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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4467",
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"results": [
{
"id": "jvasp-20387",
"created_at": "2022-09-04T14:37:36.585151Z",
"updated_at": "2022-09-04T14:37:36.585178Z",
"structure_string": "Pu1 S1\n1.0\n3.427725 -0.000000 1.978998\n1.142575 3.231690 1.978998\n-0.000000 -0.000000 3.957995\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"S"
],
"chemical_system": "Pu-S",
"density": 10.455613945839756,
"density_atomic": 0.04561619831258975,
"volume": 43.84407456085647,
"volume_molar": 13.201759424870643,
"formula_full": "Pu1 S1",
"formula_reduced": "PuS",
"formula_anonymous": "AB",
"energy_above_hull": 2.3487649999999998,
"spacegroup": 225
},
{
"id": "jvasp-85610",
"created_at": "2022-09-04T14:36:07.288408Z",
"updated_at": "2022-09-04T14:36:07.288424Z",
"structure_string": "Pu2 S4\n1.0\n3.936544 0.000000 -0.000000\n0.000000 3.936544 0.000000\n-0.000000 0.000000 7.712791\nPu S\n2 4\ndirect\n0.000000 0.000000 0.001576 Pu\n0.500000 0.500000 0.462424 Pu\n0.500000 0.500000 0.093829 S\n0.000000 0.500000 0.732000 S\n0.500000 0.000000 0.732000 S\n0.000000 0.000000 0.370171 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Pu-S",
"density": 8.561922529073811,
"density_atomic": 0.05020066465204566,
"volume": 119.5203298917976,
"volume_molar": 11.996137504834012,
"formula_full": "Pu2 S4",
"formula_reduced": "PuS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.9443566666666663,
"spacegroup": 129
},
{
"id": "jvasp-20574",
"created_at": "2022-09-04T14:38:10.861861Z",
"updated_at": "2022-09-04T14:38:10.861872Z",
"structure_string": "Pu1 S1\n1.0\n3.427725 -0.000000 1.978998\n1.142575 3.231690 1.978998\n0.000000 0.000000 3.957995\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"S"
],
"chemical_system": "Pu-S",
"density": 10.455613945839756,
"density_atomic": 0.04561619831258975,
"volume": 43.84407456085647,
"volume_molar": 13.201759424870643,
"formula_full": "Pu1 S1",
"formula_reduced": "PuS",
"formula_anonymous": "AB",
"energy_above_hull": 2.3487649999999998,
"spacegroup": 225
},
{
"id": "jvasp-17554",
"created_at": "2022-09-04T14:38:30.792909Z",
"updated_at": "2022-09-04T14:38:30.792926Z",
"structure_string": "Pu1 Sb1\n1.0\n3.598046 -0.000000 0.000000\n-0.000000 3.598046 0.000000\n-0.000000 0.000000 4.097518\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500001 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.449618423327582,
"density_atomic": 0.0377029821836155,
"volume": 53.04620176356064,
"volume_molar": 15.972584690176122,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.90113305,
"spacegroup": 123
},
{
"id": "jvasp-78770",
"created_at": "2022-09-04T14:36:36.109778Z",
"updated_at": "2022-09-04T14:36:36.109793Z",
"structure_string": "Pu1 Sb1\n1.0\n3.767881 -0.000000 -0.000000\n-0.000000 3.767881 -0.000000\n0.000000 -0.000000 3.767881\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.354127631059479,
"density_atomic": 0.03738853610284059,
"volume": 53.49233236890626,
"volume_molar": 16.106917755312885,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.91117305,
"spacegroup": 221
},
{
"id": "jvasp-4969",
"created_at": "2022-09-04T14:38:35.530003Z",
"updated_at": "2022-09-04T14:38:35.530023Z",
"structure_string": "Pu1 Sb1\n1.0\n3.598063 -0.000000 -0.000000\n-0.000000 3.598063 0.000000\n-0.000000 -0.000000 4.097430\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.449756129806525,
"density_atomic": 0.03770343564369864,
"volume": 53.04556377567833,
"volume_molar": 15.9723925875346,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.90113305,
"spacegroup": 123
},
{
"id": "jvasp-18025",
"created_at": "2022-09-04T14:38:15.817631Z",
"updated_at": "2022-09-04T14:38:15.817655Z",
