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=261",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=259",
"results": [
{
"id": "jvasp-60687",
"created_at": "2022-09-04T14:37:03.959580Z",
"updated_at": "2022-09-04T14:37:03.959607Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.833144 -0.977672 -0.827215\n-3.228962 5.703053 0.933293\n-1.774831 -0.588327 9.179899\nBa Sb F\n1 2 12\ndirect\n0.276616 0.087368 0.865214 Ba\n0.088268 0.489691 0.584407 Sb\n0.464792 0.684978 0.145996 Sb\n0.368362 0.916936 0.161199 F\n0.507735 0.628371 0.772692 F\n0.045452 0.546453 0.957670 F\n0.116680 0.400269 0.245785 F\n0.531239 0.463510 0.081440 F\n0.184687 0.257705 0.569236 F\n0.890270 0.847514 0.315785 F\n0.021859 0.711204 0.648941 F\n0.662646 0.327015 0.414669 F\n-0.207056 0.215213 0.717170 F\n0.436186 0.774249 0.484500 F\n0.760258 0.959518 0.013290 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.629446957721637,
"density_atomic": 0.06868735167380262,
"volume": 218.38081734807963,
"volume_molar": 8.767466809026569,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-41803",
"created_at": "2022-09-04T14:37:28.148335Z",
"updated_at": "2022-09-04T14:37:28.148359Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.895663 -0.952938 -0.378070\n-3.343123 5.694543 0.551735\n-2.589657 -0.453898 8.993152\nBa Sb F\n1 2 12\ndirect\n0.276475 0.087315 0.865202 Ba\n0.088398 0.489968 0.584460 Sb\n0.464670 0.684702 0.145939 Sb\n0.045031 0.546155 0.957627 F\n0.507973 0.628378 0.772800 F\n0.792890 0.215355 0.717199 F\n0.022271 0.711298 0.648975 F\n0.184673 0.258175 0.569306 F\n0.436554 0.774513 0.484548 F\n0.662640 0.327348 0.414663 F\n0.890484 0.847426 0.315709 F\n0.116619 0.400162 0.245881 F\n0.368303 0.916450 0.161069 F\n0.760060 0.959302 0.013166 F\n0.530947 0.463438 0.081462 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.626828581653299,
"density_atomic": 0.0686485026882839,
"volume": 218.50440159068492,
"volume_molar": 8.77242842039115,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 2.666666666678585e-06,
"spacegroup": 2
},
{
"id": "jvasp-15712",
"created_at": "2022-09-04T14:36:59.104554Z",
"updated_at": "2022-09-04T14:36:59.104584Z",
"structure_string": "Ba1 Sb2 Pd2\n1.0\n4.433321 0.000000 -1.780833\n-0.715348 4.375227 -1.780833\n0.047436 0.055822 6.526806\nBa Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.635855 0.635856 0.271712 Sb\n0.364145 0.364144 0.728290 Sb\n0.750000 0.250000 0.500001 Pd\n0.250000 0.750000 0.500001 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pd"
],
"chemical_system": "Ba-Pd-Sb",
"density": 7.733265666498607,
"density_atomic": 0.03922168953861522,
"volume": 127.48048487501573,
"volume_molar": 15.354108481407915,
"formula_full": "Ba1 Sb2 Pd2",
"formula_reduced": "Ba(SbPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1873539140000002,
"spacegroup": 139
},
{
"id": "jvasp-92692",
"created_at": "2022-09-04T14:35:56.984268Z",
"updated_at": "2022-09-04T14:35:56.984296Z",
"structure_string": "Ba1 Sb2 Ru2\n1.0\n4.495790 -0.000000 -0.000000\n-0.000000 4.495790 -0.000000\n-2.247894 -2.247894 6.143240\nBa Sb Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.642922 0.642922 0.285843 Sb\n0.357079 0.357079 0.714157 Sb\n0.250000 0.750001 0.500000 Ru\n0.750001 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Ru"
],
"chemical_system": "Ba-Ru-Sb",
"density": 7.796477891201764,
"density_atomic": 0.04026803968979619,
"volume": 124.1679515198001,
"volume_molar": 14.955137638661842,
"formula_full": "Ba1 Sb2 Ru2",
"formula_reduced": "Ba(SbRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.4672758340000005,
"spacegroup": 139
},
{
"id": "jvasp-9314",
"created_at": "2022-09-04T14:36:32.532588Z",
"updated_at": "2022-09-04T14:36:32.532617Z",
"structure_string": "Ba1 Sb4 O8\n1.0\n3.124490 -5.411777 0.000000\n3.124490 5.411777 0.000000\n-0.000000 0.000000 7.110093\nBa Sb O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.278474 Sb\n0.666667 0.333333 0.278474 Sb\n0.333333 0.666667 0.721526 Sb\n0.666667 0.333333 0.721526 Sb\n0.660971 0.660971 0.268240 O\n-0.000000 0.339029 0.268240 O\n0.339029 -0.000000 0.268240 O\n0.339029 0.339029 0.731760 O\n0.660971 -0.000000 0.731760 O\n-0.000000 0.660971 0.731760 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.195791995981365,
"density_atomic": 0.05406535309905586,
"volume": 240.44973823036068,
"volume_molar": 11.138632071756811,
"formula_full": "Ba1 Sb4 O8",
"formula_reduced": "Ba(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.294659874615385,
"spacegroup": 162
},
{
"id": "jvasp-64119",
"created_at": "2022-09-04T14:36:09.341065Z",
"updated_at": "2022-09-04T14:36:09.341099Z",
