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=structure_string&page=296",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=294",
"results": [
{
"id": "jvasp-114056",
"created_at": "2022-09-04T14:38:48.086392Z",
"updated_at": "2022-09-04T14:38:48.086426Z",
"structure_string": "Ba1 Y1 I1\n1.0\n3.796637 0.000000 0.000000\n0.000000 3.796637 -0.000000\n-0.000000 0.000000 9.995216\nBa Y I\n1 1 1\ndirect\n0.000000 0.000000 0.388697 Ba\n0.000000 0.000000 0.009838 Y\n0.000000 0.000000 0.720894 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"I"
],
"chemical_system": "Ba-I-Y",
"density": 4.0700746876252705,
"density_atomic": 0.020822406434751275,
"volume": 144.07556635688326,
"volume_molar": 28.92144468926238,
"formula_full": "Ba1 Y1 I1",
"formula_reduced": "BaYI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7014237120000002,
"spacegroup": 99
},
{
"id": "jvasp-114057",
"created_at": "2022-09-04T14:38:49.873177Z",
"updated_at": "2022-09-04T14:38:49.873202Z",
"structure_string": "Ba1 Y1 I2\n1.0\n4.318609 0.000000 0.000000\n0.000000 4.318609 0.000000\n-0.000000 0.000000 8.172747\nBa Y I\n1 1 2\ndirect\n0.500000 0.500000 0.612226 Ba\n0.000000 0.000000 0.960274 Y\n0.000000 0.000000 0.370800 I\n0.500000 0.500000 0.066700 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"I"
],
"chemical_system": "Ba-I-Y",
"density": 5.229646313877513,
"density_atomic": 0.02624243713287467,
"volume": 152.42486739118763,
"volume_molar": 22.948100168851646,
"formula_full": "Ba1 Y1 I2",
"formula_reduced": "BaYI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.284545213,
"spacegroup": 99
},
{
"id": "jvasp-64283",
"created_at": "2022-09-04T14:36:03.422007Z",
"updated_at": "2022-09-04T14:36:03.422035Z",
"structure_string": "Ba1 Y1 In1\n1.0\n0.000000 3.852052 3.852052\n3.852052 0.000000 3.852052\n3.852052 3.852052 -0.000000\nBa Y In\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"In"
],
"chemical_system": "Ba-In-Y",
"density": 4.954066301633295,
"density_atomic": 0.026243081886280314,
"volume": 114.31584190454313,
"volume_molar": 22.947536368235507,
"formula_full": "Ba1 Y1 In1",
"formula_reduced": "BaYIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7832604633333332,
"spacegroup": 216
},
{
"id": "jvasp-66284",
"created_at": "2022-09-04T14:36:20.176324Z",
"updated_at": "2022-09-04T14:36:20.176349Z",
"structure_string": "Ba1 Y1 Mg1\n1.0\n-0.000000 3.913841 3.913841\n3.913841 0.000000 3.913841\n3.913841 3.913841 0.000000\nBa Y Mg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Mg"
],
"chemical_system": "Ba-Mg-Y",
"density": 3.4696279898874374,
"density_atomic": 0.02501967844039381,
"volume": 119.90561777790698,
"volume_molar": 24.069616939110475,
"formula_full": "Ba1 Y1 Mg1",
"formula_reduced": "BaYMg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7770268233333332,
"spacegroup": 216
},
{
"id": "jvasp-8417",
"created_at": "2022-09-04T14:37:08.990022Z",
"updated_at": "2022-09-04T14:37:08.990046Z",
"structure_string": "Ba1 Y1 Mn1 Cu1 O5\n1.0\n3.899424 0.000000 0.000000\n0.000000 3.899424 0.000000\n0.000000 0.000000 7.602740\nBa Y Mn Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.016604 Ba\n0.000000 0.000000 0.543580 Y\n0.499999 0.499999 0.302530 Mn\n0.499999 0.499999 0.745831 Cu\n0.499999 0.000000 0.349546 O\n0.000000 0.499999 0.349546 O\n0.499999 0.000000 0.722626 O\n0.000000 0.499999 0.722626 O\n0.499999 0.499999 0.059195 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Mn",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Mn-O-Y",
"density": 6.100627496023655,
"density_atomic": 0.0778523004675165,
"volume": 115.60352033213465,
"volume_molar": 7.735340797684853,
"formula_full": "Ba1 Y1 Mn1 Cu1 O5",
"formula_reduced": "BaYMnCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.165015179042145,
"spacegroup": 99
},
{
"id": "jvasp-65330",
"created_at": "2022-09-04T14:36:16.789436Z",
"updated_at": "2022-09-04T14:36:16.789455Z",
"structure_string": "Ba1 Y1 Mo2\n1.0\n3.340847 0.000000 -0.000000\n0.000000 3.340847 0.000000\n0.000000 0.000000 9.321358\nBa Y Mo\n1 1 2\ndirect\n0.500000 0.500000 0.798433 Ba\n0.000000 0.000000 0.416860 Y\n0.000000 0.000000 0.076334 Mo\n0.500000 0.500000 0.208374 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Mo"
],
"chemical_system": "Ba-Mo-Y",
"density": 6.673447541524323,
"density_atomic": 0.03844745787021249,
"volume": 104.03808786273581,
