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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4468",
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"results": [
{
"id": "jvasp-40611",
"created_at": "2022-09-04T14:37:45.878418Z",
"updated_at": "2022-09-04T14:37:45.878437Z",
"structure_string": "Pu2 Si6\n1.0\n2.964849 -5.135269 -0.000000\n2.964849 5.135269 -0.000000\n-0.000000 -0.000000 4.503033\nPu Si\n2 6\ndirect\n0.666667 0.333333 0.250000 Pu\n0.333333 0.666667 0.749999 Pu\n0.855348 0.710695 0.749999 Si\n0.855348 0.144653 0.749999 Si\n0.289305 0.144653 0.749999 Si\n0.144653 0.289305 0.250000 Si\n0.144653 0.855348 0.250000 Si\n0.710695 0.855348 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 7.950446594772826,
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"volume": 137.1200310869978,
"volume_molar": 10.321951602768458,
"formula_full": "Pu2 Si6",
"formula_reduced": "PuSi3",
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},
{
"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": [
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],
"chemical_system": "Pu-Si",
"density": 8.830873833059037,
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"volume": 56.443527739510884,
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"formula_full": "Pu1 Si2",
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},
{
"id": "jvasp-17802",
"created_at": "2022-09-04T14:38:14.817004Z",
"updated_at": "2022-09-04T14:38:14.817024Z",
"structure_string": "Pu4 Si4\n1.0\n3.866102 -0.000000 0.000000\n0.000000 5.658257 0.000000\n0.000000 0.000000 8.048513\nPu Si\n4 4\ndirect\n0.250000 0.389921 0.682143 Pu\n0.750000 0.610080 0.317857 Pu\n0.750000 0.889921 0.817857 Pu\n0.250000 0.110079 0.182143 Pu\n0.250000 0.874632 0.531244 Si\n0.750000 0.125369 0.468756 Si\n0.750000 0.374632 0.968755 Si\n0.250000 0.625369 0.031244 Si\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Pu-Si",
"density": 10.264619605935607,
"density_atomic": 0.045437911344898496,
"volume": 176.06443085104954,
"volume_molar": 13.253559817678838,
"formula_full": "Pu4 Si4",
"formula_reduced": "PuSi",
"formula_anonymous": "AB",
"energy_above_hull": 3.4957293,
"spacegroup": 62
},
{
"id": "jvasp-99937",
"created_at": "2022-09-04T14:36:40.052865Z",
"updated_at": "2022-09-04T14:36:40.052885Z",
"structure_string": "Sm3 Pu1\n1.0\n3.372419 -0.000000 -0.000000\n-1.686209 2.920601 0.000000\n-0.000000 -0.000000 11.525112\nSm Pu\n3 1\ndirect\n0.333333 0.666667 0.000000 Sm\n0.000000 0.000000 0.734206 Sm\n0.000000 0.000000 0.265794 Sm\n0.666667 0.333333 0.500000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pu"
],
"chemical_system": "Pu-Sm",
"density": 10.16775278491291,
"density_atomic": 0.03523717471645733,
"volume": 113.516478894428,
"volume_molar": 17.090305362045367,
"formula_full": "Sm3 Pu1",
"formula_reduced": "Sm3Pu",
"formula_anonymous": "AB3",
"energy_above_hull": 3.25677665625,
"spacegroup": 187
},
{
"id": "jvasp-55160",
"created_at": "2022-09-04T14:38:29.868294Z",
"updated_at": "2022-09-04T14:38:29.868315Z",
"structure_string": "Pu3 Sn1\n1.0\n4.698357 0.000000 0.000000\n0.000000 4.698357 0.000000\n0.000000 -0.000000 4.698357\nPu Sn\n3 1\ndirect\n0.500000 0.000000 0.500000 Pu\n0.000000 0.500000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Sn"
],
"chemical_system": "Pu-Sn",
"density": 13.620485743991313,
"density_atomic": 0.038567541182417,
"volume": 103.71415644779569,
"volume_molar": 15.614531223332182,
"formula_full": "Pu3 Sn1",
"formula_reduced": "Pu3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 5.970902925000001,
"spacegroup": 221
},
{
"id": "jvasp-20650",
"created_at": "2022-09-04T14:38:03.793934Z",
"updated_at": "2022-09-04T14:38:03.793960Z",
"structure_string": "Pu1 Sn3\n1.0\n4.681288 0.000000 -0.000000\n-0.000000 4.681288 0.000000\n0.000000 0.000000 4.681288\nPu Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Sn"
],
"chemical_system": "Pu-Sn",
"density": 9.71400569082204,
"density_atomic": 0.038990958381542276,
"volume": 102.5878861673105,
"volume_molar": 15.444967269260017,
"formula_full": "Pu1 Sn3",
"formula_reduced": "PuSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.199338775,
"spacegroup": 221
},
{
"id": "jvasp-106757",
"created_at": "2022-09-04T14:38:46.811726Z",
"updated_at": "2022-09-04T14:38:46.811753Z",
