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=-volume_molar&page=1283",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1281",
"results": [
{
"id": "jvasp-96905",
"created_at": "2022-09-04T14:36:33.532609Z",
"updated_at": "2022-09-04T14:36:33.532641Z",
"structure_string": "Tb3 In3 Au3\n1.0\n7.803834 -0.000000 0.000000\n-3.901917 6.758319 0.000000\n0.000000 0.000000 3.934086\nTb In Au\n3 3 3\ndirect\n0.597715 0.000000 0.500001 Tb\n0.402284 0.402285 0.500001 Tb\n-0.000000 0.597716 0.500001 Tb\n0.736395 0.736396 0.000000 In\n-0.000000 0.263605 0.000000 In\n0.263604 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Au\n0.666666 0.333333 0.000000 Au\n0.000000 0.000000 0.500001 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"In",
"Au"
],
"chemical_system": "Au-In-Tb",
"density": 11.301423327560688,
"density_atomic": 0.04337624469547519,
"volume": 207.48684131567614,
"volume_molar": 13.883499602786504,
"formula_full": "Tb3 In3 Au3",
"formula_reduced": "TbInAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1467919800000001,
"spacegroup": 189
},
{
"id": "jvasp-104833",
"created_at": "2022-09-04T14:36:43.847964Z",
"updated_at": "2022-09-04T14:36:43.847981Z",
"structure_string": "Cr1 Cu3 Hg1 Se4\n1.0\n5.919983 0.000000 0.000000\n0.000000 5.919983 0.000000\n-0.000000 -0.000000 5.919983\nCr Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226074 0.226074 0.226074 Se\n0.773926 0.773926 0.226074 Se\n0.226074 0.773926 0.773926 Se\n0.773926 0.226074 0.773926 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cr",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Cr-Cu-Hg-Se",
"density": 6.075278208494171,
"density_atomic": 0.04337915926510071,
"volume": 207.47290063873268,
"volume_molar": 13.882566794799358,
"formula_full": "Cr1 Cu3 Hg1 Se4",
"formula_reduced": "CrCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.9598485351851856,
"spacegroup": 215
},
{
"id": "jvasp-106675",
"created_at": "2022-09-04T14:36:51.539697Z",
"updated_at": "2022-09-04T14:36:51.539727Z",
"structure_string": "Ta1 In1 Se2\n1.0\n3.487373 -0.000000 0.000000\n-1.743687 3.020154 0.000000\n0.000000 0.000000 8.754761\nTa In Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 In\n0.666666 0.333333 0.192165 Se\n0.666666 0.333333 0.807835 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"In",
"Se"
],
"chemical_system": "In-Se-Ta",
"density": 8.170197905435737,
"density_atomic": 0.04337986612287283,
"volume": 92.2086755332545,
"volume_molar": 13.882340583860667,
"formula_full": "Ta1 In1 Se2",
"formula_reduced": "TaInSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.080168975833333,
"spacegroup": 187
},
{
"id": "jvasp-120492",
"created_at": "2022-09-04T14:38:39.416058Z",
"updated_at": "2022-09-04T14:38:39.416085Z",
"structure_string": "Yb4 Cd1 S7\n1.0\n6.565555 -0.050928 4.075577\n5.324056 3.842335 4.075577\n1.057169 0.337114 11.573440\nYb Cd S\n4 1 7\ndirect\n0.312006 0.312004 0.813863 Yb\n0.695771 0.695770 0.182309 Yb\n0.005702 0.005702 -0.004588 Yb\n0.915620 0.915619 0.414260 Yb\n0.075446 0.075445 0.595062 Cd\n0.302311 0.302311 0.366797 S\n0.682270 0.682269 0.641335 S\n0.666770 0.666768 0.835137 S\n0.341952 0.341952 0.157049 S\n0.895846 0.895844 0.873630 S\n0.107160 0.107160 0.126007 S\n0.499154 0.499153 0.499140 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"S"
],
"chemical_system": "Cd-S-Yb",
"density": 6.17716271088702,
"density_atomic": 0.04338052879741455,
"volume": 276.6218009014955,
"volume_molar": 13.882128519279172,
"formula_full": "Yb4 Cd1 S7",
"formula_reduced": "Yb4CdS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.7010193791666671,