"structure_string": "Ba1 Sc1 Br1\n1.0\n0.000000 4.109971 4.109971\n4.109971 0.000000 4.109971\n4.109971 4.109971 0.000000\nBa Sc Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Br"
],
"chemical_system": "Ba-Br-Sc",
"density": 3.1355507749095857,
"density_atomic": 0.021606030586101187,
"volume": 138.850122795339,
"volume_molar": 27.872499467227204,
"formula_full": "Ba1 Sc1 Br1",
"formula_reduced": "BaScBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7147217749999999,
"spacegroup": 216
},
{
"id": "jvasp-66035",
"created_at": "2022-09-04T14:35:47.475234Z",
"updated_at": "2022-09-04T14:35:47.475252Z",
"structure_string": "Ba1 Sc1 Cl1\n1.0\n-0.000000 4.036821 4.036821\n4.036821 0.000000 4.036821\n4.036821 4.036821 0.000000\nBa Sc Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Cl"
],
"chemical_system": "Ba-Cl-Sc",
"density": 2.748088339025994,
"density_atomic": 0.02280199162219264,
"volume": 131.5674547077796,
"volume_molar": 26.410591056172446,
"formula_full": "Ba1 Sc1 Cl1",
"formula_reduced": "BaScCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7493884291666666,
"spacegroup": 216
},
{
"id": "jvasp-109916",
"created_at": "2022-09-04T14:38:26.789925Z",
"updated_at": "2022-09-04T14:38:26.789954Z",
"structure_string": "Ba1 Sc1 Cu3 Se4\n1.0\n6.285084 0.000000 0.000000\n0.000000 6.285084 0.000000\n-0.000000 -0.000000 6.285084\nBa Sc Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.226025 0.226025 0.226025 Se\n0.773974 0.773974 0.226025 Se\n0.226025 0.773974 0.773974 Se\n0.773974 0.226025 0.773974 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Cu",
"Se"
],
"chemical_system": "Ba-Cu-Sc-Se",
"density": 4.6066405981120075,
"density_atomic": 0.03625010344654007,
"volume": 248.2751535667415,
"volume_molar": 16.612754688772593,
"formula_full": "Ba1 Sc1 Cu3 Se4",
"formula_reduced": "BaScCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7802073374074072,
"spacegroup": 215
},
{
"id": "jvasp-65558",
"created_at": "2022-09-04T14:36:17.046439Z",
"updated_at": "2022-09-04T14:36:17.046454Z",
"structure_string": "Ba1 Sc1 Ge2\n1.0\n4.948990 0.000000 0.000000\n0.000000 4.948990 0.000000\n0.000000 -0.000000 4.235958\nBa Sc Ge\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ge"
],
"chemical_system": "Ba-Ge-Sc",
"density": 5.242748477950064,
"density_atomic": 0.038554510486708396,
"volume": 103.74920987205877,
"volume_molar": 15.619808639707989,
"formula_full": "Ba1 Sc1 Ge2",
"formula_reduced": "BaScGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.93419578,
"spacegroup": 123
},
{
"id": "jvasp-51236",
"created_at": "2022-09-04T14:36:58.306088Z",
"updated_at": "2022-09-04T14:36:58.306110Z",
"structure_string": "Ba1 Sc1 Ir1\n1.0\n0.000000 3.402942 3.402942\n3.402942 0.000000 3.402942\n3.402942 3.402942 0.000000\nBa Sc Ir\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ir"
],
"chemical_system": "Ba-Ir-Sc",
"density": 7.890548266440631,
"density_atomic": 0.038065156354830335,
"volume": 78.81223374035375,
"volume_molar": 15.820612173147719,
"formula_full": "Ba1 Sc1 Ir1",
"formula_reduced": "BaScIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.334067439999999,
"spacegroup": 216
},
{
"id": "jvasp-65449",
"created_at": "2022-09-04T14:36:09.227576Z",
"updated_at": "2022-09-04T14:36:09.227591Z",
"structure_string": "Ba1 Sc1 Ni2\n1.0\n3.368704 0.000000 0.000000\n0.000000 3.378252 0.000000\n0.000000 0.000000 7.695480\nBa Sc Ni\n1 1 2\ndirect\n0.499999 0.500000 0.804729 Ba\n0.000000 0.000000 0.384133 Sc\n0.000000 0.000000 0.083821 Ni\n0.499999 0.500000 0.227317 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ni"
],
"chemical_system": "Ba-Ni-Sc",
"density": 5.6820014384185775,
"density_atomic": 0.04567403524918673,
"volume": 87.57710979940674,
"volume_molar": 13.18504206415007,
"formula_full": "Ba1 Sc1 Ni2",
"formula_reduced": "BaScNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.122051505,
"spacegroup": 99
},
{
"id": "jvasp-65362",
"created_at": "2022-09-04T14:35:58.894380Z",
"updated_at": "2022-09-04T14:35:58.894402Z",
"structure_string": "Ba1 Sc1 Ni2\n1.0\n4.970139 0.000000 0.000000\n0.000000 4.970139 0.000000\n0.000000 0.000000 3.340525\nBa Sc Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Ba\n0.500000 0.500000 0.500001 Sc\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ni"
],
"chemical_system": "Ba-Ni-Sc",
"density": 6.03031713007748,
"density_atomic": 0.048473925983304765,
"volume": 82.51858950681377,
"volume_molar": 12.423464033167287,
"formula_full": "Ba1 Sc1 Ni2",
"formula_reduced": "BaScNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.122804005,
"spacegroup": 123
}
]
}