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=1157",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1155",
"results": [
{
"id": "jvasp-2961",
"created_at": "2022-09-04T14:36:59.774213Z",
"updated_at": "2022-09-04T14:36:59.774237Z",
"structure_string": "Rb1 Au3 Se2\n1.0\n3.105481 -5.378850 0.000000\n3.105481 5.378850 0.000000\n0.000000 0.000000 5.193593\nRb Au Se\n1 3 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 -0.000000 0.000000 Au\n-0.000000 0.500000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.333333 0.666667 0.330540 Se\n0.666667 0.333333 0.669460 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Se"
],
"chemical_system": "Au-Rb-Se",
"density": 7.984516442110147,
"density_atomic": 0.034580799684590116,
"volume": 173.50668737350566,
"volume_molar": 17.41469490274276,
"formula_full": "Rb1 Au3 Se2",
"formula_reduced": "RbAu3Se2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5616556625,
"spacegroup": 164
},
{
"id": "jvasp-100848",
"created_at": "2022-09-04T14:36:41.686145Z",
"updated_at": "2022-09-04T14:36:41.686171Z",
"structure_string": "Ce2 Al1 Fe3\n1.0\n4.505557 0.000000 2.685089\n-3.052869 4.264943 0.000000\n-0.006217 -0.004450 5.133120\nCe Al Fe\n2 1 3\ndirect\n0.517063 0.758532 0.724404 Ce\n0.982936 0.991467 0.025597 Ce\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Fe\n0.249999 0.874999 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Fe"
],
"chemical_system": "Al-Ce-Fe",
"density": 7.983545025004159,
"density_atomic": 0.060762312692230154,
"volume": 98.74541856875761,
"volume_molar": 9.910980167102935,
"formula_full": "Ce2 Al1 Fe3",
"formula_reduced": "Ce2AlFe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.9915867166666663,
"spacegroup": 166
},
{
"id": "jvasp-68466",
"created_at": "2022-09-04T14:36:06.246934Z",
"updated_at": "2022-09-04T14:36:06.246960Z",
"structure_string": "Be2 Fe1 Bi1\n1.0\n2.985184 0.000000 0.000000\n0.000000 2.985184 0.000000\n-0.000000 0.000000 6.601903\nBe Fe Bi\n2 1 1\ndirect\n0.000000 0.000000 0.648532 Be\n0.000000 0.000000 0.351467 Be\n0.499999 0.499999 0.500000 Fe\n0.499999 0.499999 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Bi"
],
"chemical_system": "Be-Bi-Fe",
"density": 7.983504394256991,
"density_atomic": 0.06799056369289923,
"volume": 58.83169344009646,
"volume_molar": 8.857318476135738,
"formula_full": "Be2 Fe1 Bi1",
"formula_reduced": "Be2FeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.101948,
"spacegroup": 123
},
{
"id": "jvasp-21786",
"created_at": "2022-09-04T14:38:13.086420Z",
"updated_at": "2022-09-04T14:38:13.086441Z",
"structure_string": "Ba2 Tb1 Ir1 O6\n1.0\n5.166507 0.000000 2.982883\n1.722169 4.871029 2.982883\n0.000000 0.000000 5.965768\nTb Ba Ir O\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 Tb\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Ir\n0.235521 0.764479 0.764478 O\n0.235521 0.764479 0.235521 O\n0.764479 0.235521 0.764478 O\n0.235521 0.235521 0.764479 O\n0.764479 0.235521 0.235520 O\n0.764479 0.764479 0.235520 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Tb",
"density": 7.983209296690485,
"density_atomic": 0.06660639098664367,
"volume": 150.13574301008535,
"volume_molar": 9.041385775139203,
"formula_full": "Ba2 Tb1 Ir1 O6",
"formula_reduced": "Ba2TbIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.140384244,
"spacegroup": 225
},
{
"id": "jvasp-37154",
"created_at": "2022-09-04T14:38:08.176069Z",
"updated_at": "2022-09-04T14:38:08.176097Z",
"structure_string": "Nb3 Cr1\n1.0\n4.097444 0.000000 0.000000\n0.000000 4.097444 -0.000000\n-0.000000 0.000000 4.097444\nNb Cr\n3 1\ndirect\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Cr"
