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_full&page=330",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=328",
"results": [
{
"id": "jvasp-65670",
"created_at": "2022-09-04T14:36:21.865158Z",
"updated_at": "2022-09-04T14:36:21.865182Z",
"structure_string": "Ba2 Ga1 Se1\n1.0\n0.000000 4.045055 4.045055\n4.045055 0.000000 4.045055\n4.045055 4.045055 0.000000\nBa Ga Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Se"
],
"chemical_system": "Ba-Ga-Se",
"density": 5.310458711228051,
"density_atomic": 0.030217372797780716,
"volume": 132.37418179166707,
"volume_molar": 19.9293988934812,
"formula_full": "Ba2 Ga1 Se1",
"formula_reduced": "Ba2GaSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66150",
"created_at": "2022-09-04T14:36:04.412643Z",
"updated_at": "2022-09-04T14:36:04.412664Z",
"structure_string": "Ba2 Ga1 Si1\n1.0\n0.000000 4.045593 4.045593\n4.045593 0.000000 4.045593\n4.045593 4.045593 0.000000\nBa Ga Si\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Si"
],
"chemical_system": "Ba-Ga-Si",
"density": 4.670410867937064,
"density_atomic": 0.030205319100280396,
"volume": 132.4270068698883,
"volume_molar": 19.937351894898857,
"formula_full": "Ba2 Ga1 Si1",
"formula_reduced": "Ba2GaSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4796407162499999,
"spacegroup": 225
},
{
"id": "jvasp-10687",
"created_at": "2022-09-04T14:37:06.542649Z",
"updated_at": "2022-09-04T14:37:06.542678Z",
"structure_string": "Ba2 Ga2 B2 O6 F4\n1.0\n2.464748 -4.269068 -0.000000\n2.464748 4.269068 0.000000\n0.000000 0.000000 9.624282\nBa Ga B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.750000 Ga\n0.333333 0.666668 0.250000 Ga\n0.333333 0.666668 0.750000 B\n0.666668 0.333333 0.250000 B\n0.066326 0.375080 0.750000 O\n0.308754 0.933675 0.750000 O\n0.375080 0.308754 0.250000 O\n0.691247 0.066326 0.250000 O\n0.624921 0.691247 0.750000 O\n0.933675 0.624921 0.250000 O\n0.666668 0.333333 0.957016 F\n0.333333 0.666668 0.457016 F\n0.666668 0.333333 0.542984 F\n0.333333 0.666668 0.042984 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Ga",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-Ga-O",
"density": 4.982450444498425,
"density_atomic": 0.07899799190374189,
"volume": 202.53679384022584,
"volume_molar": 7.623156759905881,
"formula_full": "Ba2 Ga2 B2 O6 F4",
"formula_reduced": "BaGaBO3F2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.1891002429166666,
"spacegroup": 176
},
{
"id": "jvasp-41962",
"created_at": "2022-09-04T14:38:31.299516Z",
"updated_at": "2022-09-04T14:38:31.299545Z",
"structure_string": "Ba2 Ga2 O5\n1.0\n3.986012 0.000000 -0.000000\n0.000000 3.986012 0.000000\n-0.000000 0.000000 8.252049\nBa Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.270419 Ga\n0.500000 0.500000 0.729581 Ga\n0.500000 0.000000 0.230055 O\n0.500000 0.000000 0.769945 O\n0.000000 0.500000 0.230055 O\n0.000000 0.500000 0.769945 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"O"
],
"chemical_system": "Ba-Ga-O",
"density": 6.257809132141633,
"density_atomic": 0.06864414621095505,
"volume": 131.11096133880784,
"volume_molar": 8.772985159569098,
"formula_full": "Ba2 Ga2 O5",
"formula_reduced": "Ba2Ga2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.1414104544444443,
"spacegroup": 123
},
{
"id": "jvasp-109789",
"created_at": "2022-09-04T14:38:19.777978Z",
"updated_at": "2022-09-04T14:38:19.778003Z",
"structure_string": "Ba2 Ga2 Sn2\n1.0\n4.610025 0.000000 0.000000\n-2.305013 3.992399 0.000000\n-0.000000 -0.000000 10.656392\nBa Ga Sn\n2 2 2\ndirect\n0.000000 0.000000 0.230112 Ba\n0.000000 0.000000 0.769887 Ba\n0.333334 0.666667 0.001601 Ga\n0.666668 0.333333 0.998399 Ga\n0.666668 0.333333 0.556235 Sn\n0.333334 0.666667 0.443765 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Sn"
