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=-density&page=1238",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1236",
"results": [
{
"id": "jvasp-59764",
"created_at": "2022-09-04T14:38:19.727784Z",
"updated_at": "2022-09-04T14:38:19.727809Z",
"structure_string": "Nb8 Si2 Ni2\n1.0\n6.255058 0.000000 0.000000\n0.000000 6.255058 0.000000\n0.000000 -0.000000 4.992350\nNb Si Ni\n8 2 2\ndirect\n0.336845 0.153986 0.500000 Nb\n0.663156 0.846015 0.500000 Nb\n0.153986 0.663156 0.500000 Nb\n0.846015 0.336845 0.500000 Nb\n0.336845 0.846015 0.000000 Nb\n0.846015 0.663156 0.000000 Nb\n0.153986 0.336845 0.000000 Nb\n0.663156 0.153986 0.000000 Nb\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Ni"
],
"chemical_system": "Nb-Ni-Si",
"density": 7.793996072562818,
"density_atomic": 0.06143467130803067,
"volume": 195.32944092485727,
"volume_molar": 9.802511565179959,
"formula_full": "Nb8 Si2 Ni2",
"formula_reduced": "Nb4SiNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.780478100000001,
"spacegroup": 124
},
{
"id": "jvasp-91767",
"created_at": "2022-09-04T14:35:46.544523Z",
"updated_at": "2022-09-04T14:35:46.544543Z",
"structure_string": "Bi4 Se4\n1.0\n-0.578688 0.000000 4.879719\n5.751474 0.000000 -1.036716\n0.000000 8.934591 0.000000\nBi Se\n4 4\ndirect\n0.257442 0.845314 0.606964 Bi\n0.757443 0.345315 0.893036 Bi\n0.742557 0.154684 0.393036 Bi\n0.242556 0.654685 0.106964 Bi\n0.153097 0.312173 0.638553 Se\n0.653096 0.812172 0.861446 Se\n0.846903 0.687826 0.361447 Se\n0.346903 0.187827 0.138553 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.793764222301682,
"density_atomic": 0.032600597354989054,
"volume": 245.39427645719857,
"volume_molar": 18.472485931545048,
"formula_full": "Bi4 Se4",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6492388333333333,
"spacegroup": 14
},
{
"id": "jvasp-90548",
"created_at": "2022-09-04T14:35:45.973533Z",
"updated_at": "2022-09-04T14:35:45.973549Z",
"structure_string": "Nd2 Ni2 Sb4\n1.0\n4.417764 0.000000 0.000000\n-0.000000 4.417764 -0.000000\n-0.000000 0.000000 9.747813\nNd Ni Sb\n2 2 4\ndirect\n0.749999 0.749999 0.740156 Nd\n0.250000 0.250000 0.259844 Nd\n0.250000 0.749999 0.500000 Ni\n0.749999 0.250000 0.500000 Ni\n0.250000 0.749999 0.000000 Sb\n0.749999 0.250000 0.000000 Sb\n0.749999 0.749999 0.365520 Sb\n0.250000 0.250000 0.634480 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Sb"
],
"chemical_system": "Nd-Ni-Sb",
"density": 7.793722896224107,
"density_atomic": 0.04205114001686722,
"volume": 190.24454501806858,
"volume_molar": 14.320992861512073,
"formula_full": "Nd2 Ni2 Sb4",
"formula_reduced": "NdNiSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2893540250000002,
"spacegroup": 129
},
{
"id": "jvasp-40115",
"created_at": "2022-09-04T14:37:40.727820Z",
"updated_at": "2022-09-04T14:37:40.727844Z",
"structure_string": "Ac2 Zn1 Si1\n1.0\n-0.000000 3.878122 3.878122\n3.878122 0.000000 3.878122\n3.878122 3.878122 0.000000\nAc Zn Si\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Zn",
"Si"
],
"chemical_system": "Ac-Si-Zn",
"density": 7.793534474752304,
"density_atomic": 0.03428985068605463,
"volume": 116.65259311341252,
"volume_molar": 17.562458393699423,
"formula_full": "Ac2 Zn1 Si1",
"formula_reduced": "Ac2ZnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6680672499999999,
"spacegroup": 225
},
{
"id": "jvasp-92763",
"created_at": "2022-09-04T14:35:47.528583Z",
"updated_at": "2022-09-04T14:35:47.528602Z",
"structure_string": "Rb1 Ta1 O3\n1.0\n4.061411 -0.000000 0.000000\n-0.000000 4.061411 -0.000000\n-0.000000 -0.000000 4.061411\nRb Ta O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"O"