],
"chemical_system": "Cr-Nb",
"density": 7.982965009605464,
"density_atomic": 0.058146142870963424,
"volume": 68.79218126087413,
"volume_molar": 10.356904968510458,
"formula_full": "Nb3 Cr1",
"formula_reduced": "Nb3Cr",
"formula_anonymous": "AB3",
"energy_above_hull": 5.424168900000001,
"spacegroup": 221
},
{
"id": "jvasp-17394",
"created_at": "2022-09-04T14:38:28.384100Z",
"updated_at": "2022-09-04T14:38:28.384126Z",
"structure_string": "Mn1 Cu2 Sb1\n1.0\n3.871889 -0.000000 2.235436\n1.290630 3.650452 2.235436\n0.000000 -0.000000 4.470872\nMn Cu Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750001 Cu\n0.500000 0.500000 0.500001 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"Sb"
],
"chemical_system": "Cu-Mn-Sb",
"density": 7.982903120245206,
"density_atomic": 0.06329919899800962,
"volume": 63.19195287330218,
"volume_molar": 9.513770877557803,
"formula_full": "Mn1 Cu2 Sb1",
"formula_reduced": "MnCu2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3236210603448275,
"spacegroup": 225
},
{
"id": "jvasp-75489",
"created_at": "2022-09-04T14:36:07.495801Z",
"updated_at": "2022-09-04T14:36:07.495823Z",
"structure_string": "Te1 As1 Rh1\n1.0\n0.000000 3.167065 3.167065\n3.167065 -0.000000 3.167065\n3.167065 3.167065 0.000000\nTe As Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Te\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Te",
"As",
"Rh"
],
"chemical_system": "As-Rh-Te",
"density": 7.982809031138639,
"density_atomic": 0.0472193852434797,
"volume": 63.533228662994,
"volume_molar": 12.75353486486055,
"formula_full": "Te1 As1 Rh1",
"formula_reduced": "TeAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7460308388888892,
"spacegroup": 216
},
{
"id": "jvasp-73983",
"created_at": "2022-09-04T14:36:01.537589Z",
"updated_at": "2022-09-04T14:36:01.537606Z",
"structure_string": "Be1 Cr1 Mo2\n1.0\n3.130870 0.000000 0.000000\n0.000000 3.130870 0.000000\n0.000000 0.000000 5.367223\nBe Cr Mo\n1 1 2\ndirect\n0.000000 0.000000 0.510063 Be\n0.500000 0.500000 0.718423 Cr\n0.000000 0.000000 0.990177 Mo\n0.500000 0.500000 0.281335 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Mo"
],
"chemical_system": "Be-Cr-Mo",
"density": 7.981749489467456,
"density_atomic": 0.0760291755285714,
"volume": 52.61138204105369,
"volume_molar": 7.920828705734035,
"formula_full": "Be1 Cr1 Mo2",
"formula_reduced": "BeCrMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.675961325,
"spacegroup": 99
},
{
"id": "jvasp-62744",
"created_at": "2022-09-04T14:35:55.961285Z",
"updated_at": "2022-09-04T14:35:55.961311Z",
"structure_string": "Tb1 Ni12 B6\n1.0\n3.688691 -4.759252 -0.007066\n3.688691 4.759252 -0.007066\n-2.441270 0.000000 5.504286\nTb Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.452575 0.452575 0.186427 Ni\n0.452575 0.186427 0.452575 Ni\n0.547425 0.547425 0.813572 Ni\n0.813572 0.547425 0.547424 Ni\n0.547425 0.813572 0.547424 Ni\n0.869708 0.500000 0.130291 Ni\n0.130291 0.869708 0.500000 Ni\n0.186427 0.452575 0.452575 Ni\n0.500000 0.130291 0.869709 Ni\n0.869708 0.130291 0.500000 Ni\n0.500000 0.869708 0.130291 Ni\n0.130291 0.500000 0.869709 Ni\n0.670367 0.235325 0.235324 B\n0.235325 0.235325 0.670367 B\n0.235325 0.670367 0.235324 B\n0.764675 0.764675 0.329632 B\n0.329633 0.764675 0.764675 B\n0.764675 0.329633 0.764675 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"B"
],
"chemical_system": "B-Ni-Tb",
"density": 7.981356800098305,
"density_atomic": 0.0983967539191381,
"volume": 193.09580085959027,
"volume_molar": 6.120263647059903,
