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=326",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=324",
"results": [
{
"id": "jvasp-4864",
"created_at": "2022-09-04T14:37:04.161022Z",
"updated_at": "2022-09-04T14:37:04.161038Z",
"structure_string": "Ba4 B4 O4 F12\n1.0\n5.129331 -0.000000 0.000000\n0.000000 6.863170 0.000000\n0.000000 0.000000 9.248921\nBa B O F\n4 4 4 12\ndirect\n0.250000 0.327883 0.691187 Ba\n0.750000 0.672117 0.308813 Ba\n0.750000 0.827883 0.808813 Ba\n0.250000 0.172117 0.191187 Ba\n0.250000 0.824745 0.578244 B\n0.750000 0.175255 0.421756 B\n0.750000 0.324745 0.921755 B\n0.250000 0.675255 0.078244 B\n0.250000 0.936306 0.697799 O\n0.250000 0.563694 0.197799 O\n0.750000 0.436306 0.802200 O\n0.750000 0.063694 0.302200 O\n0.975300 0.316256 0.429983 F\n0.250000 0.585627 0.935554 F\n0.750000 0.414373 0.064446 F\n0.750000 0.085627 0.564446 F\n0.250000 0.914373 0.435554 F\n0.524700 0.316256 0.429983 F\n0.975300 0.183744 0.929983 F\n0.475300 0.816255 0.070017 F\n0.024700 0.683744 0.570017 F\n0.024700 0.816255 0.070017 F\n0.524700 0.183744 0.929983 F\n0.475300 0.683744 0.570017 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-O",
"density": 4.511129849840944,
"density_atomic": 0.07371140511815688,
"volume": 325.5941188684277,
"volume_molar": 8.169890060224347,
"formula_full": "Ba4 B4 O4 F12",
"formula_reduced": "BaBOF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.5879671501388889,
"spacegroup": 62
},
{
"id": "jvasp-117464",
"created_at": "2022-09-04T14:38:51.109484Z",
"updated_at": "2022-09-04T14:38:51.109510Z",
"structure_string": "Ba1 B1 P1\n1.0\n7.515934 0.000000 0.000000\n-0.000000 7.515934 -0.000000\n0.000000 0.000000 7.625147\nBa B P\n1 1 1\ndirect\n0.000000 0.000000 0.630843 Ba\n0.000000 0.000000 0.250760 B\n0.000000 0.000000 0.023242 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 0.6904926620479781,
"density_atomic": 0.006964775444569131,
"volume": 430.7389411010066,
"volume_molar": 86.46568447078704,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.468578017777778,
"spacegroup": 99
},
{
"id": "jvasp-117463",
"created_at": "2022-09-04T14:38:34.919379Z",
"updated_at": "2022-09-04T14:38:34.919407Z",
"structure_string": "Ba1 B1 P1\n1.0\n4.828432 -0.180116 0.000000\n-1.053564 5.264021 0.000000\n0.000000 0.000000 5.352585\nBa B P\n1 1 1\ndirect\n-0.239316 -0.208300 0.000000 Ba\n0.358835 0.158205 0.000000 B\n0.152508 0.385631 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 2.2026247598360897,
"density_atomic": 0.02221716128800865,
"volume": 135.0307521789114,
"volume_molar": 27.105806551669374,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.201838017777778,
"spacegroup": 6
},
{
"id": "jvasp-117462",
"created_at": "2022-09-04T14:38:51.164104Z",
"updated_at": "2022-09-04T14:38:51.164125Z",
"structure_string": "Ba1 B2 P2\n1.0\n-1.979975 1.979975 5.292578\n1.979975 -1.979975 5.292578\n1.979975 1.979975 -5.292578\nBa B P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749998 0.250000 0.499998 B\n0.250000 0.749998 0.499998 B\n0.680220 0.680220 0.000000 P\n0.319780 0.319780 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 4.419684898605862,
"density_atomic": 0.06024532233800278,
"volume": 82.99399531714344,
"volume_molar": 9.996030440692374,
