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=485",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=483",
"results": [
{
"id": "jvasp-116164",
"created_at": "2022-09-04T14:38:40.790260Z",
"updated_at": "2022-09-04T14:38:40.790284Z",
"structure_string": "Hg1 Cl1\n1.0\n3.471743 -0.000000 -0.000000\n-0.000000 3.471743 0.000000\n0.000000 0.000000 5.154843\nHg Cl\n1 1\ndirect\n0.000000 0.000000 0.749996 Hg\n0.000000 0.000000 0.250003 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 6.308551365412486,
"density_atomic": 0.0321898843239012,
"volume": 62.13131988532767,
"volume_molar": 18.708177697701515,
"formula_full": "Hg1 Cl1",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.318061,
"spacegroup": 123
},
{
"id": "jvasp-105847",
"created_at": "2022-09-04T14:36:15.663354Z",
"updated_at": "2022-09-04T14:36:15.663384Z",
"structure_string": "Pr3 Hf1\n1.0\n4.572568 0.028495 -4.048649\n-0.908428 4.481512 -4.048649\n-0.023151 -0.028495 6.107324\nPr Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.749999 0.499999 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Hf"
],
"chemical_system": "Hf-Pr",
"density": 8.034277586376836,
"density_atomic": 0.032190624334884795,
"volume": 124.2597831712516,
"volume_molar": 18.707747626608906,
"formula_full": "Pr3 Hf1",
"formula_reduced": "Pr3Hf",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6838206375,
"spacegroup": 139
},
{
"id": "jvasp-38633",
"created_at": "2022-09-04T14:38:07.566449Z",
"updated_at": "2022-09-04T14:38:07.566475Z",
"structure_string": "Pm6 Sc2\n1.0\n3.562847 -6.171033 0.000000\n3.562847 6.171033 -0.000000\n0.000000 -0.000000 5.651640\nPm Sc\n6 2\ndirect\n0.170078 0.340155 0.250000 Pm\n0.829922 0.170079 0.750000 Pm\n0.340155 0.170078 0.750000 Pm\n0.659845 0.829922 0.250000 Pm\n0.170079 0.829922 0.250000 Pm\n0.829922 0.659845 0.750000 Pm\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Sc"
],
"chemical_system": "Pm-Sc",
"density": 6.413881195705932,
"density_atomic": 0.032190702875897745,
"volume": 248.51895998797428,
"volume_molar": 18.707701982204863,
"formula_full": "Pm6 Sc2",
"formula_reduced": "Pm3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 1.84939719375,
"spacegroup": 194
},
{
"id": "jvasp-28865",
"created_at": "2022-09-04T14:37:41.614744Z",
"updated_at": "2022-09-04T14:37:41.614772Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.470507 0.000000 0.000000\n-1.735254 3.006238 -0.000041\n0.000000 -0.000789 35.729645\nTe Mo W S\n6 2 2 2\ndirect\n0.333313 0.666627 0.717678 Te\n0.666701 0.333399 0.043062 Te\n0.666591 0.333179 0.411320 Te\n0.666656 0.333308 0.147046 Te\n0.666769 0.333534 0.514849 Te\n0.333374 0.666747 0.613738 Te\n0.333279 0.666555 0.463116 Mo\n0.666667 0.333334 0.279053 Mo\n0.333288 0.666575 0.094987 W\n0.666784 0.333567 0.665773 W\n0.333280 0.666559 0.320536 S\n0.333309 0.666619 0.237591 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 6.188665667106423,
"density_atomic": 0.03219113283197048,
"volume": 372.7734610222307,
"volume_molar": 18.707452115568724,
"formula_full": "Te6 Mo2 W2 S2",
"formula_reduced": "Te3MoWS",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.3974882,
"spacegroup": 156
},
{
"id": "jvasp-102319",
"created_at": "2022-09-04T14:36:46.642358Z",
"updated_at": "2022-09-04T14:36:46.642382Z",
"structure_string": "Tl1 Pb1\n1.0\n3.379616 -0.004314 5.057065\n1.531072 3.012912 5.057065\n-0.007042 -0.004314 6.082406\nTl Pb\n1 1\ndirect\n0.500000 0.500001 0.500000 Tl\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Pb"
],
"chemical_system": "Pb-Tl",
"density": 11.00174741787006,
"density_atomic": 0.03219473267223234,
"volume": 62.12196325285786,
"volume_molar": 18.705360349812874,
"formula_full": "Tl1 Pb1",
"formula_reduced": "TlPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.1372636066666666,
"spacegroup": 166
},
{
"id": "jvasp-28985",
"created_at": "2022-09-04T14:37:40.424455Z",
"updated_at": "2022-09-04T14:37:40.424481Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.346383 0.000000 0.000000\n-1.673191 2.898356 0.000886\n0.000000 0.011349 38.429389\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.667182 0.334365 0.420163 Te\n0.666771 0.333541 0.519055 Te\n0.333603 0.667206 0.469631 Mo\n0.667229 0.334458 0.280847 Mo\n0.333837 0.667675 0.093759 W\n0.665374 0.330747 0.658723 W\n0.333697 0.667395 0.324195 Se\n0.331793 0.663586 0.702155 Se\n0.334029 0.668061 0.237439 Se\n0.332096 0.664194 0.615137 Se\n0.667349 0.334699 0.054197 S\n0.667040 0.334082 0.133448 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.322651758983572,
"density_atomic": 0.032195148480548164,