"structure_string": "Pu1 U1 Sn6\n1.0\n4.630144 0.000000 0.000000\n0.000000 4.630144 0.000000\n0.000000 -0.000000 9.221014\nPu U Sn\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.247880 Sn\n0.500000 0.000000 0.752120 Sn\n-0.000000 0.500000 0.247880 Sn\n-0.000000 0.500000 0.752120 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"U",
"Sn"
],
"chemical_system": "Pu-Sn-U",
"density": 10.032076137674771,
"density_atomic": 0.040468984769852785,
"volume": 197.68225087671507,
"volume_molar": 14.880879256665146,
"formula_full": "Pu1 U1 Sn6",
"formula_reduced": "PuUSn6",
"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-104871",
"created_at": "2022-09-04T14:36:54.234126Z",
"updated_at": "2022-09-04T14:36:54.234148Z",
"structure_string": "Pu3 Ta1\n1.0\n4.149435 0.095592 -3.635597\n-0.791542 4.074360 -3.635597\n-0.076977 -0.095592 5.516290\nPu Ta\n3 1\ndirect\n0.749999 0.250000 0.499999 Pu\n0.250000 0.750000 0.499999 Pu\n0.500000 0.500000 -0.000001 Pu\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Ta"
],
"chemical_system": "Pu-Ta",
"density": 16.687284203884627,
"density_atomic": 0.04403019125807973,
"volume": 90.84675504937724,
"volume_molar": 13.677298662414762,
"formula_full": "Pu3 Ta1",
"formula_reduced": "Pu3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": 7.657249800000001,
"spacegroup": 139
},
{
"id": "jvasp-17708",
"created_at": "2022-09-04T14:38:29.808300Z",
"updated_at": "2022-09-04T14:38:29.808323Z",
"structure_string": "Pu1 Te1\n1.0\n3.798328 -0.000000 0.000000\n0.000000 3.798328 0.000000\n-0.000000 -0.000000 3.798328\nPu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Te"
],
"chemical_system": "Pu-Te",
"density": 11.260233794754965,
"density_atomic": 0.03649661621418583,
"volume": 54.799600824983386,
"volume_molar": 16.500545487993104,
"formula_full": "Pu1 Te1",
"formula_reduced": "PuTe",
"formula_anonymous": "AB",
"energy_above_hull": 2.454363883333333,
"spacegroup": 221
},
{
"id": "jvasp-97970",
"created_at": "2022-09-04T14:35:58.171425Z",
"updated_at": "2022-09-04T14:35:58.171449Z",
"structure_string": "Pu2 Te4\n1.0\n4.451110 -0.000000 -0.000000\n0.000000 4.451110 0.000000\n-0.000000 -0.000000 8.964869\nPu Te\n2 4\ndirect\n0.750000 0.750000 0.724305 Pu\n0.250000 0.250000 0.275696 Pu\n0.750000 0.750000 0.364808 Te\n0.250000 0.250000 0.635192 Te\n0.750000 0.250000 0.000000 Te\n0.250000 0.750000 0.000000 Te\n",
"nsites": 6,
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"elements": [
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"Te"
],
"chemical_system": "Pu-Te",
"density": 9.334113292437493,
"density_atomic": 0.03378085585112444,
"volume": 177.61539335896612,
"volume_molar": 17.827081665841053,
"formula_full": "Pu2 Te4",
"formula_reduced": "PuTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.561881844444444,
"spacegroup": 129
},
{
"id": "jvasp-85850",
"created_at": "2022-09-04T14:35:54.362989Z",
"updated_at": "2022-09-04T14:35:54.363022Z",
"structure_string": "Pu1 Te1\n1.0\n3.839337 -0.000000 2.216643\n1.279779 3.619762 2.216643\n-0.000000 -0.000000 4.433284\nPu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.499999 Te\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Pu-Te",
"density": 10.01527776435664,
"density_atomic": 0.03246147065032121,
"volume": 61.61150311223529,
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"formula_full": "Pu1 Te1",
"formula_reduced": "PuTe",
"formula_anonymous": "AB",
"energy_above_hull": 2.409588883333333,
"spacegroup": 225
},
{
"id": "jvasp-102976",
"created_at": "2022-09-04T14:36:51.973163Z",
"updated_at": "2022-09-04T14:36:51.973184Z",
"structure_string": "Pu3 Th1\n1.0\n4.374880 -0.015897 -3.934406\n-0.879055 4.285685 -3.934406\n0.013016 0.015897 5.883788\nPu Th\n3 1\ndirect\n0.750001 0.250000 0.500001 Pu\n0.250001 0.749999 0.500001 Pu\n0.500000 0.499999 -0.000001 Pu\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
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"elements": [
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],
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"density": 14.449957229210646,
"density_atomic": 0.036106324034699724,
"volume": 110.78391686054302,
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"formula_full": "Pu3 Th1",
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"energy_above_hull": 6.8193714,
"spacegroup": 139
}
]
}