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=4385",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4383",
"results": [
{
"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-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-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-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-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-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-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-78510",
"created_at": "2022-09-04T14:37:12.326326Z",
"updated_at": "2022-09-04T14:37:12.326345Z",
"structure_string": "Ba1 Sb2\n1.0\n-0.133171 0.000000 4.679036\n-2.558899 4.591623 -0.072818\n-2.558899 -4.591623 -0.072818\nBa Sb\n1 2\ndirect\n-0.000000 0.000000 0.500000 Ba\n0.500000 0.339637 0.160363 Sb\n0.500000 0.660363 0.839637 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.7470144365153955,
"density_atomic": 0.027262388753285214,
"volume": 110.04171450817894,
"volume_molar": 22.08955647466626,
"formula_full": "Ba1 Sb2",
"formula_reduced": "BaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.65140939,
"spacegroup": 65
},
{
"id": "jvasp-66291",
"created_at": "2022-09-04T14:35:47.410593Z",
"updated_at": "2022-09-04T14:35:47.410621Z",
"structure_string": "Ba1 Sb1 Te1\n1.0\n-0.000000 4.004124 4.004124\n4.004124 -0.000000 4.004124\n4.004124 4.004124 -0.000000\nBa Sb Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Te"
],
"chemical_system": "Ba-Sb-Te",
"density": 5.000991527385423,
"density_atomic": 0.023365157034932717,
"volume": 128.39631231730084,
"volume_molar": 25.774022194656915,
"formula_full": "Ba1 Sb1 Te1",
"formula_reduced": "BaSbTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5229566122222222,
"spacegroup": 216
},
{
"id": "jvasp-16074",
"created_at": "2022-09-04T14:36:53.796460Z",
"updated_at": "2022-09-04T14:36:53.796480Z",
"structure_string": "Ba1 Sb1 Pt1\n1.0\n2.309796 -4.000684 0.000000\n2.309796 4.000684 -0.000000\n-0.000000 0.000000 4.881664\nBa Sb Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.500000 Sb\n0.333334 0.666668 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pt"
],
"chemical_system": "Ba-Pt-Sb",
"density": 8.35916202910281,
"density_atomic": 0.033251826113270634,
"volume": 90.22060893078938,
"volume_molar": 18.11070688113756,
"formula_full": "Ba1 Sb1 Pt1",
"formula_reduced": "BaSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8521878233333332,
"spacegroup": 187
},
{
"id": "jvasp-66459",
"created_at": "2022-09-04T14:35:55.989544Z",
"updated_at": "2022-09-04T14:35:55.989573Z",
"structure_string": "Ba1 Sb1 Pb1\n1.0\n0.000000 3.969900 3.969900\n3.969900 -0.000000 3.969900\n3.969900 3.969900 0.000000\nBa Sb Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pb"
],
"chemical_system": "Ba-Pb-Sb",
"density": 6.187763519455269,
"density_atomic": 0.023974665549305555,
"volume": 125.132089698198,
"volume_molar": 25.118768591849808,
"formula_full": "Ba1 Sb1 Pb1",
"formula_reduced": "BaSbPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4179942966666667,
"spacegroup": 216
}
]
}