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=3479",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3477",
"results": [
{
"id": "jvasp-79742",
"created_at": "2022-09-04T14:37:10.474752Z",
"updated_at": "2022-09-04T14:37:10.474775Z",
"structure_string": "Sc1 Tl1 Ag2\n1.0\n-11.375217 2.833281 -2.025828\n-8.123712 0.697981 1.058335\n-6.770734 4.503016 -1.216194\nSc Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 -0.000000 -0.000000 Tl\n0.750073 -0.000050 -0.000074 Ag\n0.249928 0.000048 0.000073 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Ag"
],
"chemical_system": "Ag-Sc-Tl",
"density": 9.640769522659747,
"density_atomic": 0.04993430712960165,
"volume": 80.10524687201982,
"volume_molar": 12.060126806946327,
"formula_full": "Sc1 Tl1 Ag2",
"formula_reduced": "ScTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3141855925,
"spacegroup": 139
},
{
"id": "jvasp-78586",
"created_at": "2022-09-04T14:37:10.088335Z",
"updated_at": "2022-09-04T14:37:10.088360Z",
"structure_string": "Sc1 Tl1 Cd1\n1.0\n4.189256 0.000000 2.418667\n1.396418 3.949668 2.418667\n0.000000 0.000000 4.837336\nSc Tl Cd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.500001 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Cd"
],
"chemical_system": "Cd-Sc-Tl",
"density": 7.505059603287151,
"density_atomic": 0.0374815470948257,
"volume": 80.03938557846102,
"volume_molar": 16.06694820991354,
"formula_full": "Sc1 Tl1 Cd1",
"formula_reduced": "ScTlCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0404525333333331,
"spacegroup": 216
},
{
"id": "jvasp-99936",
"created_at": "2022-09-04T14:36:39.865066Z",
"updated_at": "2022-09-04T14:36:39.865076Z",
"structure_string": "Sc1 Tl1 F6\n1.0\n4.790488 0.119917 3.317838\n1.801383 4.440515 3.317838\n0.173334 0.119917 5.824669\nSc Tl F\n1 1 6\ndirect\n0.499999 0.500001 0.500000 Sc\n0.000000 0.000000 0.000000 Tl\n0.589623 0.888428 0.261454 F\n0.261452 0.589625 0.888427 F\n0.888426 0.261455 0.589624 F\n0.738546 0.410377 0.111573 F\n0.111572 0.738548 0.410377 F\n0.410376 0.111574 0.738547 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"F"
],
"chemical_system": "F-Sc-Tl",
"density": 5.071156717677324,
"density_atomic": 0.0672430035052448,
"volume": 118.97148525461118,
"volume_molar": 8.955787882869162,
"formula_full": "Sc1 Tl1 F6",
"formula_reduced": "ScTlF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-50070",
"created_at": "2022-09-04T14:37:01.689075Z",
"updated_at": "2022-09-04T14:37:01.689089Z",
"structure_string": "Sc1 Tl1 O2\n1.0\n3.256632 -0.000000 -0.000000\n-1.628316 0.940109 6.441309\n1.628316 -2.820327 0.000000\nSc Tl O\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Tl\n0.221400 0.664201 0.221401 O\n0.778599 0.335799 0.778600 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"O"
],
"chemical_system": "O-Sc-Tl",
"density": 7.896510682842216,
"density_atomic": 0.06761105408159797,
"volume": 59.16192336200685,
"volume_molar": 8.907035752958443,
"formula_full": "Sc1 Tl1 O2",
"formula_reduced": "ScTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0544387124999997,
"spacegroup": 166
},
{
"id": "jvasp-49791",
"created_at": "2022-09-04T14:36:10.689657Z",
"updated_at": "2022-09-04T14:36:10.689680Z",
