Rh O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Rh\n-0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.919405 0.330594 0.919406 O\n0.919405 0.330594 0.330594 O\n0.080594 0.080594 0.669406 O\n0.669405 0.669406 0.080594 O\n0.669406 0.080594 0.669406 O\n0.669406 0.080594 0.080594 O\n0.330593 0.919406 0.330594 O\n0.080594 0.669406 0.080594 O\n0.330593 0.919406 0.919406 O\n0.375000 0.375000 0.375000 O\n0.080594 0.669406 0.669406 O\n0.624999 0.625000 0.625000 O\n0.919405 0.919406 0.330595 O\n0.330594 0.330594 0.919406 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"Rh",
"O"
],
"chemical_system": "Bi-O-Rh",
"density": 8.789391352990803,
"density_atomic": 0.07913374703480038,
"volume": 278.01034102840015,
"volume_molar": 7.610079120039222,
"formula_full": "Bi4 Rh4 O14",
"formula_reduced": "Bi2Rh2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.580986281818182,
"spacegroup": 227
},
{
"id": "jvasp-38897",
"created_at": "2022-09-04T14:37:37.309881Z",
"updated_at": "2022-09-04T14:37:37.309903Z",
"structure_string": "Bi4 Rh6 S4\n1.0\n-5.760412 -4.202713 0.049359\n5.760412 -4.202713 -0.049359\n0.152514 4.202713 5.858216\nBi Rh S\n4 6 4\ndirect\n0.252853 0.994286 0.247138 Bi\n0.748651 0.497883 0.246533 Bi\n0.251350 0.502117 0.753468 Bi\n0.747148 0.005714 0.752863 Bi\n-0.000000 0.499999 -0.000000 Rh\n0.246251 0.246251 -0.000000 Rh\n0.753748 0.753748 -0.000000 Rh\n0.500000 0.000001 0.000000 Rh\n0.004317 0.243582 0.247897 Rh\n-0.004315 0.756418 0.752103 Rh\n0.304210 0.548313 0.308082 S\n0.759769 0.003872 0.308082 S\n0.695790 0.451688 0.691918 S\n0.240231 0.996129 0.691919 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"Rh",
"S"
],
"chemical_system": "Bi-Rh-S",
"density": 9.257084666126392,
"density_atomic": 0.049346062984169596,
"volume": 283.7105769611499,
"volume_molar": 12.203893068291842,
"formula_full": "Bi4 Rh6 S4",
"formula_reduced": "Bi2Rh3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.2700068000000004,
"spacegroup": 12
},
{
"id": "jvasp-96989",
"created_at": "2022-09-04T14:35:49.875545Z",
"updated_at": "2022-09-04T14:35:49.875572Z",
"structure_string": "Bi4 Ru4 O14\n1.0\n6.348930 -0.000000 3.665556\n2.116310 5.985828 3.665556\n0.000000 -0.000000 7.331113\nBi Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000000 Ru\n0.077477 0.672523 0.077478 O\n0.672523 0.077477 0.672523 O\n0.672523 0.077477 0.077478 O\n0.625000 0.625000 0.625000 O\n0.922523 0.327477 0.327478 O\n0.327477 0.922523 0.327478 O\n0.327477 0.327477 0.922523 O\n0.922523 0.922523 0.327478 O\n0.922523 0.327477 0.922523 O\n0.077477 0.672523 0.672523 O\n0.327477 0.922523 0.922523 O\n0.375000 0.375000 0.375000 O\n0.672523 0.672523 0.077478 O\n0.077477 0.077477 0.672523 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-O-Ru",
"density": 8.72675527410098,
"density_atomic": 0.07896379183096458,
"volume": 278.6087077365122,
"volume_molar": 7.626458431595354,
"formula_full": "Bi4 Ru4 O14",
