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=479",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=477",
"results": [
{
"id": "jvasp-101567",
"created_at": "2022-09-04T14:36:40.160910Z",
"updated_at": "2022-09-04T14:36:40.160934Z",
"structure_string": "Ho2 Br4\n1.0\n7.197213 -0.000000 0.000000\n0.000000 7.197213 0.000000\n-0.000000 -0.000000 3.611928\nHo Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.280208 0.280208 -0.000000 Br\n0.719792 0.719792 -0.000000 Br\n0.219792 0.780208 0.500000 Br\n0.780208 0.219792 0.500000 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Br"
],
"chemical_system": "Br-Ho",
"density": 5.764276923392705,
"density_atomic": 0.032068855031602166,
"volume": 187.09741879113915,
"volume_molar": 18.77878319654848,
"formula_full": "Ho2 Br4",
"formula_reduced": "HoBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-107143",
"created_at": "2022-09-04T14:36:54.970859Z",
"updated_at": "2022-09-04T14:36:54.970871Z",
"structure_string": "Rb2 Na1 Nd1 Cl6\n1.0\n6.591686 -0.000000 3.805712\n2.197229 6.214701 3.805712\n-0.000000 -0.000000 7.611423\nRb Na Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748411 0.251589 0.251589 Cl\n0.251589 0.251589 0.748410 Cl\n0.251589 0.748411 0.748410 Cl\n0.251589 0.748411 0.251589 Cl\n0.748411 0.251589 0.748410 Cl\n0.748412 0.748411 0.251588 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Nd",
"Cl"
],
"chemical_system": "Cl-Na-Nd-Rb",
"density": 2.933781241949425,
"density_atomic": 0.032071361102336035,
"volume": 311.804664856323,
"volume_molar": 18.777315813894024,
"formula_full": "Rb2 Na1 Nd1 Cl6",
"formula_reduced": "Rb2NaNdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-14231",
"created_at": "2022-09-04T14:37:07.351690Z",
"updated_at": "2022-09-04T14:37:07.351720Z",
"structure_string": "Rb6 Mo4 Br18\n1.0\n3.730938 -6.462175 -0.000000\n3.730938 6.462175 0.000000\n-0.000000 0.000000 18.103093\nRb Mo Br\n6 4 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.930835 Rb\n0.666667 0.333333 0.430835 Rb\n0.333333 0.666667 0.569165 Rb\n0.666667 0.333333 0.069165 Rb\n0.333333 0.666667 0.328299 Mo\n0.666667 0.333333 0.828299 Mo\n0.333333 0.666667 0.171701 Mo\n0.666667 0.333333 0.671701 Mo\n0.170852 0.341704 0.409828 Br\n-0.009108 0.495446 0.250000 Br\n0.495446 0.504554 0.750000 Br\n0.495446 -0.009108 0.750000 Br\n0.504554 0.009108 0.250000 Br\n0.504554 0.495446 0.250000 Br\n0.009108 0.504554 0.750000 Br\n0.829149 0.658297 0.909828 Br\n0.170852 0.341704 0.090171 Br\n0.658297 0.829149 0.090171 Br\n0.170852 0.829149 0.090171 Br\n0.658297 0.829149 0.409828 Br\n0.341704 0.170852 0.909828 Br\n0.829149 0.658297 0.590171 Br\n0.341704 0.170852 0.590171 Br\n0.829149 0.170852 0.590171 Br\n0.829149 0.170852 0.909828 Br\n0.170852 0.829149 0.409828 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"Br"
],
"chemical_system": "Br-Mo-Rb",
"density": 4.441467352608704,
"density_atomic": 0.03207587455085668,
"volume": 872.9302128802652,
"volume_molar": 18.774673627220434,
"formula_full": "Rb6 Mo4 Br18",
"formula_reduced": "Rb3Mo2Br9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.6592991960714281,
"spacegroup": 194
},
{
"id": "jvasp-32747",
"created_at": "2022-09-04T14:36:30.741305Z",
"updated_at": "2022-09-04T14:36:30.741331Z",