"structure_string": "Sc2 Tl2 O4\n1.0\n3.254952 -0.000000 -0.000003\n-1.627477 2.818879 -0.000012\n-0.000009 -0.000060 12.865914\nSc Tl O\n2 2 4\ndirect\n0.333250 0.666729 0.250000 Sc\n0.333257 0.666766 0.750000 Sc\n0.000253 0.999799 0.000001 Tl\n0.666901 0.333066 0.500001 Tl\n0.999931 0.000060 0.332263 O\n0.999917 0.000076 0.667735 O\n0.666597 0.333423 0.832262 O\n0.666588 0.333383 0.167735 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"O"
],
"chemical_system": "O-Sc-Tl",
"density": 7.914907443009034,
"density_atomic": 0.06776856977384765,
"volume": 118.04882450222895,
"volume_molar": 8.886332971311996,
"formula_full": "Sc2 Tl2 O4",
"formula_reduced": "ScTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0533512124999995,
"spacegroup": 194
},
{
"id": "jvasp-52481",
"created_at": "2022-09-04T14:36:35.268654Z",
"updated_at": "2022-09-04T14:36:35.268683Z",
"structure_string": "Sc4 Tl4 O12\n1.0\n0.000000 5.529094 0.006330\n5.667863 0.000000 0.000000\n0.000000 -5.520431 -8.124312\nSc Tl O\n4 4 12\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.734950 0.950164 0.749999 Tl\n0.265049 0.450165 0.750000 Tl\n0.734950 0.549835 0.250000 Tl\n0.265049 0.049835 0.250000 Tl\n0.249103 0.811361 0.064478 O\n0.750896 0.311362 0.435522 O\n0.379860 0.311357 0.064489 O\n0.132942 0.066770 0.750003 O\n0.867057 0.933229 0.249997 O\n0.379860 0.188643 0.564489 O\n0.249103 0.688638 0.564478 O\n0.750896 0.188638 0.935521 O\n0.620139 0.811356 0.435511 O\n0.132942 0.433229 0.250003 O\n0.620139 0.688643 0.935511 O\n0.867057 0.566770 0.749997 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"O"
],
"chemical_system": "O-Sc-Tl",
"density": 7.763127403572157,
"density_atomic": 0.07861547873141655,
"volume": 254.40282655185993,
"volume_molar": 7.66024815618583,
"formula_full": "Sc4 Tl4 O12",
"formula_reduced": "ScTlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5094956699999995,
"spacegroup": 62
},
{
"id": "jvasp-40591",
"created_at": "2022-09-04T14:37:56.291006Z",
"updated_at": "2022-09-04T14:37:56.291026Z",
"structure_string": "Sc1 Tl1 Rh2\n1.0\n-0.000000 3.246602 3.246602\n3.246602 0.000000 3.246602\n3.246602 3.246602 0.000000\nSc Tl Rh\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Sc\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Rh"
],
"chemical_system": "Rh-Sc-Tl",
"density": 11.042990424664392,
"density_atomic": 0.058444391340099364,
"volume": 68.44112682640865,
"volume_molar": 10.304052488041124,
"formula_full": "Sc1 Tl1 Rh2",
"formula_reduced": "ScTlRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7888634624999995,
"spacegroup": 225
},
{
"id": "jvasp-3237",
"created_at": "2022-09-04T14:36:53.630260Z",
"updated_at": "2022-09-04T14:36:53.630293Z",
"structure_string": "Sc2 Tl2 S4\n1.0\n1.891930 -3.276919 0.000000\n1.891930 3.276919 0.000000\n0.000000 0.000000 14.951613\nSc Tl S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.666667 0.333333 0.250000 Tl\n0.333333 0.666667 0.750000 Tl\n0.333333 0.666667 0.094706 S\n0.666667 0.333333 0.594706 S\n0.333333 0.666667 0.405294 S\n0.666667 0.333333 0.905294 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"S"
],
"chemical_system": "S-Sc-Tl",
"density": 5.615457852048412,
"density_atomic": 0.04315202429330669,
"volume": 185.39107101033218,
"volume_molar": 13.955639065892196,
"formula_full": "Sc2 Tl2 S4",
"formula_reduced": "ScTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0577044625,