"formula_reduced": "Bi2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.925661281818181,
"spacegroup": 227
},
{
"id": "jvasp-110280",
"created_at": "2022-09-04T14:38:37.106993Z",
"updated_at": "2022-09-04T14:38:37.107001Z",
"structure_string": "Bi2 Sb2 Te3\n1.0\n4.420726 0.021311 13.577788\n2.172392 3.850193 13.577788\n0.036293 0.021311 14.279280\nBi Sb Te\n2 2 3\ndirect\n0.853592 0.853590 0.853593 Bi\n0.146408 0.146408 0.146409 Bi\n0.712737 0.712735 0.712737 Sb\n0.287264 0.287263 0.287264 Sb\n0.580585 0.580583 0.580585 Te\n0.419416 0.419415 0.419416 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"Te"
],
"chemical_system": "Bi-Sb-Te",
"density": 7.229982116504306,
"density_atomic": 0.029185616559303487,
"volume": 239.84417069882366,
"volume_molar": 20.63393366305405,
"formula_full": "Bi2 Sb2 Te3",
"formula_reduced": "Bi2Sb2Te3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.2502163000000002,
"spacegroup": 166
},
{
"id": "jvasp-101468",
"created_at": "2022-09-04T14:38:40.877398Z",
"updated_at": "2022-09-04T14:38:40.877425Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n4.202424 -0.023185 19.751461\n2.058244 3.663951 19.751461\n-0.039868 -0.023185 20.193538\nBi Sb Te Se\n2 2 3 3\ndirect\n0.199874 0.199875 0.199875 Bi\n0.695621 0.695625 0.695624 Bi\n0.300649 0.300650 0.300650 Sb\n0.804812 0.804817 0.804816 Sb\n0.392751 0.392753 0.392752 Te\n0.605191 0.605194 0.605193 Te\n0.109154 0.109155 0.109154 Te\n0.997796 0.997802 0.997801 Se\n0.501840 0.501843 0.501843 Se\n0.892292 0.892297 0.892296 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Sb",
"Te",
"Se"
],
"chemical_system": "Bi-Sb-Se-Te",
"density": 6.73705653292777,
"density_atomic": 0.031667767826949786,
"volume": 315.7784929662721,
"volume_molar": 19.016625336235606,
"formula_full": "Bi2 Sb2 Te3 Se3",
"formula_reduced": "Bi2Sb2(TeSe)3",
"formula_anonymous": "A2B2C3D3",
"energy_above_hull": 1.40191742,
"spacegroup": 160
},
{
"id": "jvasp-1067",
"created_at": "2022-09-04T14:37:11.499661Z",
"updated_at": "2022-09-04T14:37:11.499676Z",
"structure_string": "Bi2 Se3\n1.0\n4.113792 0.008072 9.142179\n1.968617 3.612187 9.142179\n0.013562 0.008072 10.025095\nBi Se\n2 3\ndirect\n0.399996 0.399995 0.399996 Bi\n0.600005 0.600004 0.600005 Bi\n0.000000 0.000000 0.000000 Se\n0.212773 0.212772 0.212773 Se\n0.787228 0.787227 0.787228 Se\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.336994209145318,
"density_atomic": 0.03373675853585113,
"volume": 148.20629535841852,
"volume_molar": 17.85038344333062,
"formula_full": "Bi2 Se3",
"formula_reduced": "Bi2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.1916537399999998,
"spacegroup": 166
},
{
"id": "jvasp-5215",
"created_at": "2022-09-04T14:37:08.344950Z",
"updated_at": "2022-09-04T14:37:08.344971Z",
