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=-energy_above_hull&page=4116",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4114",
"results": [
{
"id": "jvasp-120852",
"created_at": "2022-09-04T14:38:50.702378Z",
"updated_at": "2022-09-04T14:38:50.702411Z",
"structure_string": "Ba1 Cd1 Cl1\n1.0\n5.766298 0.000000 0.000000\n-2.883149 4.993761 -0.000000\n0.000000 0.000000 3.960394\nBa Cd Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Cd\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Cl"
],
"chemical_system": "Ba-Cd-Cl",
"density": 4.152615144592586,
"density_atomic": 0.026306194373054977,
"volume": 114.0415811369832,
"volume_molar": 22.892481803329126,
"formula_full": "Ba1 Cd1 Cl1",
"formula_reduced": "BaCdCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0373399999999999,
"spacegroup": 187
},
{
"id": "jvasp-64822",
"created_at": "2022-09-04T14:36:04.745346Z",
"updated_at": "2022-09-04T14:36:04.745372Z",
"structure_string": "Ba4 Cd1 Sb1\n1.0\n0.000000 5.020678 5.020678\n5.020678 0.000000 5.020678\n5.020678 5.020678 -0.000000\nBa Cd Sb\n4 1 1\ndirect\n0.120738 0.626421 0.626421 Ba\n0.626421 0.626421 0.626421 Ba\n0.626421 0.120738 0.626421 Ba\n0.626421 0.626421 0.120738 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 5.139955457648183,
"density_atomic": 0.02370468278801432,
"volume": 253.11454507350544,
"volume_molar": 25.404856980600243,
"formula_full": "Ba4 Cd1 Sb1",
"formula_reduced": "Ba4CdSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0373136566666666,
"spacegroup": 216
},
{
"id": "jvasp-100006",
"created_at": "2022-09-04T14:36:32.192845Z",
"updated_at": "2022-09-04T14:36:32.192881Z",
"structure_string": "Cu3 Ge1\n1.0\n2.747934 0.000000 0.000000\n-1.373967 2.379780 -0.000000\n-0.000000 -0.000000 8.330493\nCu Ge\n3 1\ndirect\n0.333332 0.666667 0.500000 Cu\n0.000000 0.000000 0.739609 Cu\n0.000000 0.000000 0.260391 Cu\n0.333332 0.666667 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 8.025088969987614,
"density_atomic": 0.07342537607470434,
"volume": 54.47707882259024,
"volume_molar": 8.201715921581338,
"formula_full": "Cu3 Ge1",
"formula_reduced": "Cu3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0372975,
"spacegroup": 187
},
{
"id": "jvasp-25217",
"created_at": "2022-09-04T14:38:28.768501Z",
"updated_at": "2022-09-04T14:38:28.768529Z",
"structure_string": "Bi2\n1.0\n3.958827 -0.075055 2.407910\n1.316986 3.734098 2.407910\n-0.108219 -0.075055 4.632345\nBi\n2\ndirect\n0.250001 0.250000 0.250000 Bi\n0.750002 0.749999 0.750001 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.857649573788386,
"density_atomic": 0.028406565073386143,
"volume": 70.40625977949661,
"volume_molar": 21.199820338862754,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy_above_hull": 0.0372643000000001,
"spacegroup": 221
},
{
"id": "jvasp-79650",
"created_at": "2022-09-04T14:37:11.911987Z",
"updated_at": "2022-09-04T14:37:11.911998Z",
"structure_string": "Bi4\n1.0\n0.000000 -4.631357 0.000000\n-1.358997 0.000000 -4.433582\n7.615071 0.000000 2.469343\nBi\n4\ndirect\n0.750000 0.999252 0.750926 Bi\n0.250000 0.000748 0.249073 Bi\n0.750000 0.502610 0.250944 Bi\n0.250000 0.497390 0.749055 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.856984345102074,
"density_atomic": 0.028404648098977085,
"volume": 140.8220227218393,
"volume_molar": 21.20125107347086,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy_above_hull": 0.0372342999999999,
"spacegroup": 221
},
{
"id": "jvasp-25234",
"created_at": "2022-09-04T14:38:30.377319Z",
"updated_at": "2022-09-04T14:38:30.377343Z",
"structure_string": "Bi2\n1.0\n3.267480 0.000000 -0.256784\n0.000000 3.277089 0.000000\n0.516334 0.000000 6.534696\nBi\n2\ndirect\n0.003528 0.000000 0.249979 Bi\n0.996470 0.000000 0.750022 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.85756501432915,
"density_atomic": 0.0284063214003114,
"volume": 70.40686373343911,
"volume_molar": 21.20000219364547,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy_above_hull": 0.0371543,