],
"chemical_system": "Ba-Ga-Sn",
"density": 5.51606586071021,
"density_atomic": 0.03059171635508385,
"volume": 196.13152561814,
"volume_molar": 19.685527579099748,
"formula_full": "Ba2 Ga2 Sn2",
"formula_reduced": "BaGaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-57069",
"created_at": "2022-09-04T14:37:45.294818Z",
"updated_at": "2022-09-04T14:37:45.294847Z",
"structure_string": "Ba2 Ga4 B4 O14\n1.0\n5.844336 -0.000000 -0.000000\n-0.000000 7.050121 -2.116898\n-0.000000 0.022333 7.361043\nBa Ga B O\n2 4 4 14\ndirect\n0.750000 0.195753 0.195753 Ba\n0.250000 0.804247 0.804246 Ba\n0.750000 0.126590 0.709797 Ga\n0.250000 0.290202 0.873410 Ga\n0.750000 0.709797 0.126590 Ga\n0.250000 0.873410 0.290202 Ga\n0.250000 0.504818 0.282474 B\n0.750000 0.495182 0.717525 B\n0.750000 0.717525 0.495182 B\n0.250000 0.282474 0.504818 B\n0.750000 0.585949 0.319902 O\n0.750000 0.905697 0.507835 O\n0.750000 0.507835 0.905697 O\n0.250000 0.680097 0.414050 O\n0.250000 0.094303 0.492164 O\n0.250000 0.334405 0.334405 O\n0.750000 0.665594 0.665594 O\n0.500000 0.867494 0.132506 O\n0.750000 0.319902 0.585949 O\n0.000000 0.867494 0.132506 O\n0.250000 0.414050 0.680097 O\n0.500000 0.132506 0.867494 O\n0.000000 0.132506 0.867494 O\n0.250000 0.492164 0.094303 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ba-Ga-O",
"density": 4.489625874142044,
"density_atomic": 0.07905779266932368,
"volume": 303.5753869373155,
"volume_molar": 7.6173904641999135,
"formula_full": "Ba2 Ga4 B4 O14",
"formula_reduced": "BaGa2B2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.301849190555556,
"spacegroup": 63
},
{
"id": "jvasp-10183",
"created_at": "2022-09-04T14:37:16.371101Z",
"updated_at": "2022-09-04T14:37:16.371125Z",
"structure_string": "Ba2 Ga4 Se8\n1.0\n6.501387 -0.116590 0.000000\n-3.311040 5.596305 0.000000\n0.000000 0.000000 11.421080\nBa Ga Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ba\n0.500000 0.500000 0.750000 Ba\n0.242560 0.759138 0.500000 Ga\n0.757441 0.240862 0.500000 Ga\n0.240863 0.757441 0.000000 Ga\n0.759138 0.242560 0.000000 Ga\n0.500000 0.000000 0.336136 Se\n0.000000 0.500000 0.163864 Se\n0.653132 0.825016 0.000000 Se\n0.346868 0.174985 0.000000 Se\n0.825016 0.653132 0.500000 Se\n0.174985 0.346868 0.500000 Se\n0.500000 0.000000 0.663865 Se\n0.000000 0.500000 0.836136 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Se"
],
"chemical_system": "Ba-Ga-Se",
"density": 4.787052768007154,
"density_atomic": 0.03405226332043746,
"volume": 411.13273054004287,
"volume_molar": 17.68499410253778,
"formula_full": "Ba2 Ga4 Se8",
"formula_reduced": "Ba(GaSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5956121815476192,
"spacegroup": 66
},
{
"id": "jvasp-110287",
"created_at": "2022-09-04T14:37:55.048788Z",
"updated_at": "2022-09-04T14:37:55.048821Z",
"structure_string": "Ba2 Ga7 Ag1\n1.0\n4.620785 -0.000000 0.000000\n0.000000 4.620785 0.000000\n0.000000 0.000000 10.916591\nBa Ga Ag\n2 7 1\ndirect\n0.499999 0.000000 0.747339 Ba\n-0.000000 0.499999 0.252661 Ba\n-0.000000 0.499999 0.872045 Ga\n0.499999 0.000000 0.371227 Ga\n0.499999 0.000000 0.127955 Ga\n-0.000000 0.499999 0.628773 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.500000 Ga\n0.499999 0.499999 -0.000000 Ag\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ba-Ga",
"density": 6.20212931015682,
"density_atomic": 0.04290238512573349,
"volume": 233.08727406863568,
"volume_molar": 14.036843738060218,
"formula_full": "Ba2 Ga7 Ag1",