"structure_string": "Pu1 Sb1\n1.0\n3.767890 -0.000000 0.000000\n0.000000 3.767890 0.000000\n-0.000000 0.000000 3.767890\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.354046269683806,
"density_atomic": 0.03738826818417431,
"volume": 53.49271568685707,
"volume_molar": 16.107033175045668,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.91117805,
"spacegroup": 221
},
{
"id": "jvasp-38367",
"created_at": "2022-09-04T14:37:53.332230Z",
"updated_at": "2022-09-04T14:37:53.332256Z",
"structure_string": "Pu3 Sc1\n1.0\n0.000000 3.478651 3.478651\n3.478651 0.000000 3.478651\n3.478651 3.478651 0.000000\nPu Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Sc"
],
"chemical_system": "Pu-Sc",
"density": 15.32437948439738,
"density_atomic": 0.047511354979734896,
"volume": 84.19040041493507,
"volume_molar": 12.675161048487535,
"formula_full": "Pu3 Sc1",
"formula_reduced": "Pu3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 6.6905463125,
"spacegroup": 225
},
{
"id": "jvasp-20655",
"created_at": "2022-09-04T14:38:10.863547Z",
"updated_at": "2022-09-04T14:38:10.863574Z",
"structure_string": "Pu1 Se1\n1.0\n3.586514 0.000000 2.070675\n1.195504 3.381398 2.070675\n0.000000 0.000000 4.141350\nPu Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.499999 0.500000 0.499999 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Se"
],
"chemical_system": "Pu-Se",
"density": 10.677930164423092,
"density_atomic": 0.039821648809653144,
"volume": 50.223937475817955,
"volume_molar": 15.122781050040741,
"formula_full": "Pu1 Se1",
"formula_reduced": "PuSe",
"formula_anonymous": "AB",
"energy_above_hull": 2.3341966833333334,
"spacegroup": 225
},
{
"id": "jvasp-20749",
"created_at": "2022-09-04T14:37:33.094530Z",
"updated_at": "2022-09-04T14:37:33.094557Z",
"structure_string": "Pu1 Se1\n1.0\n3.586514 0.000000 2.070675\n1.195504 3.381398 2.070675\n0.000000 0.000000 4.141350\nPu Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.499999 0.500000 0.499999 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Se"
],
"chemical_system": "Pu-Se",
"density": 10.677930164423092,
"density_atomic": 0.039821648809653144,
"volume": 50.223937475817955,
"volume_molar": 15.122781050040741,
"formula_full": "Pu1 Se1",
"formula_reduced": "PuSe",
"formula_anonymous": "AB",
"energy_above_hull": 2.334191683333333,
"spacegroup": 225
},
{
"id": "jvasp-14310",
"created_at": "2022-09-04T14:36:31.969551Z",
"updated_at": "2022-09-04T14:36:31.969576Z",
"structure_string": "Pu4 Si4\n1.0\n3.866853 0.000000 0.000000\n-0.000000 5.657819 0.000000\n0.000000 0.000000 8.045818\nPu Si\n4 4\ndirect\n0.250000 0.389938 0.682075 Pu\n0.749999 0.610063 0.317925 Pu\n0.749999 0.889938 0.817925 Pu\n0.250000 0.110062 0.182075 Pu\n0.250000 0.874688 0.531279 Si\n0.749999 0.125312 0.468722 Si\n0.749999 0.374688 0.968722 Si\n0.250000 0.625312 0.031278 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Si"
],
"chemical_system": "Pu-Si",
"density": 10.266858346854045,
"density_atomic": 0.04544782147457513,
"volume": 176.02603910234595,
"volume_molar": 13.250669811244894,
"formula_full": "Pu4 Si4",
"formula_reduced": "PuSi",
"formula_anonymous": "AB",
"energy_above_hull": 3.4957293,
"spacegroup": 62
},
{
"id": "jvasp-15916",
"created_at": "2022-09-04T14:37:53.942990Z",
"updated_at": "2022-09-04T14:37:53.943016Z",
"structure_string": "Pu1 Si2\n1.0\n2.043371 -3.539223 -0.000000\n2.043371 3.539223 -0.000000\n-0.000000 0.000000 3.902375\nPu Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.666667 0.333333 0.499999 Si\n0.333333 0.666667 0.499999 Si\n",
"nsites": 3,
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"elements": [
"Pu",
"Si"
],
"chemical_system": "Pu-Si",
"density": 8.830873833059037,
"density_atomic": 0.05315046950724127,
"volume": 56.443527739510884,
"volume_molar": 11.330362301276638,
"formula_full": "Pu1 Si2",
"formula_reduced": "PuSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.071335733333333,
"spacegroup": 191
}
]
}