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=nsites&page=3560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3558",
"results": [
{
"id": "jvasp-53518",
"created_at": "2022-09-04T14:38:11.705645Z",
"updated_at": "2022-09-04T14:38:11.705669Z",
"structure_string": "Sr2 Yb4 S8\n1.0\n6.931538 0.143396 -2.538481\n-3.341585 6.074586 -2.538481\n-0.082789 -0.143396 7.381276\nYb Sr S\n4 2 8\ndirect\n0.125547 0.750000 0.875547 Yb\n0.250001 0.625547 0.375547 Yb\n0.374454 0.250000 0.624454 Yb\n0.750001 0.874454 0.124454 Yb\n0.625001 0.375000 0.250001 Sr\n0.875000 0.125000 0.750001 Sr\n0.032065 0.854533 0.511570 S\n0.020495 0.342963 0.488431 S\n0.145467 0.157037 0.177532 S\n0.354533 0.532065 0.011569 S\n0.657038 0.645468 0.677533 S\n0.467936 0.979506 0.822469 S\n0.479507 0.967936 0.322469 S\n0.842963 0.520495 0.988432 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Sr",
"S"
],
"chemical_system": "S-Sr-Yb",
"density": 6.03304276838542,
"density_atomic": 0.04525639359102215,
"volume": 309.3485558420034,
"volume_molar": 13.306718194166177,
"formula_full": "Sr2 Yb4 S8",
"formula_reduced": "Sr(YbS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6282953871428572,
"spacegroup": 122
},
{
"id": "jvasp-9115",
"created_at": "2022-09-04T14:38:11.824052Z",
"updated_at": "2022-09-04T14:38:11.824079Z",
"structure_string": "Sr2 N12\n1.0\n5.475580 -0.000000 2.833678\n2.737791 5.803781 1.416840\n0.055724 -0.000000 6.599458\nSr N\n2 12\ndirect\n0.624999 0.750000 0.750001 Sr\n0.375000 0.250000 0.250000 Sr\n0.830848 0.382080 0.497980 N\n0.210908 0.117920 0.002021 N\n0.000491 0.250000 0.999018 N\n0.749508 0.250000 0.500984 N\n0.999508 0.750000 0.000983 N\n0.250491 0.750000 0.499018 N\n0.328827 0.882080 0.502021 N\n0.212928 0.617920 -0.002021 N\n0.789092 0.882080 -0.002021 N\n0.169151 0.617920 0.502021 N\n0.671172 0.117920 0.497980 N\n0.787072 0.382080 0.002021 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 2.73024235817805,
"density_atomic": 0.06704718191450998,
"volume": 208.808179557062,
"volume_molar": 8.981944636657014,
"formula_full": "Sr2 N12",
"formula_reduced": "SrN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.914025115714285,
"spacegroup": 70
},
{
"id": "jvasp-10032",
"created_at": "2022-09-04T14:37:07.982889Z",
"updated_at": "2022-09-04T14:37:07.982915Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n6.623730 0.249562 0.205658\n3.527992 5.611538 0.205658\n3.551826 2.050648 5.800108\nZn Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Zn\n0.625000 0.125000 0.625001 Zn\n0.970587 0.970588 0.029413 Sb\n0.279412 0.279412 0.220588 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625001 Sb\n0.383494 0.383494 0.418677 O\n0.380784 0.885969 0.366624 O\n0.383494 0.383494 0.814336 O\n0.885968 0.380785 0.366624 O\n0.364031 0.869215 0.883377 O\n0.869215 0.364031 0.883377 O\n0.866505 0.866506 0.435666 O\n0.866506 0.866506 0.831324 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 6.033987983316892,
"density_atomic": 0.06820716863470781,
"volume": 205.2570174108646,
"volume_molar": 8.829190363042837,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6647180857142856,
"spacegroup": 74
},
{
"id": "jvasp-34482",
"created_at": "2022-09-04T14:37:19.034310Z",
"updated_at": "2022-09-04T14:37:19.034337Z",
"structure_string": "Sr2 Cl4 O8\n1.0\n5.953362 0.000000 0.000000\n0.000000 5.417897 -2.540679\n0.000000 -0.059969 6.919183\nSr Cl O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.250000 0.072501 0.145002 Cl\n0.250000 0.427499 0.854998 Cl\n0.750000 0.572501 0.145002 Cl\n0.750000 0.927500 0.854998 Cl\n0.596516 0.487836 0.288744 O\n0.096516 0.300908 0.288744 O\n0.903484 0.699092 0.711255 O\n0.403484 0.512165 0.711255 O\n0.903484 0.800908 0.288744 O\n0.596516 0.012164 0.711255 O\n0.403484 0.987836 0.288744 O\n0.096516 0.199092 0.711255 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sr",
"density": 3.3248804881914977,
"density_atomic": 0.06298670712630185,
"volume": 222.26912056105743,
"volume_molar": 9.560970933000702,
"formula_full": "Sr2 Cl4 O8",