"formula_full": "Ba1 B2 P2",
"formula_reduced": "Ba(BP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.110562427333334,
"spacegroup": 139
},
{
"id": "jvasp-21118",
"created_at": "2022-09-04T14:38:35.262275Z",
"updated_at": "2022-09-04T14:38:35.262302Z",
"structure_string": "Ba3 B3 P3 O15\n1.0\n3.581776 -6.203818 -0.000000\n3.581776 6.203818 0.000000\n0.000000 0.000000 7.039395\nBa B P O\n3 3 3 15\ndirect\n0.000000 0.394932 0.333333 Ba\n0.605069 0.605069 0.000000 Ba\n0.394932 0.000000 0.666667 Ba\n0.093533 0.093533 0.000000 B\n0.906468 0.000000 0.666667 B\n0.000000 0.906468 0.333333 B\n0.000000 0.390382 0.833332 P\n0.609619 0.609619 0.500000 P\n0.390382 0.000000 0.166667 P\n0.571211 0.142794 0.300183 O\n0.860281 0.182805 0.703718 O\n0.322526 0.139720 0.037051 O\n0.817196 0.677475 0.370385 O\n0.139720 0.322526 0.962948 O\n0.677475 0.817196 0.629615 O\n0.959942 0.000000 0.166667 O\n0.428790 0.571584 0.366484 O\n0.428417 0.857207 0.033151 O\n0.142794 0.571211 0.699816 O\n0.571584 0.428790 0.633516 O\n0.000000 0.959942 0.833332 O\n0.040059 0.040059 0.500000 O\n0.182805 0.860281 0.296282 O\n0.857207 0.428417 0.966849 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"P",
"O"
],
"chemical_system": "B-Ba-O-P",
"density": 4.126004049039999,
"density_atomic": 0.07671643977284115,
"volume": 312.8403777738443,
"volume_molar": 7.8498699598569415,
"formula_full": "Ba3 B3 P3 O15",
"formula_reduced": "BaBPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4501639441666665,
"spacegroup": 154
},
{
"id": "jvasp-12764",
"created_at": "2022-09-04T14:38:11.194538Z",
"updated_at": "2022-09-04T14:38:11.194552Z",
"structure_string": "Ba4 Br8\n1.0\n4.959687 -0.000000 0.000000\n0.000000 8.274817 0.000000\n0.000000 0.000000 9.990619\nBa Br\n4 8\ndirect\n0.250000 0.748109 0.619302 Ba\n0.750000 0.251892 0.380698 Ba\n0.250000 0.248108 0.880698 Ba\n0.750000 0.751892 0.119302 Ba\n0.250000 0.529210 0.329412 Br\n0.750000 0.470790 0.670588 Br\n0.250000 0.029210 0.170588 Br\n0.750000 0.970791 0.829412 Br\n0.750000 0.856260 0.430457 Br\n0.250000 0.143740 0.569543 Br\n0.750000 0.356260 0.069543 Br\n0.250000 0.643740 0.930457 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 4.813465187015887,
"density_atomic": 0.029266863455587676,
"volume": 410.0200220706924,
"volume_molar": 20.576652394400135,
"formula_full": "Ba4 Br8",
"formula_reduced": "BaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-105720",
"created_at": "2022-09-04T14:36:02.186765Z",
"updated_at": "2022-09-04T14:36:02.186793Z",
"structure_string": "Ba2 Br6\n1.0\n6.860426 0.000000 0.000000\n-3.430213 5.941303 -0.000000\n-0.000000 -0.000000 6.059049\nBa Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.171670 0.343338 0.250000 Br\n0.656663 0.828330 0.250000 Br\n0.171670 0.828330 0.250000 Br\n0.828331 0.656662 0.750000 Br\n0.343338 0.171669 0.750000 Br\n0.828331 0.171669 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 5.0702353361121455,
"density_atomic": 0.03239311677672075,
"volume": 246.96604698900677,
"volume_molar": 18.590803723857164,
"formula_full": "Ba2 Br6",
"formula_reduced": "BaBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1607510262499999,
"spacegroup": 194
},
{
"id": "jvasp-36442",
"created_at": "2022-09-04T14:36:46.190099Z",