],
"chemical_system": "O-Rb-Ta",
"density": 7.793274710603163,
"density_atomic": 0.07463442343070108,
"volume": 66.99321533102695,
"volume_molar": 8.068851453768685,
"formula_full": "Rb1 Ta1 O3",
"formula_reduced": "RbTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.20435594,
"spacegroup": 221
},
{
"id": "jvasp-100257",
"created_at": "2022-09-04T14:36:22.192459Z",
"updated_at": "2022-09-04T14:36:22.192485Z",
"structure_string": "Y1 Er1 Cu2\n1.0\n4.217411 -0.000000 2.434924\n1.405804 3.976214 2.434924\n0.000000 0.000000 4.869847\nY Er Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Er\n0.749999 0.749999 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Er",
"Cu"
],
"chemical_system": "Cu-Er-Y",
"density": 7.793060178060436,
"density_atomic": 0.04898115231041421,
"volume": 81.66406487643071,
"volume_molar": 12.294812342990944,
"formula_full": "Y1 Er1 Cu2",
"formula_reduced": "YErCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7753740875,
"spacegroup": 225
},
{
"id": "jvasp-11369",
"created_at": "2022-09-04T14:36:39.836010Z",
"updated_at": "2022-09-04T14:36:39.836027Z",
"structure_string": "Nd1 Fe4 Sb12\n1.0\n7.513908 -0.000000 -2.656568\n-3.756954 6.507236 -2.656568\n0.000000 0.000000 7.969704\nNd Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 -0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.503929 0.837731 0.666197 Sb\n0.496072 0.162270 0.333802 Sb\n0.162270 0.666198 0.828467 Sb\n0.333803 0.171533 0.837730 Sb\n0.171534 0.837731 0.333802 Sb\n0.666198 0.828468 0.162269 Sb\n0.837731 0.333803 0.171533 Sb\n0.666198 0.503928 0.837730 Sb\n0.333803 0.496072 0.162269 Sb\n0.162270 0.333803 0.496072 Sb\n0.828467 0.162270 0.666197 Sb\n0.837731 0.666198 0.503928 Sb\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Sb"
],
"chemical_system": "Fe-Nd-Sb",
"density": 7.792860715895989,
"density_atomic": 0.04362588986839612,
"volume": 389.6768650744544,
"volume_molar": 13.804052543493484,
"formula_full": "Nd1 Fe4 Sb12",
"formula_reduced": "Nd(FeSb3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.546306276470588,
"spacegroup": 204
},
{
"id": "jvasp-110523",
"created_at": "2022-09-04T14:38:38.015679Z",
"updated_at": "2022-09-04T14:38:38.015708Z",
"structure_string": "Y1 Co3 Ni2\n1.0\n4.845946 0.000000 0.000000\n-2.422974 4.196713 -0.000000\n-0.000000 0.000000 4.013947\nY Co Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.666668 0.333333 0.000000 Ni\n0.333334 0.666667 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Co",
"Ni"
],
"chemical_system": "Co-Ni-Y",
"density": 7.792789988424799,
"density_atomic": 0.07350075091910543,
"volume": 81.63181906268646,
"volume_molar": 8.19330508150582,
"formula_full": "Y1 Co3 Ni2",
"formula_reduced": "YCo3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.705542158333333,
"spacegroup": 191
},
{
"id": "jvasp-22120",
"created_at": "2022-09-04T14:38:15.118847Z",
"updated_at": "2022-09-04T14:38:15.118871Z",
"structure_string": "Cu2 Ir4 S8\n1.0\n6.087440 -0.000000 3.514584\n2.029147 5.739293 3.514584\n-0.000000 -0.000000 7.029170\nCu Ir S\n2 4 8\ndirect\n0.875001 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.500000 0.500000 -0.000001 Ir\n0.500000 0.500000 0.499999 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.739902 0.739901 0.739900 S\n0.260099 0.260099 0.719704 S\n0.260099 0.719704 0.260098 S\n0.719704 0.260099 0.260098 S\n0.739902 0.280296 0.739901 S\n0.280297 0.739901 0.739901 S\n0.260099 0.260099 0.260098 S\n0.739902 0.739901 0.280295 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Ir",