"spacegroup": 194
},
{
"id": "jvasp-1777",
"created_at": "2022-09-04T14:36:37.228697Z",
"updated_at": "2022-09-04T14:36:37.228718Z",
"structure_string": "Sc1 Tl1 Se2\n1.0\n3.818980 -0.010222 7.063302\n1.779289 3.379179 7.063302\n-0.016985 -0.010222 8.029605\nSc Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500001 0.500000 Tl\n0.731631 0.731633 0.731631 Se\n0.268368 0.268369 0.268368 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Se"
],
"chemical_system": "Sc-Se-Tl",
"density": 6.482515834685705,
"density_atomic": 0.03834277698194547,
"volume": 104.32212570006305,
"volume_molar": 15.70606313370483,
"formula_full": "Sc1 Tl1 Se2",
"formula_reduced": "ScTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8529711458333334,
"spacegroup": 166
},
{
"id": "jvasp-7781",
"created_at": "2022-09-04T14:37:03.816852Z",
"updated_at": "2022-09-04T14:37:03.816871Z",
"structure_string": "Sc1 Tl1 Te2\n1.0\n4.108155 -0.001509 7.384829\n1.914665 3.634693 7.384829\n-0.002502 -0.001509 8.450599\nSc Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500002 0.499999 0.499999 Tl\n0.734492 0.734488 0.734488 Te\n0.265511 0.265510 0.265510 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Te"
],
"chemical_system": "Sc-Te-Tl",
"density": 6.633500342020041,
"density_atomic": 0.031670777497435,
"volume": 126.29939382839459,
"volume_molar": 19.014818188431686,
"formula_full": "Sc1 Tl1 Te2",
"formula_reduced": "ScTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7038458458333335,
"spacegroup": 166
},
{
"id": "jvasp-123527",
"created_at": "2022-09-04T14:38:54.514166Z",
"updated_at": "2022-09-04T14:38:54.514201Z",
"structure_string": "Sc1 U3\n1.0\n2.866171 0.000000 0.000000\n0.000000 5.708824 0.000000\n0.000000 0.000000 5.072137\nSc U\n1 3\ndirect\n0.000000 0.107378 0.750000 Sc\n0.500000 0.396040 0.250000 U\n0.500000 0.607494 0.750000 U\n0.000000 0.889086 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"U"
],
"chemical_system": "Sc-U",
"density": 15.187124214817452,
"density_atomic": 0.04819702858951708,
"volume": 82.9926681594227,
"volume_molar": 12.49483824260034,
"formula_full": "Sc1 U3",
"formula_reduced": "ScU3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.1541383125,
"spacegroup": 25
},
{
"id": "jvasp-21869",
"created_at": "2022-09-04T14:37:29.090171Z",
"updated_at": "2022-09-04T14:37:29.090198Z",
"structure_string": "Sc2 U6 Sb10\n1.0\n4.561599 -7.900921 0.000000\n4.561599 7.900921 -0.000000\n0.000000 0.000000 6.175020\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387679 0.000000 0.250000 U\n0.000000 0.612321 0.750000 U\n0.387679 0.387679 0.750000 U\n0.612321 0.612321 0.250000 U\n0.000000 0.387679 0.250000 U\n0.612321 0.000000 0.750000 U\n0.000000 0.729841 0.250000 Sb\n0.270159 0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.729841 0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.270159 0.270159 0.250000 Sb\n0.000000 0.270159 0.750000 Sb\n0.729841 0.729841 0.750000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"U",
"Sb"
],
"chemical_system": "Sb-Sc-U",
"density": 10.205917264663526,
"density_atomic": 0.04043982958133421,
"volume": 445.10573329191897,
"volume_molar": 14.891607660927523,
"formula_full": "Sc2 U6 Sb10",
"formula_reduced": "ScU3Sb5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.717969305555556,
"spacegroup": 193
}
]
}