"structure_string": "Si2 Se4\n1.0\n5.665409 0.000000 -2.844430\n-1.298623 4.684534 -2.586538\n-0.138284 0.473749 6.788843\nSi Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 -0.000000 0.000000 Si\n0.142364 0.406131 0.284727 Se\n0.357637 0.121404 0.715273 Se\n0.857637 0.593868 0.715273 Se\n0.642364 0.878595 0.284726 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.3029902282489156,
"density_atomic": 0.032081425694874766,
"volume": 187.0241072533925,
"volume_molar": 18.771424989887777,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8414884444444444,
"spacegroup": 72
},
{
"id": "jvasp-110522",
"created_at": "2022-09-04T14:38:38.925393Z",
"updated_at": "2022-09-04T14:38:38.925405Z",
"structure_string": "Y1 Ho1\n1.0\n3.587821 0.000000 -0.000000\n-1.793912 3.107143 -0.000000\n-0.000000 0.000000 5.592073\nY Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666666 0.500000 Ho\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ho"
],
"chemical_system": "Ho-Y",
"density": 6.761417648489398,
"density_atomic": 0.032082274823499506,
"volume": 62.33971908173567,
"volume_molar": 18.770928162453508,
"formula_full": "Y1 Ho1",
"formula_reduced": "YHo",
"formula_anonymous": "AB",
"energy_above_hull": 1.4379905083333333,
"spacegroup": 187
},
{
"id": "jvasp-65376",
"created_at": "2022-09-04T14:35:52.521309Z",
"updated_at": "2022-09-04T14:35:52.521334Z",
"structure_string": "Ba1 Sr1 Hf2\n1.0\n3.323209 -0.000000 -0.000000\n-0.000000 3.323209 -0.000000\n0.000000 0.000000 11.289118\nBa Sr Hf\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.759712 Hf\n0.000000 0.000000 0.240288 Hf\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Hf"
],
"chemical_system": "Ba-Hf-Sr",
"density": 7.750724177540765,
"density_atomic": 0.03208371634601311,
"volume": 124.67383631189162,
"volume_molar": 18.770084783985265,
"formula_full": "Ba1 Sr1 Hf2",
"formula_reduced": "BaSrHf2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.73627457,
"spacegroup": 123
},
{
"id": "jvasp-16539",
"created_at": "2022-09-04T14:37:49.614983Z",
"updated_at": "2022-09-04T14:37:49.615007Z",
"structure_string": "Tb1\n1.0\n3.237444 0.000000 -1.144609\n-1.618722 2.803709 -1.144609\n-0.000000 -0.000000 3.433828\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.466980035798752,
"density_atomic": 0.032083834080158226,
"volume": 31.16834470286814,
"volume_molar": 18.77001590568723,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy_above_hull": 0.14642,
"spacegroup": 229
},
{
"id": "jvasp-25135",
"created_at": "2022-09-04T14:37:51.850992Z",
"updated_at": "2022-09-04T14:37:51.851009Z",
"structure_string": "Tb1\n1.0\n3.237443 0.000000 -1.144609\n-1.618721 2.803708 -1.144609\n-0.000000 -0.000000 3.433827\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.46698813680913,
"density_atomic": 0.03208386477722752,
"volume": 31.16831488174641,
"volume_molar": 18.769997946987964,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy_above_hull": 0.14642,
"spacegroup": 229
},
{
"id": "jvasp-9172",
"created_at": "2022-09-04T14:37:09.550757Z",
"updated_at": "2022-09-04T14:37:09.550774Z",
"structure_string": "K8 As8\n1.0\n6.479948 0.000000 0.000000\n0.000000 6.649282 0.000000\n0.000000 0.000000 11.573458\nK As\n8 8\ndirect\n0.329841 0.343565 0.714457 K\n0.829842 0.156435 0.285543 K\n0.670159 0.843565 0.785543 K\n0.170159 0.656434 0.214457 K\n0.596986 0.606012 0.417631 K\n0.096985 0.893988 0.582369 K\n0.403015 0.106012 0.082369 K\n0.903015 0.393988 0.917631 K\n0.093154 0.439897 0.467391 As\n0.593155 0.060103 0.532609 As\n0.906846 0.939897 0.032609 As\n0.406846 0.560103 0.967391 As\n0.828509 0.324687 0.616137 As\n0.328509 0.175313 0.383863 As\n0.171491 0.824687 0.883863 As\n0.671492 0.675313 0.116137 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"K",