"spacegroup": 221
},
{
"id": "jvasp-29579",
"created_at": "2022-09-04T14:37:56.972078Z",
"updated_at": "2022-09-04T14:37:56.972094Z",
"structure_string": "Bi2\n1.0\n3.267481 0.000000 -0.258272\n0.000000 3.277103 0.000000\n0.513397 0.000000 6.534706\nBi\n2\ndirect\n0.004024 0.000000 0.249982 Bi\n0.995976 0.000000 0.750019 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.857500434033174,
"density_atomic": 0.02840613530073803,
"volume": 70.40732499602075,
"volume_molar": 21.20014108305517,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy_above_hull": 0.0371543,
"spacegroup": 221
},
{
"id": "jvasp-8351",
"created_at": "2022-09-04T14:37:11.227032Z",
"updated_at": "2022-09-04T14:37:11.227055Z",
"structure_string": "Ca1 Mn1 F6\n1.0\n4.655232 0.119871 3.147186\n1.733667 4.322031 3.147186\n0.172414 0.119871 5.616603\nCa Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Mn\n0.368984 0.065375 0.788211 F\n0.065376 0.788211 0.368985 F\n0.211789 0.631015 0.934625 F\n0.934624 0.211789 0.631017 F\n0.631016 0.934624 0.211790 F\n0.788211 0.368984 0.065376 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"F"
],
"chemical_system": "Ca-F-Mn",
"density": 3.200015113265568,
"density_atomic": 0.07376208779621936,
"volume": 108.45679994987935,
"volume_molar": 8.16427644596668,
"formula_full": "Ca1 Mn1 F6",
"formula_reduced": "CaMnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0370599195474136,
"spacegroup": 148
},
{
"id": "jvasp-111115",
"created_at": "2022-09-04T14:38:38.289243Z",
"updated_at": "2022-09-04T14:38:38.289258Z",
"structure_string": "Pm1 Se1\n1.0\n3.631064 -0.000000 2.096396\n1.210355 3.423400 2.096396\n0.000000 -0.000000 4.192792\nPm Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.500000 0.500001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"Se"
],
"chemical_system": "Pm-Se",
"density": 7.1355045628997615,
"density_atomic": 0.03837382826063092,
"volume": 52.1188552368613,
"volume_molar": 15.693354124322097,
"formula_full": "Pm1 Se1",
"formula_reduced": "PmSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0370122708333333,
"spacegroup": 225
},
{
"id": "jvasp-59643",
"created_at": "2022-09-04T14:37:35.877778Z",
"updated_at": "2022-09-04T14:37:35.877794Z",
"structure_string": "Pd4 F8\n1.0\n5.332388 -0.000000 -0.000000\n-0.000000 5.332388 0.000000\n0.000000 0.000000 5.332388\nPd F\n4 8\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.342772 0.157229 0.842772 F\n0.157229 0.842772 0.342772 F\n0.842772 0.342772 0.157229 F\n0.657229 0.657229 0.657229 F\n0.342772 0.342772 0.342772 F\n0.157229 0.657229 0.842772 F\n0.842772 0.157229 0.657229 F\n0.657229 0.842772 0.157229 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"F"
],
"chemical_system": "F-Pd",
"density": 6.326472118892998,
"density_atomic": 0.07914363967133523,
"volume": 151.62304955689623,
"volume_molar": 7.609127890767373,
"formula_full": "Pd4 F8",
"formula_reduced": "PdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0368739666666665,
"spacegroup": 205
},
{
"id": "jvasp-90459",
"created_at": "2022-09-04T14:35:45.187298Z",
"updated_at": "2022-09-04T14:35:45.187323Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 1.7874488358503926,
"density_atomic": 0.03539298789646594,
"volume": 226.03347373220268,
"volume_molar": 17.015067441088586,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0368617874999999,
"spacegroup": 38
},
{
"id": "jvasp-8043",
"created_at": "2022-09-04T14:37:09.958596Z",
"updated_at": "2022-09-04T14:37:09.958608Z",
"structure_string": "Cd1 S1\n1.0\n3.360719 0.000000 1.940312\n1.120240 3.168516 1.940312\n0.000000 0.000000 3.880624\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500001 0.499999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"S"
],
"chemical_system": "Cd-S",
"density": 5.805707284283138,
"density_atomic": 0.0483994386464088,
"volume": 41.322793320215474,
"volume_molar": 12.442583898536268,
"formula_full": "Cd1 S1",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0368299999999999,
"spacegroup": 225
}
]
}