"volume": 372.7269655939069,
"volume_molar": 18.705118765451537,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5281584000000006,
"spacegroup": 156
},
{
"id": "jvasp-102361",
"created_at": "2022-09-04T14:36:58.104791Z",
"updated_at": "2022-09-04T14:36:58.104810Z",
"structure_string": "K3 As1 Cl6\n1.0\n6.583205 -0.000000 3.800815\n2.194402 6.206705 3.800815\n-0.000000 -0.000000 7.601631\nK As Cl\n3 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.767820 0.232180 0.232180 Cl\n0.232180 0.232180 0.767820 Cl\n0.232180 0.767820 0.767820 Cl\n0.232180 0.767820 0.232181 Cl\n0.767820 0.232180 0.767820 Cl\n0.767820 0.767820 0.232181 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"As",
"Cl"
],
"chemical_system": "As-Cl-K",
"density": 2.1648539866718632,
"density_atomic": 0.03219546725974312,
"volume": 310.6027292389664,
"volume_molar": 18.704933559172233,
"formula_full": "K3 As1 Cl6",
"formula_reduced": "K3AsCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18308",
"created_at": "2022-09-04T14:38:08.177361Z",
"updated_at": "2022-09-04T14:38:08.177391Z",
"structure_string": "Ho1 Bi1\n1.0\n3.849858 -0.000000 2.222716\n1.283286 3.629681 2.222716\n0.000000 0.000000 4.445433\nHo Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Bi"
],
"chemical_system": "Bi-Ho",
"density": 9.99516057876368,
"density_atomic": 0.03219606217490588,
"volume": 62.1193979914361,
"volume_molar": 18.704587931544474,
"formula_full": "Ho1 Bi1",
"formula_reduced": "HoBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.3221349333333332,
"spacegroup": 225
},
{
"id": "jvasp-111037",
"created_at": "2022-09-04T14:38:37.560772Z",
"updated_at": "2022-09-04T14:38:37.560795Z",
"structure_string": "La1 Ce1\n1.0\n3.362108 -0.006351 5.137922\n1.526929 2.995380 5.137922\n-0.010388 -0.006351 6.140187\nLa Ce\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Ce"
],
"chemical_system": "Ce-La",
"density": 7.4590236782798645,
"density_atomic": 0.03219773054618158,
"volume": 62.116179186336645,
"volume_molar": 18.703618726675074,
"formula_full": "La1 Ce1",
"formula_reduced": "LaCe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3537502500000005,
"spacegroup": 166
},
{
"id": "jvasp-39921",
"created_at": "2022-09-04T14:37:43.427491Z",
"updated_at": "2022-09-04T14:37:43.427511Z",
"structure_string": "Ca1 Bi3\n1.0\n4.989708 0.000000 0.000000\n0.000000 4.989708 -0.000000\n-0.000000 -0.000000 4.989708\nCa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 8.915835332819208,
"density_atomic": 0.032198422705537515,
"volume": 124.2296877887772,
"volume_molar": 18.70321666087174,
"formula_full": "Ca1 Bi3",
"formula_reduced": "CaBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5644151875000001,
"spacegroup": 221
},
{
"id": "jvasp-100808",
"created_at": "2022-09-04T14:36:42.765787Z",
"updated_at": "2022-09-04T14:36:42.765809Z",
"structure_string": "Sn2 Ge1 Te3\n1.0\n4.440485 -0.000000 0.000000\n-2.220243 3.845572 0.000000\n0.000000 0.000000 10.910865\nSn Ge Te\n2 1 3\ndirect\n0.333333 0.666666 0.826229 Sn\n0.666666 0.333333 0.173772 Sn\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666666 0.347812 Te\n0.666666 0.333333 0.652189 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Ge",
"Te"
],
"chemical_system": "Ge-Sn-Te",
"density": 6.175100786923658,
"density_atomic": 0.032203324907391556,
"volume": 186.31616509333898,
"volume_molar": 18.700369534258098,
"formula_full": "Sn2 Ge1 Te3",
"formula_reduced": "Sn2GeTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7692154416666668,
"spacegroup": 164
},
{
"id": "jvasp-23896",
"created_at": "2022-09-04T14:37:44.371108Z",
"updated_at": "2022-09-04T14:37:44.371138Z",
"structure_string": "Sm8 Bi6\n1.0\n7.792700 -0.000000 -2.755136\n-3.896350 6.748676 -2.755136\n0.000000 0.000000 8.265407\nSm Bi\n8 6\ndirect\n0.144750 0.144750 0.144750 Sm\n0.855250 0.500000 -0.000001 Sm\n0.000000 0.855251 0.500000 Sm\n0.500000 0.000000 0.855250 Sm\n0.000000 0.355250 0.500000 Sm\n0.500000 0.000000 0.355250 Sm\n0.355250 0.500000 -0.000000 Sm\n0.644750 0.644750 0.644750 Sm\n0.250000 0.625000 0.375000 Bi\n0.375000 0.250000 0.625000 Bi\n0.125000 0.750000 0.875000 Bi\n0.875000 0.125000 0.750000 Bi\n0.625000 0.375000 0.250000 Bi\n0.750000 0.875001 0.124999 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Bi"
],
"chemical_system": "Bi-Sm",
"density": 9.385155545342911,
"density_atomic": 0.03220751785981165,
"volume": 434.6811219957163,
"volume_molar": 18.69793501694954,
"formula_full": "Sm8 Bi6",
"formula_reduced": "Sm4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.3183169142857143,
"spacegroup": 220
}
]
}