"formula_reduced": "Ba2Ga7Ag",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-19109",
"created_at": "2022-09-04T14:37:04.944897Z",
"updated_at": "2022-09-04T14:37:04.944920Z",
"structure_string": "Ba2 Ga8 S14\n1.0\n5.967420 0.000000 0.000000\n0.000000 6.261993 0.000000\n0.000000 0.000000 14.812603\nBa Ga S\n2 8 14\ndirect\n0.450857 0.665977 0.500000 Ba\n0.950857 0.334022 0.000000 Ba\n0.340410 0.828134 0.880245 Ga\n0.840410 0.171866 0.619755 Ga\n0.840410 0.171866 0.380245 Ga\n0.340410 0.828134 0.119755 Ga\n0.356803 0.312210 0.751462 Ga\n0.856803 0.687790 0.748538 Ga\n0.856803 0.687790 0.251462 Ga\n0.356803 0.312210 0.248538 Ga\n0.958293 0.369252 0.500000 S\n0.458293 0.630748 0.000000 S\n0.949628 0.824159 0.612791 S\n0.449628 0.175841 0.887208 S\n0.956938 0.809032 0.114236 S\n0.456938 0.190968 0.385764 S\n0.461852 0.673259 0.744564 S\n0.956938 0.809032 0.885764 S\n0.961852 0.326741 0.244564 S\n0.461852 0.673259 0.255436 S\n0.449628 0.175841 0.112791 S\n0.961852 0.326741 0.755436 S\n0.456938 0.190968 0.614236 S\n0.949628 0.824159 0.387209 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"S"
],
"chemical_system": "Ba-Ga-S",
"density": 3.844019890932154,
"density_atomic": 0.043359141545497075,
"volume": 553.5164937436923,
"volume_molar": 13.888975992942395,
"formula_full": "Ba2 Ga8 S14",
"formula_reduced": "BaGa4S7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.0556812725000002,
"spacegroup": 31
},
{
"id": "jvasp-106639",
"created_at": "2022-09-04T14:38:48.650493Z",
"updated_at": "2022-09-04T14:38:48.650517Z",
"structure_string": "Ba2 Gd1 U1 O6\n1.0\n5.408504 -0.000000 3.122601\n1.802835 5.099187 3.122601\n-0.000000 -0.000000 6.245203\nBa Gd U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750000 Ba\n0.499999 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 U\n0.756596 0.243403 0.243403 O\n0.243402 0.756597 0.756596 O\n0.243402 0.756597 0.243403 O\n0.756596 0.243403 0.756597 O\n0.243403 0.243403 0.756596 O\n0.756595 0.756597 0.243403 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Gd",
"U",
"O"
],
"chemical_system": "Ba-Gd-O-U",
"density": 7.38436461820213,
"density_atomic": 0.058059774692973506,
"volume": 172.23628670419586,
"volume_molar": 10.37231162512384,
"formula_full": "Ba2 Gd1 U1 O6",
"formula_reduced": "Ba2GdUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.816990244,
"spacegroup": 225
},
{
"id": "jvasp-65639",
"created_at": "2022-09-04T14:35:56.565196Z",
"updated_at": "2022-09-04T14:35:56.565211Z",
"structure_string": "Ba2 Ge1 Bi1\n1.0\n0.000000 4.193983 4.193983\n4.193983 0.000000 4.193983\n4.193983 4.193983 0.000000\nBa Ge Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Bi"
],
"chemical_system": "Ba-Bi-Ge",
"density": 6.260776184182406,
"density_atomic": 0.027111278506457667,
"volume": 147.5400726324004,
"volume_molar": 22.212677128323474,
"formula_full": "Ba2 Ge1 Bi1",
"formula_reduced": "Ba2GeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1532230475,
"spacegroup": 225
},
{
"id": "jvasp-66556",
"created_at": "2022-09-04T14:36:18.881769Z",
"updated_at": "2022-09-04T14:36:18.881797Z",
"structure_string": "Ba2 Ge1 P1\n1.0\n0.000000 3.985280 3.985280\n3.985280 -0.000000 3.985280\n3.985280 3.985280 0.000000\nBa Ge P\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"P"
],
"chemical_system": "Ba-Ge-P",
"density": 4.961830366407404,
"density_atomic": 0.031597554860172246,
"volume": 126.5920739025879,
"volume_molar": 19.058882203542673,
"formula_full": "Ba2 Ge1 P1",
"formula_reduced": "Ba2GeP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6802058475,
"spacegroup": 225
}
]
}