"spacegroup": 8
},
{
"id": "jvasp-20362",
"created_at": "2022-09-04T14:37:50.944774Z",
"updated_at": "2022-09-04T14:37:50.944802Z",
"structure_string": "Er12 S18\n1.0\n0.000000 10.080536 0.001496\n3.967310 0.000000 0.000000\n0.000000 -2.623921 -17.291721\nEr S\n12 18\ndirect\n0.875778 0.750000 0.570022 Er\n0.812207 0.750000 0.279197 Er\n0.187794 0.250000 0.720803 Er\n0.829945 0.250000 0.781394 Er\n0.486498 0.250000 0.398947 Er\n0.513502 0.750000 0.601052 Er\n0.170056 0.750000 0.218606 Er\n0.811102 0.750000 0.979314 Er\n0.549199 0.250000 0.115020 Er\n0.450802 0.750000 0.884980 Er\n0.124222 0.250000 0.429978 Er\n0.188898 0.250000 0.020686 Er\n0.636631 0.250000 0.282067 S\n0.053492 0.250000 0.575387 S\n0.946509 0.750000 0.424613 S\n0.952316 0.250000 0.923680 S\n0.047684 0.750000 0.076320 S\n0.732737 0.750000 0.126901 S\n0.267264 0.250000 0.873099 S\n0.363369 0.750000 0.717933 S\n0.710734 0.250000 0.631341 S\n0.366700 0.250000 0.531519 S\n0.993217 0.750000 0.732406 S\n0.006783 0.250000 0.267594 S\n0.289266 0.750000 0.368658 S\n0.320051 0.250000 0.182314 S\n0.615119 0.250000 0.967197 S\n0.384881 0.750000 0.032803 S\n0.633300 0.750000 0.468481 S\n0.679950 0.750000 0.817686 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Er",
"S"
],
"chemical_system": "Er-S",
"density": 6.205547819942674,
"density_atomic": 0.04338234796432942,
"volume": 691.5255030609943,
"volume_molar": 13.881546395210396,
"formula_full": "Er12 S18",
"formula_reduced": "Er2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3462059999999998,
"spacegroup": 11
},
{
"id": "jvasp-12034",
"created_at": "2022-09-04T14:37:30.914747Z",
"updated_at": "2022-09-04T14:37:30.914779Z",
"structure_string": "Nb4 Co4 Te8\n1.0\n6.362994 0.000000 0.000000\n0.000000 6.969254 -3.589162\n0.000000 0.096384 8.267144\nNb Co Te\n4 4 8\ndirect\n0.516165 0.805436 0.513700 Nb\n0.483835 0.194563 0.486299 Nb\n0.016165 0.694563 0.486299 Nb\n0.983834 0.305436 0.513700 Nb\n0.145601 0.058748 0.611727 Co\n0.645601 0.441251 0.388273 Co\n0.354399 0.558748 0.611727 Co\n0.854399 0.941251 0.388273 Co\n0.744540 0.636127 0.727500 Te\n0.251016 0.408361 0.817345 Te\n0.751016 0.091638 0.182654 Te\n0.244540 0.863872 0.272499 Te\n0.248983 0.908361 0.817345 Te\n0.748983 0.591638 0.182654 Te\n0.755459 0.136127 0.727500 Te\n0.255459 0.363872 0.272499 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Te"
],
"chemical_system": "Co-Nb-Te",
"density": 7.330652209806296,
"density_atomic": 0.04338272953956828,
"volume": 368.8103577117435,
"volume_molar": 13.881424299287943,
"formula_full": "Nb4 Co4 Te8",
"formula_reduced": "NbCoTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.559233958333333,
"spacegroup": 14
},
{
"id": "jvasp-17434",
"created_at": "2022-09-04T14:38:14.155821Z",
"updated_at": "2022-09-04T14:38:14.155849Z",
"structure_string": "Pr3 Mg3 Pt3\n1.0\n3.797928 -6.578204 0.000000\n3.797928 6.578204 0.000000\n0.000000 0.000000 4.151803\nPr Mg Pt\n3 3 3\ndirect\n0.000000 0.587549 0.000000 Pr\n0.587549 0.000000 0.000000 Pr\n0.412451 0.412451 0.000000 Pr\n0.760298 0.760298 0.500000 Mg\n0.000000 0.239703 0.500000 Mg\n0.239703 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n0.666667 0.333333 0.500000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Pt"
],
"chemical_system": "Mg-Pr-Pt",
"density": 8.651865861712054,
"density_atomic": 0.043383212755828536,
"volume": 207.4535155027413,
"volume_molar": 13.881269683492782,
"formula_full": "Pr3 Mg3 Pt3",
"formula_reduced": "PrMgPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7111834333333333,
"spacegroup": 189
},
{
"id": "jvasp-7845",
"created_at": "2022-09-04T14:37:00.831122Z",