"structure_string": "Bi8 Se12\n1.0\n4.167020 0.000000 0.000000\n0.000000 11.627026 0.000000\n0.000000 0.000000 11.966218\nBi Se\n8 12\ndirect\n0.250000 0.961454 0.842552 Bi\n0.750000 0.038547 0.157448 Bi\n0.750000 0.461454 0.657448 Bi\n0.250000 0.538547 0.342552 Bi\n0.250000 0.171087 0.509793 Bi\n0.750000 0.828913 0.490207 Bi\n0.750000 0.671087 0.990207 Bi\n0.250000 0.328913 0.009793 Bi\n0.750000 0.133717 0.945193 Se\n0.250000 0.866283 0.054807 Se\n0.250000 0.553780 0.874384 Se\n0.750000 0.446220 0.125616 Se\n0.750000 0.053780 0.625616 Se\n0.750000 0.698288 0.282283 Se\n0.250000 0.198288 0.217717 Se\n0.750000 0.801713 0.782283 Se\n0.750000 0.366283 0.445193 Se\n0.250000 0.301713 0.717717 Se\n0.250000 0.946220 0.374384 Se\n0.250000 0.633718 0.554807 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.502287104750455,
"density_atomic": 0.034496803637123166,
"volume": 579.7638590051088,
"volume_molar": 17.457097832447793,
"formula_full": "Bi8 Se12",
"formula_reduced": "Bi2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.19669174,
"spacegroup": 62
},
{
"id": "jvasp-29381",
"created_at": "2022-09-04T14:37:10.441359Z",
"updated_at": "2022-09-04T14:37:10.441378Z",
"structure_string": "Bi2 Se1 O2\n1.0\n4.012188 -0.000935 -1.220727\n-0.370683 3.995443 -1.220832\n-0.384044 -0.421422 5.965763\nBi Se O\n2 1 2\ndirect\n0.689332 0.689329 0.379767 Bi\n0.310671 0.310670 0.620232 Bi\n-0.000000 -0.000000 0.000000 Se\n0.500000 -0.000001 -0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se",
"density": 9.598454306867515,
"density_atomic": 0.054642749989185495,
"volume": 91.50344741049022,
"volume_molar": 11.020932806624593,
"formula_full": "Bi2 Se1 O2",
"formula_reduced": "Bi2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6569117933333333,
"spacegroup": 139
},
{
"id": "jvasp-26400",
"created_at": "2022-09-04T14:37:43.923524Z",
"updated_at": "2022-09-04T14:37:43.923542Z",
"structure_string": "Bi2 Se1 O2\n1.0\n3.752769 -0.000000 -1.140766\n-0.346769 3.736714 -1.140766\n0.008476 0.009299 6.770997\nBi Se O\n2 1 2\ndirect\n0.353396 0.353395 0.706791 Bi\n0.646605 0.646604 0.293208 Bi\n0.000000 0.000000 0.000000 Se\n0.750001 0.250000 0.500000 O\n0.250000 0.749999 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se",
"density": 9.242307792642533,
"density_atomic": 0.05261525427850718,
"volume": 95.0294751695698,
"volume_molar": 11.445617516401486,
"formula_full": "Bi2 Se1 O2",
"formula_reduced": "Bi2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4864417933333332,
"spacegroup": 139
},
{
"id": "jvasp-29262",
"created_at": "2022-09-04T14:35:49.762241Z",
"updated_at": "2022-09-04T14:35:49.762269Z",
"structure_string": "Bi8 Se4 O20\n1.0\n5.544918 -0.000000 -0.000000\n-2.772458 8.220124 0.000000\n0.000000 -0.000000 11.370567\nBi Se O\n8 4 20\ndirect\n0.403253 0.829984 0.612970 Bi\n0.903253 0.829984 0.387030 Bi\n0.073269 0.170016 0.612970 Bi\n0.247103 0.500000 0.876580 Bi\n0.747104 0.500000 0.123420 Bi\n0.763126 0.500000 0.615685 Bi\n0.263126 0.500000 0.384315 Bi\n0.573270 0.170016 0.387030 Bi\n0.894058 0.827915 0.863532 Se\n0.066143 0.172085 0.136468 Se\n0.394058 0.827915 0.136468 Se\n0.566143 0.172085 0.863532 Se\n0.344671 0.297186 0.073106 O\n0.047484 