"As"
],
"chemical_system": "As-K",
"density": 3.0374583216401163,
"density_atomic": 0.032085629915254196,
"volume": 498.6656033327012,
"volume_molar": 18.768965346499076,
"formula_full": "K8 As8",
"formula_reduced": "KAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.3459455833333333,
"spacegroup": 19
},
{
"id": "jvasp-29178",
"created_at": "2022-09-04T14:38:29.717687Z",
"updated_at": "2022-09-04T14:38:29.717709Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.402158 0.000000 0.000000\n-1.701079 2.946236 0.000126\n0.000000 0.001942 37.310887\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333290 0.666581 0.328788 Te\n0.666676 0.333351 0.424612 Te\n0.666473 0.332944 0.525312 Te\n0.333469 0.666939 0.228154 Te\n0.333425 0.666849 0.094632 Mo\n0.333247 0.666494 0.474954 Mo\n0.666706 0.333410 0.278451 Mo\n0.666621 0.333242 0.654848 W\n0.666769 0.333539 0.050503 Se\n0.666725 0.333447 0.138846 Se\n0.333387 0.666776 0.695265 S\n0.333217 0.666434 0.614384 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.346353577653646,
"density_atomic": 0.032086597213031635,
"volume": 373.9879277421891,
"volume_molar": 18.768399528368096,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.635949625,
"spacegroup": 156
},
{
"id": "jvasp-28687",
"created_at": "2022-09-04T14:37:54.035364Z",
"updated_at": "2022-09-04T14:37:54.035389Z",
"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.406218 0.000000 0.000000\n-1.703108 2.949880 0.000053\n0.000000 0.000408 37.220349\nTe Mo Se S\n4 4 2 2\ndirect\n0.333322 0.666645 0.326357 Te\n0.666648 0.333296 0.421883 Te\n0.666632 0.333262 0.522661 Te\n0.333343 0.666689 0.225512 Te\n0.333392 0.666784 0.097201 Mo\n0.333303 0.666606 0.472290 Mo\n0.666669 0.333339 0.275964 Mo\n0.666637 0.333274 0.657503 Mo\n0.333293 0.666587 0.701713 Se\n0.333307 0.666615 0.613214 Se\n0.666733 0.333466 0.056886 S\n0.666721 0.333440 0.137564 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.956073934072968,
"density_atomic": 0.03208662333245742,
"volume": 373.98762330535817,
"volume_molar": 18.76838425035603,
"formula_full": "Te4 Mo4 Se2 S2",
"formula_reduced": "Te2Mo2SeS",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.0844417833333333,
"spacegroup": 156
},
{
"id": "jvasp-12966",
"created_at": "2022-09-04T14:37:09.079041Z",
"updated_at": "2022-09-04T14:37:09.079061Z",
"structure_string": "Tl10 Se4 Br2\n1.0\n7.609811 -0.000000 -4.244614\n-2.367568 7.232140 -4.244614\n0.033902 0.046769 9.004580\nTl Se Br\n10 4 2\ndirect\n0.207106 0.002298 0.709404 Tl\n0.002297 0.502298 0.709404 Tl\n0.707106 0.207106 0.709404 Tl\n-0.002298 0.497703 0.290597 Tl\n0.502297 0.707106 0.709404 Tl\n0.792894 -0.002298 0.290597 Tl\n0.497702 0.292894 0.290597 Tl\n0.292894 0.792894 0.290597 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.657360 0.157360 0.000000 Se\n0.842640 0.657360 0.000001 Se\n0.157360 0.342640 0.000000 Se\n0.342640 0.842640 0.000000 Se\n0.750000 0.750000 0.500001 Br\n0.250000 0.250000 0.500000 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Se",
"Br"
],
"chemical_system": "Br-Se-Tl",
"density": 8.39104909367722,
"density_atomic": 0.03209046865360442,
"volume": 498.5904123965753,
"volume_molar": 18.766135281491408,
"formula_full": "Tl10 Se4 Br2",
"formula_reduced": "Tl5Se2Br",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}