"formula_full": "Tb1 Ni12 B6",
"formula_reduced": "Tb(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.6838096157894737,
"spacegroup": 166
},
{
"id": "jvasp-12372",
"created_at": "2022-09-04T14:38:12.227115Z",
"updated_at": "2022-09-04T14:38:12.227135Z",
"structure_string": "Mn4 Co4 Ge4\n1.0\n3.757723 0.000000 0.000000\n-0.000000 5.835835 0.000000\n0.000000 0.000000 7.078026\nMn Co Ge\n4 4 4\ndirect\n0.749999 0.467455 0.310243 Mn\n0.250000 0.532544 0.689758 Mn\n0.250000 0.032545 0.810243 Mn\n0.749999 0.967454 0.189758 Mn\n0.749999 0.842909 0.560633 Co\n0.749999 0.342909 0.939368 Co\n0.250000 0.157090 0.439368 Co\n0.250000 0.657090 0.060633 Co\n0.749999 0.241748 0.620440 Ge\n0.250000 0.758251 0.379561 Ge\n0.749999 0.741748 0.879561 Ge\n0.250000 0.258251 0.120440 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mn",
"density": 7.981309960617385,
"density_atomic": 0.07731100610661006,
"volume": 155.2172272011605,
"volume_molar": 7.789499921519079,
"formula_full": "Mn4 Co4 Ge4",
"formula_reduced": "MnCoGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.418691363793103,
"spacegroup": 62
},
{
"id": "jvasp-16349",
"created_at": "2022-09-04T14:38:28.213626Z",
"updated_at": "2022-09-04T14:38:28.213644Z",
"structure_string": "Ho2 Ge6 Pd1\n1.0\n3.959094 0.000000 -0.741313\n0.000000 4.092342 0.000000\n0.046400 0.000000 11.190539\nHo Ge Pd\n2 6 1\ndirect\n0.338140 0.000000 0.676279 Ho\n0.998290 0.000000 0.996580 Ho\n0.212215 0.500000 0.424431 Ge\n0.097815 0.500000 0.195630 Ge\n0.890055 0.500000 0.780113 Ge\n0.713729 0.000000 0.427460 Ge\n0.599627 0.000000 0.199255 Ge\n0.462102 0.500000 0.924207 Ge\n0.780022 0.500000 0.560047 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Pd"
],
"chemical_system": "Ge-Ho-Pd",
"density": 7.9812309412418365,
"density_atomic": 0.049600576549308585,
"volume": 181.44950373818702,
"volume_molar": 12.14127169270565,
"formula_full": "Ho2 Ge6 Pd1",
"formula_reduced": "Ho2Ge6Pd",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.164853614814815,
"spacegroup": 38
},
{
"id": "jvasp-117342",
"created_at": "2022-09-04T14:38:26.368490Z",
"updated_at": "2022-09-04T14:38:26.368523Z",
"structure_string": "U6 Al8 Fe5 Si9\n1.0\n10.209228 0.012822 -4.414004\n-0.496789 3.998724 -10.367032\n0.000328 -0.012822 11.122580\nU Al Fe Si\n6 8 5 9\ndirect\n0.872715 0.872714 -0.000001 U\n0.127285 0.127285 -0.000000 U\n0.189145 0.874758 0.314386 U\n0.439628 0.125241 0.314386 U\n0.560373 0.874758 0.685614 U\n0.810856 0.125241 0.685614 U\n0.150834 0.000000 0.150834 Al\n0.263980 0.763980 0.500000 Al\n0.736020 0.236019 0.500000 Al\n0.849166 0.000000 0.849166 Al\n0.336453 0.500000 0.836453 Al\n0.617121 0.617120 -0.000000 Al\n0.382879 0.382879 -0.000000 Al\n0.663547 0.499999 0.163547 Al\n0.028388 0.713559 0.314829 Fe\n0.601270 0.286440 0.314829 Fe\n0.000000 0.500000 0.500000 Fe\n0.971612 0.286440 0.685171 Fe\n0.398731 0.713559 0.685171 Fe\n0.933711 0.588507 0.345202 Si\n0.871215 0.739493 0.131720 Si\n0.392227 0.260506 0.131720 Si\n0.607774 0.739493 0.868279 Si\n0.128786 0.260506 0.868280 Si\n0.066290 0.411492 0.654798 Si\n0.243305 0.588508 0.654798 Si\n0.756695 0.411491 0.345202 Si\n0.500000 0.000000 0.500000 Si\n",
"nsites": 28,
"nelements": 4,
"elements": [
"U",
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si-U",
"density": 7.980784462347183,
"density_atomic": 0.06184314673762152,
"volume": 452.75833260545494,
"volume_molar": 9.737765747189096,
"formula_full": "U6 Al8 Fe5 Si9",
"formula_reduced": "U6Al8Fe5Si9",
"formula_anonymous": "A5B6C8D9",
"energy_above_hull": 4.327426189285715,
"spacegroup": 71
}
]
}