"updated_at": "2022-09-04T14:36:46.190120Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.823546 -0.000000 0.000000\n-0.000000 8.180288 0.000000\n0.000000 0.000000 9.555886\nBa Br Cl\n4 4 4\ndirect\n0.750001 0.736669 0.122165 Ba\n0.250000 0.263331 0.877836 Ba\n0.750001 0.236669 0.377835 Ba\n0.250000 0.763331 0.622165 Ba\n0.750001 0.970277 0.827945 Br\n0.250000 0.029723 0.172056 Br\n0.750001 0.470277 0.672056 Br\n0.250000 0.529724 0.327945 Br\n0.750001 0.856367 0.432513 Cl\n0.250000 0.143633 0.567488 Cl\n0.750001 0.356367 0.067488 Cl\n0.250000 0.643633 0.932513 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.451238384577168,
"density_atomic": 0.03182550234779681,
"volume": 377.05610641620325,
"volume_molar": 18.92237456046596,
"formula_full": "Ba4 Br4 Cl4",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-117529",
"created_at": "2022-09-04T14:38:35.559544Z",
"updated_at": "2022-09-04T14:38:35.559555Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n7.780118 -0.000000 -0.000000\n0.000000 7.780118 -0.000000\n-0.000000 -0.000000 10.344961\nBa Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.254185 Ba\n0.000000 0.000000 0.539083 Br\n0.000000 0.000000 -0.014172 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 0.6700783944354535,
"density_atomic": 0.0047909322469008135,
"volume": 626.182931712436,
"volume_molar": 125.69872520939194,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.45359,
"spacegroup": 99
},
{
"id": "jvasp-117531",
"created_at": "2022-09-04T14:38:51.634459Z",
"updated_at": "2022-09-04T14:38:51.634482Z",
"structure_string": "Ba2 Br2 Cl2\n1.0\n4.843424 -0.000000 0.000000\n-0.000000 4.843424 0.000000\n-0.000000 0.000000 8.225163\nBa Br Cl\n2 2 2\ndirect\n0.500000 0.000000 0.764320 Ba\n0.000000 0.500000 0.235680 Ba\n0.000000 0.500000 0.638301 Br\n0.500000 0.000000 0.361699 Br\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.349179619039735,
"density_atomic": 0.031095801711344972,
"volume": 192.95209223729273,
"volume_molar": 19.366410989824672,
"formula_full": "Ba2 Br2 Cl2",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0064666666666667,
"spacegroup": 129
},
{
"id": "jvasp-117527",
"created_at": "2022-09-04T14:38:44.529108Z",
"updated_at": "2022-09-04T14:38:44.529143Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n6.238986 0.001208 0.000000\n0.001181 5.922036 0.000000\n0.000000 0.000000 5.909993\nBa Br Cl\n1 1 1\ndirect\n-0.047623 -0.054212 0.000000 Ba\n0.452383 -0.054442 0.000000 Br\n-0.047663 0.445810 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 1.9215639245897633,
"density_atomic": 0.013738814215245039,
"volume": 218.3594561364038,
"volume_molar": 43.83304603768231,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2085833333333333,
"spacegroup": 47
},
{
"id": "jvasp-110652",
"created_at": "2022-09-04T14:38:35.890766Z",
"updated_at": "2022-09-04T14:38:35.890780Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n4.617157 -0.000000 2.665717\n1.539052 4.353097 2.665717\n-0.000000 -0.000000 5.331433\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.9157043884430327,
"density_atomic": 0.027996536792874963,
"volume": 107.15611085023528,
"volume_molar": 21.510306094476007,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155266666666666,
"spacegroup": 216
}
]
}