"updated_at": "2022-09-04T14:37:00.831150Z",
"structure_string": "Ba1 C2\n1.0\n3.861481 -0.000000 -2.042165\n-1.080009 3.707374 -2.042165\n0.047130 0.062818 4.760991\nBa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.586839 0.586839 0.173680 C\n0.413160 0.413161 0.826322 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 3.8746159624543797,
"density_atomic": 0.04338465592142228,
"volume": 69.14887156034061,
"volume_molar": 13.880807931051066,
"formula_full": "Ba1 C2",
"formula_reduced": "BaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.470565323333333,
"spacegroup": 139
},
{
"id": "jvasp-41424",
"created_at": "2022-09-04T14:38:05.490991Z",
"updated_at": "2022-09-04T14:38:05.491013Z",
"structure_string": "Lu2 Mg1 Al1\n1.0\n0.000000 3.585598 3.585598\n3.585598 0.000000 3.585598\n3.585598 3.585598 0.000000\nLu Mg Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.750000 0.750000 0.750000 Mg\n0.249999 0.249999 0.249999 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"Al"
],
"chemical_system": "Al-Lu-Mg",
"density": 7.226324629186342,
"density_atomic": 0.04338555973361013,
"volume": 92.19657472578973,
"volume_molar": 13.880518764714104,
"formula_full": "Lu2 Mg1 Al1",
"formula_reduced": "Lu2MgAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8153608375000001,
"spacegroup": 225
},
{
"id": "jvasp-99591",
"created_at": "2022-09-04T14:36:34.652235Z",
"updated_at": "2022-09-04T14:36:34.652257Z",
"structure_string": "K2 Rb1 Bi1 F6\n1.0\n5.960051 -0.000000 3.441037\n1.986684 5.619190 3.441037\n-0.000000 -0.000000 6.882074\nK Rb Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.767729 0.232270 0.232271 F\n0.232270 0.232270 0.767730 F\n0.232270 0.767730 0.767730 F\n0.232270 0.767730 0.232271 F\n0.767729 0.232270 0.767730 F\n0.767729 0.767730 0.232271 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-F-K-Rb",
"density": 3.505981363680398,
"density_atomic": 0.04338673496757155,
"volume": 230.485193400109,
"volume_molar": 13.880142777512797,
"formula_full": "K2 Rb1 Bi1 F6",
"formula_reduced": "K2RbBiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106258",
"created_at": "2022-09-04T14:38:39.797972Z",
"updated_at": "2022-09-04T14:38:39.797997Z",
"structure_string": "Li1 Y2 Ga1\n1.0\n4.391379 -0.000000 2.535364\n1.463793 4.140232 2.535364\n-0.000000 -0.000000 5.070727\nLi Y Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.749999 Y\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 4.583524818499438,
"density_atomic": 0.043387453723079956,
"volume": 92.19255007518913,
"volume_molar": 13.879912839403438,
"formula_full": "Li1 Y2 Ga1",
"formula_reduced": "LiY2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4274458062500002,
"spacegroup": 225
},
{
"id": "jvasp-104740",
"created_at": "2022-09-04T14:38:42.546178Z",
"updated_at": "2022-09-04T14:38:42.546195Z",
"structure_string": "Ge4 Se2 S2\n1.0\n3.791577 -0.000000 0.000000\n0.000000 4.457095 0.000000\n-0.000000 -0.000000 10.910402\nGe Se S\n4 2 2\ndirect\n-0.000000 0.142544 0.627793 Ge\n-0.000000 0.857455 0.127793 Ge\n0.500000 0.396603 0.378631 Ge\n0.500000 0.603396 0.878630 Ge\n0.500000 0.251223 0.145274 Se\n0.500000 0.748776 0.645274 Se\n-0.000000 0.246225 0.848301 S\n-0.000000 0.753774 0.348301 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ge",
"Se",
"S"
],
"chemical_system": "Ge-S-Se",
"density": 4.616614889076917,
"density_atomic": 0.04338878243708196,
"volume": 184.37945364336494,
"volume_molar": 13.87948778865298,
"formula_full": "Ge4 Se2 S2",
"formula_reduced": "Ge2SeS",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1399238166666668,
"spacegroup": 26
}
]
}