"S"
],
"chemical_system": "Cu-Ir-S",
"density": 7.792653354169846,
"density_atomic": 0.057007355938914504,
"volume": 245.58234230336026,
"volume_molar": 10.563795953723844,
"formula_full": "Cu2 Ir4 S8",
"formula_reduced": "Cu(IrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.612937521428571,
"spacegroup": 227
},
{
"id": "jvasp-96826",
"created_at": "2022-09-04T14:36:22.222864Z",
"updated_at": "2022-09-04T14:36:22.222884Z",
"structure_string": "Bi10 Mo3 O24\n1.0\n5.535743 -0.000048 -1.327506\n-0.201601 8.677313 -0.840719\n0.009150 0.049215 12.243611\nBi Mo O\n10 3 24\ndirect\n0.475199 0.677628 0.925170 Bi\n0.774730 0.545933 0.386627 Bi\n0.550028 0.322369 0.074830 Bi\n0.272942 0.817668 0.475444 Bi\n0.089411 0.594880 0.150868 Bi\n0.388101 0.454069 0.613372 Bi\n0.175992 0.249255 0.297478 Bi\n0.938545 0.405118 0.849130 Bi\n0.878519 0.750742 0.702522 Bi\n0.797505 0.182335 0.524558 Bi\n0.679522 0.927442 0.248265 Mo\n-0.003317 -0.000003 -0.000000 Mo\n0.431264 0.072560 0.751737 Mo\n0.152917 0.161446 0.970531 O\n0.027045 0.687403 0.551315 O\n0.650428 0.580245 0.782004 O\n0.475724 0.312582 0.448686 O\n0.868420 0.419754 0.217996 O\n0.756570 0.935810 0.881323 O\n0.360473 0.412453 0.212635 O\n0.704557 0.774643 0.143805 O\n0.544517 0.830756 0.342690 O\n0.147841 0.587548 0.787366 O\n0.560767 0.225346 0.856201 O\n0.543635 0.651792 0.550929 O\n0.267200 0.917897 0.788536 O\n0.478644 0.082091 0.211458 O\n0.182374 0.838543 0.029467 O\n0.781369 0.500001 0.000000 O\n0.617726 0.003871 0.657503 O\n0.295606 0.499996 -0.000004 O\n0.875227 0.064182 0.118669 O\n0.103252 0.650136 0.345762 O\n0.960213 0.996146 0.342493 O\n0.757502 0.349882 0.654232 O\n0.201831 0.169254 0.657322 O\n0.992711 0.348210 0.449067 O\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 7.7926315779973985,
"density_atomic": 0.06287449167254963,
"volume": 588.4739425440767,
"volume_molar": 9.57803490700698,
"formula_full": "Bi10 Mo3 O24",
"formula_reduced": "Bi10(MoO8)3",
"formula_anonymous": "A3B10C24",
"energy_above_hull": 2.923107964864865,
"spacegroup": 5
},
{
"id": "jvasp-41874",
"created_at": "2022-09-04T14:37:33.092222Z",
"updated_at": "2022-09-04T14:37:33.092239Z",
"structure_string": "Sc2 Tl1 Ag1\n1.0\n0.000018 3.499334 3.499333\n3.499344 0.000011 3.499339\n3.499335 3.499332 0.000020\nSc Tl Ag\n2 1 1\ndirect\n-0.000000 0.000000 -0.000000 Sc\n0.499999 0.500001 0.500000 Sc\n0.749999 0.750001 0.750000 Tl\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Ag"
],
"chemical_system": "Ag-Sc-Tl",
"density": 7.792334877917284,
"density_atomic": 0.04667410944722758,
"volume": 85.70061748093188,
"volume_molar": 12.90252954222721,
"formula_full": "Sc2 Tl1 Ag1",
"formula_reduced": "Sc2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.99106509,
"spacegroup": 225
},
{
"id": "jvasp-18606",
"created_at": "2022-09-04T14:36:56.196891Z",
"updated_at": "2022-09-04T14:36:56.196907Z",
"structure_string": "Li2 Ga1 Au1\n1.0\n3.801200 -0.000000 2.194624\n1.267067 3.583806 2.194624\n-0.000000 0.000000 4.389247\nLi Ga Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500001 0.499999 Li\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750001 0.749999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Li",
"density": 7.791795118898865,
"density_atomic": 0.06689670968808045,
"volume": 59.79367324119251,
"volume_molar": 9.002147920397668,
"formula_full": "Li2 Ga1 Au1",
"formula_reduced": "Li2GaAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.21207344625,
"spacegroup": 216
}
]
}