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=id&page=4605",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4603",
"results": [
{
"id": "jvasp-99491",
"created_at": "2022-09-04T14:36:31.563433Z",
"updated_at": "2022-09-04T14:36:31.563457Z",
"structure_string": "Mg5 Hg1\n1.0\n8.127449 0.040289 0.000000\n-7.475020 3.190787 0.000000\n0.000000 0.000000 5.002721\nMg Hg\n5 1\ndirect\n0.000894 0.999108 0.500000 Mg\n0.671329 0.328672 0.500000 Mg\n0.335086 0.664915 0.500000 Mg\n0.556312 0.443689 -0.000000 Mg\n0.882064 0.117937 -0.000000 Mg\n0.220988 0.779013 -0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 4.075559781272053,
"density_atomic": 0.04571707872113411,
"volume": 131.24198150540002,
"volume_molar": 13.172628104113928,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0014633333333333,
"spacegroup": 38
},
{
"id": "jvasp-99492",
"created_at": "2022-09-04T14:36:32.178531Z",
"updated_at": "2022-09-04T14:36:32.178559Z",
"structure_string": "Sr1 Ca3\n1.0\n5.404664 -0.000000 3.120384\n1.801555 5.095566 3.120384\n-0.000000 -0.000000 6.240768\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ca\n0.749999 0.750001 0.750000 Ca\n0.499999 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.008206254006711,
"density_atomic": 0.023273452983190227,
"volume": 171.8696406110898,
"volume_molar": 25.87557920326488,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0024824999999999,
"spacegroup": 225
},
{
"id": "jvasp-99493",
"created_at": "2022-09-04T14:36:32.547396Z",
"updated_at": "2022-09-04T14:36:32.547416Z",
"structure_string": "Ta1 Si1 Ru2\n1.0\n3.765030 0.000000 2.173741\n1.255010 3.549704 2.173741\n-0.000000 -0.000000 4.347482\nTa Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499999 0.500000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.749999 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Ta",
"density": 11.751024017931567,
"density_atomic": 0.06884329013184656,
"volume": 58.102975501887286,
"volume_molar": 8.747607426179922,
"formula_full": "Ta1 Si1 Ru2",
"formula_reduced": "TaSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6087672,
"spacegroup": 225
},
{
"id": "jvasp-99494",
"created_at": "2022-09-04T14:36:32.701501Z",
"updated_at": "2022-09-04T14:36:32.701534Z",
"structure_string": "Yb1 Ta1 O3\n1.0\n3.988289 -0.000000 0.000000\n0.000000 3.988289 0.000000\n-0.000000 -0.000000 3.988289\nYb Ta O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ta\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Yb",
"density": 10.522047304751537,
"density_atomic": 0.07881522909262188,
"volume": 63.43951616411738,
"volume_molar": 7.640833921732203,
"formula_full": "Yb1 Ta1 O3",
"formula_reduced": "YbTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1788740799999995,
"spacegroup": 221
},
{
"id": "jvasp-99495",
"created_at": "2022-09-04T14:36:32.289734Z",
"updated_at": "2022-09-04T14:36:32.289765Z",
"structure_string": "Yb6 Dy2\n1.0\n7.313972 -0.000000 0.000000\n-3.656985 6.334086 0.000000\n-0.000000 -0.000000 5.961480\nYb Dy\n6 2\ndirect\n0.170166 0.340332 0.250000 Yb\n0.659667 0.829834 0.250000 Yb\n0.170166 0.829834 0.250000 Yb\n0.829833 0.659668 0.750000 Yb\n0.340332 0.170167 0.750000 Yb\n0.829833 0.170167 0.750000 Yb\n0.333333 0.666667 0.750000 Dy\n0.666666 0.333334 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Dy"
],
"chemical_system": "Dy-Yb",
"density": 8.196530848940025,
"density_atomic": 0.028966674999593395,
"volume": 276.1794372364897,
"volume_molar": 20.789893075696583,
"formula_full": "Yb6 Dy2",
"formula_reduced": "Yb3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-99496",
"created_at": "2022-09-04T14:36:36.789111Z",
"updated_at": "2022-09-04T14:36:36.789133Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n4.027830 -0.000000 2.325469\n1.342610 3.797475 2.325469\n-0.000000 -0.000000 4.650938\nZr Tc Ir\n2 1 1\ndirect\n0.750000 0.749999 0.750001 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.499999 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Zr",
"density": 11.033058892573361,
"density_atomic": 0.05622809701366308,
"volume": 71.13881159855053,
"volume_molar": 10.710198423639797,
"formula_full": "Zr2 Tc1 Ir1",
"formula_reduced": "Zr2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.4785279000000005,
"spacegroup": 225
},
{
"id": "jvasp-99497",
"created_at": "2022-09-04T14:36:33.423963Z",
"updated_at": "2022-09-04T14:36:33.423992Z",