"formula_reduced": "Sr(ClO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4419850226785718,
"spacegroup": 68
},
{
"id": "jvasp-42446",
"created_at": "2022-09-04T14:37:29.295305Z",
"updated_at": "2022-09-04T14:37:29.295332Z",
"structure_string": "Li4 Fe2 F8\n1.0\n4.888565 0.113154 0.059211\n0.270623 5.893052 0.095586\n0.289130 2.317463 5.418777\nLi Fe F\n4 2 8\ndirect\n0.927262 0.941065 0.941029 Li\n0.415479 0.054508 0.054495 Li\n0.384876 0.787799 0.787920 Li\n0.825795 0.211887 0.211636 Li\n0.838099 0.575895 0.575834 Fe\n0.243888 0.415859 0.415837 Fe\n0.759381 0.781616 0.781838 F\n0.736726 0.884783 0.273392 F\n0.247833 0.620996 0.621012 F\n0.736705 0.273346 0.884645 F\n0.247650 0.731192 0.110453 F\n0.687860 0.391783 0.391647 F\n0.247656 0.110406 0.731071 F\n0.200792 0.218992 0.218755 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.1263345735865458,
"density_atomic": 0.09044059420843537,
"volume": 154.79774455854056,
"volume_molar": 6.658670050443251,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3166323757142856,
"spacegroup": 8
},
{
"id": "jvasp-35125",
"created_at": "2022-09-04T14:37:30.093711Z",
"updated_at": "2022-09-04T14:37:30.093737Z",
"structure_string": "Ba1 Sr2 Mg1 Si2 O8\n1.0\n2.763842 -4.787115 -0.000000\n2.763842 4.787115 0.000000\n0.000000 0.000000 7.065503\nBa Sr Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666667 0.839138 Sr\n0.666667 0.333332 0.160862 Sr\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.271413 Si\n0.666667 0.333332 0.728587 Si\n0.333332 0.666667 0.500489 O\n0.666667 0.333332 0.499511 O\n0.174659 0.825341 0.176962 O\n0.174659 0.349319 0.176962 O\n0.650680 0.825340 0.176962 O\n0.825341 0.174659 0.823037 O\n0.825340 0.650680 0.823037 O\n0.349319 0.174659 0.823037 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si-Sr",
"density": 4.627628730730641,
"density_atomic": 0.07488035283316082,
"volume": 186.9649309905507,
"volume_molar": 8.042350940062732,
"formula_full": "Ba1 Sr2 Mg1 Si2 O8",
"formula_reduced": "BaSr2Mg(SiO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.8286980599999996,
"spacegroup": 164
},
{
"id": "jvasp-53646",
"created_at": "2022-09-04T14:37:30.115493Z",
"updated_at": "2022-09-04T14:37:30.115520Z",
"structure_string": "In6 As2 Se6\n1.0\n4.209844 0.000000 0.000000\n0.000000 5.965647 0.000000\n0.000000 0.000000 16.754323\nIn As Se\n6 2 6\ndirect\n0.500000 0.496415 0.934692 In\n0.000000 0.996415 0.065308 In\n0.000000 0.994175 0.299513 In\n0.500000 0.485763 0.433006 In\n0.000000 0.985764 0.566993 In\n0.500000 0.494174 0.700487 In\n0.000000 0.750653 0.432902 As\n0.500000 0.250652 0.567098 As\n0.500000 0.220174 0.818108 Se\n0.000000 0.778095 0.926774 Se\n0.500000 0.278095 0.073226 Se\n0.000000 0.720174 0.181892 Se\n0.500000 0.274728 0.293884 Se\n0.000000 0.774729 0.706116 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"In",
"As",
"Se"
],
"chemical_system": "As-In-Se",
"density": 5.17966505876564,
"density_atomic": 0.03327189963639764,
"volume": 420.7754938249683,
"volume_molar": 18.0997803726605,
"formula_full": "In6 As2 Se6",
"formula_reduced": "In3AsSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.7591973942857143,
"spacegroup": 31
},
{
"id": "jvasp-34374",
"created_at": "2022-09-04T14:37:19.272798Z",
"updated_at": "2022-09-04T14:37:19.272823Z",
"structure_string": "Mg4 Si2 O8\n1.0\n4.821527 0.000035 0.000062\n-0.000000 5.184003 -2.965973\n-0.000208 -0.023120 5.972945\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.928454 0.333351 0.666701 Si\n0.071546 0.666650 0.333300 Si\n0.266796 0.333343 0.666687 O\n0.223373 0.375806 0.187895 O\n0.733204 0.666657 0.333314 O\n0.223373 0.812087 0.187895 O\n0.223372 0.812060 0.624121 O\n0.776627 0.624194 0.812106 O\n0.776627 0.187913 0.812106 O\n0.776628 0.187940 0.375880 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.1367246520431076,
"density_atomic": 0.09398370048385792,
"volume": 148.96200009069187,
"volume_molar": 6.407643803123424,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3777229571428569,
"spacegroup": 164
},
{
"id": "jvasp-53641",