0.702813 0.926895 O\n0.764081 0.000000 0.500000 O\n0.264081 0.000000 0.500000 O\n0.440725 0.311438 0.795341 O\n0.169747 0.099454 0.260525 O\n0.070293 0.900546 0.739475 O\n0.547485 0.702813 0.073106 O\n0.844671 0.297186 0.926895 O\n0.138809 0.500000 0.700555 O\n0.638810 0.500000 0.299445 O\n0.062010 0.673555 0.506335 O\n0.388457 0.326445 0.493666 O\n0.562011 0.673555 0.493666 O\n0.888457 0.326445 0.506335 O\n0.629287 0.688562 0.795341 O\n0.940726 0.311438 0.204660 O\n0.129287 0.688562 0.204660 O\n0.570293 0.900546 0.260525 O\n0.669747 0.099454 0.739475 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se",
"density": 7.3937950650179385,
"density_atomic": 0.061743942929157365,
"volume": 518.2694606451612,
"volume_molar": 9.753411386295127,
"formula_full": "Bi8 Se4 O20",
"formula_reduced": "Bi2SeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.0627886833333333,
"spacegroup": 39
},
{
"id": "jvasp-49927",
"created_at": "2022-09-04T14:37:50.259359Z",
"updated_at": "2022-09-04T14:37:50.259382Z",
"structure_string": "Bi4 Se2 O12\n1.0\n5.746835 -0.116874 -0.000109\n-0.107347 5.760967 0.000112\n2.873614 -0.058866 7.862414\nBi Se O\n4 2 12\ndirect\n0.124775 0.502829 0.655289 Bi\n0.621863 0.010281 0.656322 Bi\n0.280064 0.002820 0.344711 Bi\n0.778184 0.510269 0.343682 Bi\n0.002749 0.085609 0.050824 Se\n0.553574 0.585638 -0.050825 Se\n0.160045 0.283444 0.129237 O\n0.473016 0.608279 0.161734 O\n0.451096 0.264410 0.505665 O\n0.456771 0.764410 0.494332 O\n-0.043936 0.248091 0.496931 O\n0.789230 0.783523 0.870766 O\n0.676872 0.337802 0.855439 O\n0.032253 0.837756 0.144551 O\n0.134762 0.108255 0.838265 O\n0.348764 0.659228 0.858135 O\n-0.047009 0.748093 0.503073 O\n0.706916 0.159267 0.141864 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se",
"density": 7.567539825083192,
"density_atomic": 0.0691757821233305,
"volume": 260.20667128719384,
"volume_molar": 8.705562228791843,
"formula_full": "Bi4 Se2 O12",
"formula_reduced": "Bi2SeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.198664774074074,
"spacegroup": 9
},
{
"id": "jvasp-22531",
"created_at": "2022-09-04T14:36:57.872298Z",
"updated_at": "2022-09-04T14:36:57.872330Z",
"structure_string": "Bi4 S2 O4\n1.0\n3.869820 0.000000 0.000000\n0.000000 3.881787 0.000000\n0.000000 0.000000 12.096678\nBi S O\n4 2 4\ndirect\n0.500000 0.451376 0.856872 Bi\n0.500000 0.548625 0.143128 Bi\n0.000000 0.951376 0.643128 Bi\n0.000000 0.048624 0.356872 Bi\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.000000 0.463587 0.749673 O\n0.000000 0.536413 0.250327 O\n0.500000 0.963588 0.750327 O\n0.500000 0.036413 0.249673 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"S",
"O"
],
"chemical_system": "Bi-O-S",
"density": 8.809671400788993,
"density_atomic": 0.05503150798033098,
"volume": 181.71408284094517,
"volume_molar": 10.943077849424727,
"formula_full": "Bi4 S2 O4",
"formula_reduced": "Bi2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5921791199999995,
"spacegroup": 58
}
]
}