"structure_string": "Tb3 Mg3 Tl3\n1.0\n7.537607 -0.000000 0.000000\n-3.768803 6.527760 0.000000\n-0.000000 -0.000000 4.633168\nTb Mg Tl\n3 3 3\ndirect\n0.571700 0.000000 -0.000000 Tb\n0.000000 0.571700 -0.000000 Tb\n0.428301 0.428300 -0.000000 Tb\n0.243795 0.000000 0.500000 Mg\n0.000000 0.243795 0.500000 Mg\n0.756206 0.756205 0.500000 Mg\n0.333334 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tb-Tl",
"density": 8.470200634546583,
"density_atomic": 0.039479058983842574,
"volume": 227.9689595358236,
"volume_molar": 15.2540129248386,
"formula_full": "Tb3 Mg3 Tl3",
"formula_reduced": "TbMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0208762416666666,
"spacegroup": 189
},
{
"id": "jvasp-99498",
"created_at": "2022-09-04T14:36:38.916093Z",
"updated_at": "2022-09-04T14:36:38.916118Z",
"structure_string": "La2 Co2 Si4\n1.0\n8.572858 -0.002398 0.000000\n-7.517573 4.120680 0.000000\n-0.000000 0.000000 4.128510\nLa Co Si\n2 2 4\ndirect\n0.607817 0.392183 0.250000 La\n0.392183 0.607817 0.750000 La\n0.817913 0.182087 0.250000 Co\n0.182087 0.817913 0.750000 Co\n0.956206 0.043794 0.250000 Si\n0.043794 0.956206 0.750000 Si\n0.249968 0.750032 0.250000 Si\n0.750032 0.249967 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Co",
"Si"
],
"chemical_system": "Co-La-Si",
"density": 5.78712888320828,
"density_atomic": 0.05488122626040327,
"volume": 145.76933762451276,
"volume_molar": 10.973043370834748,
"formula_full": "La2 Co2 Si4",
"formula_reduced": "LaCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.676138275,
"spacegroup": 63
},
{
"id": "jvasp-99499",
"created_at": "2022-09-04T14:36:33.846460Z",
"updated_at": "2022-09-04T14:36:33.846493Z",
"structure_string": "Zn3 Fe1 S4\n1.0\n3.779541 0.000891 12.151989\n1.846896 3.297561 12.151989\n0.001520 0.000891 12.726184\nZn Fe S\n3 1 4\ndirect\n-0.000244 -0.000244 -0.000244 Zn\n0.750183 0.750182 0.750182 Zn\n0.500598 0.500597 0.500597 Zn\n0.249652 0.249651 0.249651 Fe\n0.062325 0.062325 0.062325 S\n0.812698 0.812696 0.812697 S\n0.563248 0.563247 0.563247 S\n0.311546 0.311545 0.311545 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9844036591723424,
"density_atomic": 0.05047093526389985,
"volume": 158.50706863603793,
"volume_molar": 11.931898484765021,
"formula_full": "Zn3 Fe1 S4",
"formula_reduced": "Zn3FeS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8268270874999999,
"spacegroup": 160
},
{
"id": "jvasp-99500",
"created_at": "2022-09-04T14:36:33.881318Z",
"updated_at": "2022-09-04T14:36:33.881336Z",
"structure_string": "Tl4 Br3 Cl1\n1.0\n3.948587 -0.000000 0.000000\n0.000000 3.948587 0.000000\n-0.000000 -0.000000 15.793595\nTl Br Cl\n4 3 1\ndirect\n0.000000 0.000000 0.881820 Tl\n0.000000 0.000000 0.118180 Tl\n0.000000 0.000000 0.372858 Tl\n0.000000 0.000000 0.627142 Tl\n0.500000 0.500000 0.245603 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.754397 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Tl",
"density": 7.368598703825519,
"density_atomic": 0.03248819380409031,
"volume": 246.24329835759565,
"volume_molar": 18.53639754895147,
"formula_full": "Tl4 Br3 Cl1",
"formula_reduced": "Tl4Br3Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-99501",
"created_at": "2022-09-04T14:36:34.223179Z",
"updated_at": "2022-09-04T14:36:34.223200Z",
"structure_string": "Th1 U1 C2\n1.0\n3.484469 0.004727 5.229719\n1.586177 3.102513 5.229719\n0.007714 0.004727 6.284220\nTh U C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 U\n0.265646 0.265647 0.265646 C\n0.734353 0.734354 0.734353 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"C"
],
"chemical_system": "C-Th-U",
"density": 12.11586701568417,
"density_atomic": 0.05906915527933258,
"volume": 67.71723721262593,
"volume_molar": 10.195068359318586,
"formula_full": "Th1 U1 C2",
"formula_reduced": "ThUC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.2482804,
"spacegroup": 166
},
{
"id": "jvasp-99502",
"created_at": "2022-09-04T14:36:42.036654Z",
"updated_at": "2022-09-04T14:36:42.036687Z",
"structure_string": "Ta1 Nb1\n1.0\n2.875709 -0.003057 0.000000\n-0.965856 2.708659 0.000000\n-0.000000 0.000000 4.681399\nTa Nb\n1 1\ndirect\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Nb"
],
"chemical_system": "Nb-Ta",
"density": 12.475510468501001,
"density_atomic": 0.054868074807475804,
"volume": 36.45106935167149,
"volume_molar": 10.975673524414383,
"formula_full": "Ta1 Nb1",
"formula_reduced": "TaNb",
"formula_anonymous": "AB",
"energy_above_hull": 4.064399299999999,
"spacegroup": 65
}
]
}