"volume_molar": 15.663300237766066,
"formula_full": "Ba1 Y1 Mo2",
"formula_reduced": "BaYMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.753860805,
"spacegroup": 99
},
{
"id": "jvasp-117610",
"created_at": "2022-09-04T14:38:51.497786Z",
"updated_at": "2022-09-04T14:38:51.497808Z",
"structure_string": "Ba1 Y1 O1\n1.0\n3.753720 1.304591 0.000000\n1.307859 7.821160 0.000000\n0.000000 0.000000 3.811026\nBa Y O\n1 1 1\ndirect\n-0.007737 -0.115249 0.000000 Ba\n0.001126 0.386920 0.000000 Y\n0.283115 0.101671 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"O"
],
"chemical_system": "Ba-O-Y",
"density": 3.816885116666918,
"density_atomic": 0.02846749693147045,
"volume": 105.38334322901213,
"volume_molar": 21.154444222816796,
"formula_full": "Ba1 Y1 O1",
"formula_reduced": "BaYO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.00307164,
"spacegroup": 25
},
{
"id": "jvasp-117612",
"created_at": "2022-09-04T14:38:36.125486Z",
"updated_at": "2022-09-04T14:38:36.125513Z",
"structure_string": "Ba1 Y1 O1\n1.0\n3.825665 0.000000 -0.000000\n0.000000 3.825665 -0.000000\n-0.000000 -0.000000 8.100766\nBa Y O\n1 1 1\ndirect\n0.000000 0.000000 0.537265 Ba\n0.000000 0.000000 0.062680 Y\n0.000000 0.000000 0.825290 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"O"
],
"chemical_system": "Ba-O-Y",
"density": 3.392665933445979,
"density_atomic": 0.025303540478110204,
"volume": 118.56048376294474,
"volume_molar": 23.799597393138257,
"formula_full": "Ba1 Y1 O1",
"formula_reduced": "BaYO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1135183066666663,
"spacegroup": 99
},
{
"id": "jvasp-117611",
"created_at": "2022-09-04T14:38:51.860920Z",
"updated_at": "2022-09-04T14:38:51.860941Z",
"structure_string": "Ba1 Y1 O1\n1.0\n4.883895 -0.000000 0.000000\n-2.441947 4.229577 -0.000000\n0.000000 -0.000000 3.443086\nBa Y O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333334 0.000000 Y\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"O"
],
"chemical_system": "Ba-O-Y",
"density": 5.655486057435519,
"density_atomic": 0.04218034524618077,
"volume": 71.12317318625162,
"volume_molar": 14.277125340848832,
"formula_full": "Ba1 Y1 O1",
"formula_reduced": "BaYO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4271316399999998,
"spacegroup": 187
},
{
"id": "jvasp-66060",
"created_at": "2022-09-04T14:35:56.930806Z",
"updated_at": "2022-09-04T14:35:56.930834Z",
"structure_string": "Ba1 Y1 Pb1\n1.0\n-0.000000 3.931776 3.931776\n3.931776 -0.000000 3.931776\n3.931776 3.931776 -0.000000\nBa Y Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Pb"
],
"chemical_system": "Ba-Pb-Y",
"density": 5.920721365034762,
"density_atomic": 0.02467885219588254,
"volume": 121.56156924107373,
"volume_molar": 24.402029365874416,
"formula_full": "Ba1 Y1 Pb1",
"formula_reduced": "BaYPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9834707466666666,
"spacegroup": 216
},
{
"id": "jvasp-69219",
"created_at": "2022-09-04T14:36:04.222876Z",
"updated_at": "2022-09-04T14:36:04.222892Z",
"structure_string": "Ba1 Y1 Pd2\n1.0\n-2.139574 2.139574 5.459331\n2.139574 -2.139574 5.459331\n2.139574 2.139574 -5.459331\nBa Y Pd\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ba\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Pd\n0.749999 0.250000 0.499999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Pd"
],
"chemical_system": "Ba-Pd-Y",
"density": 7.293426986381295,
"density_atomic": 0.04001344555915884,
"volume": 99.96639739724749,
"volume_molar": 15.050292909908052,
"formula_full": "Ba1 Y1 Pd2",
"formula_reduced": "BaYPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.394935705,
"spacegroup": 119
},
{
"id": "jvasp-69068",
"created_at": "2022-09-04T14:35:46.862545Z",
"updated_at": "2022-09-04T14:35:46.862572Z",
"structure_string": "Ba1 Y1 Pd2\n1.0\n4.303460 0.000000 -0.000000\n0.000000 4.303460 -0.000000\n0.000000 0.000000 6.105982\nBa Y Pd\n1 1 2\ndirect\n0.500000 0.500000 0.874944 Ba\n0.000000 0.000000 0.375003 Y\n0.000000 0.000000 0.875120 Pd\n0.500000 0.500000 0.374933 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Pd"
],
"chemical_system": "Ba-Pd-Y",
"density": 6.447548533326603,
"density_atomic": 0.03537275860991405,
"volume": 113.08136987876614,
"volume_molar": 17.024798168588845,
"formula_full": "Ba1 Y1 Pd2",
"formula_reduced": "BaYPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.363728205,
"spacegroup": 123
}
]
}