"created_at": "2022-09-04T14:37:19.124142Z",
"updated_at": "2022-09-04T14:37:19.124174Z",
"structure_string": "Yb4 Sm2 S8\n1.0\n6.860366 -0.070590 -2.382278\n-3.491316 5.905957 -2.382278\n0.040755 0.070590 7.262108\nYb Sm S\n4 2 8\ndirect\n0.124672 0.750000 0.874672 Yb\n0.250000 0.624673 0.374672 Yb\n0.375327 0.250000 0.625327 Yb\n0.750000 0.875328 0.125327 Yb\n0.625000 0.375000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.998401 0.354335 0.505857 S\n0.507455 0.001599 0.855933 S\n0.151522 0.145666 0.144067 S\n0.348477 0.492545 0.994143 S\n0.645665 0.651523 0.644067 S\n0.501599 0.007456 0.355933 S\n0.992544 0.848478 0.494143 S\n0.854335 0.498402 0.005857 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Yb",
"density": 7.038285102114993,
"density_atomic": 0.04749460625262765,
"volume": 294.77031403382665,
"volume_molar": 12.67963087843648,
"formula_full": "Yb4 Sm2 S8",
"formula_reduced": "Yb2SmS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9306928964285712,
"spacegroup": 122
},
{
"id": "jvasp-9160",
"created_at": "2022-09-04T14:37:19.122726Z",
"updated_at": "2022-09-04T14:37:19.122744Z",
"structure_string": "Th6 Sb8\n1.0\n7.727157 0.000000 -2.731962\n-3.863578 6.691913 -2.731962\n-0.000000 -0.000000 8.195887\nTh Sb\n6 8\ndirect\n0.750000 0.875000 0.125000 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750001 Th\n0.125000 0.750000 0.875000 Th\n0.375000 0.250000 0.625000 Th\n0.250000 0.625000 0.375000 Th\n0.659110 0.659109 0.659110 Sb\n0.340890 0.500000 0.000000 Sb\n0.500000 -0.000000 0.340891 Sb\n-0.000000 0.340890 0.500000 Sb\n0.500000 -0.000000 0.840891 Sb\n-0.000000 0.840890 0.500000 Sb\n0.159110 0.159110 0.159110 Sb\n0.840890 0.500000 0.000000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Th",
"Sb"
],
"chemical_system": "Sb-Th",
"density": 9.271594967340395,
"density_atomic": 0.03303406745148697,
"volume": 423.8049105082218,
"volume_molar": 18.230091613283676,
"formula_full": "Th6 Sb8",
"formula_reduced": "Th3Sb4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.564007314285714,
"spacegroup": 220
},
{
"id": "jvasp-42451",
"created_at": "2022-09-04T14:37:29.368888Z",
"updated_at": "2022-09-04T14:37:29.368901Z",
"structure_string": "Li4 Co2 O2 F6\n1.0\n4.511267 2.716372 0.147366\n-4.511267 2.716372 -0.147366\n-0.077829 0.000000 5.751316\nLi Co O F\n4 2 2 6\ndirect\n0.285659 0.692586 0.679115 Li\n0.307414 0.714340 0.179114 Li\n0.625664 0.350617 0.865900 Li\n0.649383 0.374336 0.365900 Li\n0.056314 0.088728 0.520863 Co\n0.911272 0.943685 0.020862 Co\n0.937496 0.177420 0.791031 O\n0.822580 0.062503 0.291031 O\n0.492316 0.656573 0.924313 F\n0.343427 0.507684 0.424313 F\n0.415372 0.096898 0.610881 F\n0.909176 0.659176 0.607901 F\n0.340823 0.090824 0.107900 F\n0.903102 0.584627 0.110881 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.4339097777169436,
"density_atomic": 0.09927756004954344,
"volume": 141.01877597529034,
"volume_molar": 6.065963705186462,
"formula_full": "Li4 Co2 O2 F6",
"formula_reduced": "Li2CoOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7554421782142858,
"spacegroup": 9
},
{
"id": "jvasp-47675",
"created_at": "2022-09-04T14:37:19.119173Z",
"updated_at": "2022-09-04T14:37:19.119186Z",
"structure_string": "Li2 Cr2 Co2 O8\n1.0\n-2.866211 1.625003 4.672870\n-2.866211 4.947292 -0.025555\n-2.866211 -1.625003 -4.672870\nLi Cr Co O\n2 2 2 8\ndirect\n0.750000 0.126915 0.623085 Li\n0.249999 0.873085 0.376915 Li\n0.500000 -0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.524364 0.738281 0.786084 O\n0.975635 0.738280 0.237353 O\n0.971641 0.288551 0.239807 O\n0.528358 0.731834 0.239807 O\n0.471641 0.268166 0.760193 O\n0.028358 0.711449 0.760193 O\n0.024364 0.261720 0.762647 O\n0.475635 0.261719 0.213916 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.549527691545028,
"density_atomic": 0.10545306697275571,
"volume": 132.76048200302193,
"volume_molar": 5.710730785626035,
"formula_full": "Li2 Cr2 Co2 O8",
"formula_reduced": "LiCrCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.737084614285715,
"spacegroup": 74
}
]
}