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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=177",
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"results": [
{
"id": "jvasp-106007",
"created_at": "2022-09-04T14:35:53.433788Z",
"updated_at": "2022-09-04T14:35:53.433804Z",
"structure_string": "Pu1 Zr1\n1.0\n3.080651 0.234140 5.237824\n1.604510 2.640223 5.237824\n0.381643 0.234140 6.064615\nPu Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.499999 0.500001 Zr\n",
"nsites": 2,
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"elements": [
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],
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"density": 13.768710591869121,
"density_atomic": 0.049469675975821026,
"volume": 40.42880735619791,
"volume_molar": 12.173398432897365,
"formula_full": "Pu1 Zr1",
"formula_reduced": "PuZr",
"formula_anonymous": "AB",
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{
"id": "jvasp-18787",
"created_at": "2022-09-04T14:35:47.016044Z",
"updated_at": "2022-09-04T14:35:47.016079Z",
"structure_string": "Pu2 Zn4\n1.0\n4.707111 -0.000000 2.717652\n1.569037 4.437907 2.717652\n0.000000 -0.000000 5.435304\nPu Zn\n2 4\ndirect\n0.125000 0.125000 0.125000 Pu\n0.875000 0.875001 0.874998 Pu\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.499999 Zn\n0.500000 0.500000 0.499999 Zn\n0.500000 0.500000 -0.000001 Zn\n",
"nsites": 6,
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],
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"density": 10.963344370151766,
"density_atomic": 0.05284388931712742,
"volume": 113.54198333117995,
"volume_molar": 11.396096763165653,
"formula_full": "Pu2 Zn4",
"formula_reduced": "PuZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3470236000000004,
"spacegroup": 227
},
{
"id": "jvasp-37497",
"created_at": "2022-09-04T14:38:05.570370Z",
"updated_at": "2022-09-04T14:38:05.570402Z",
"structure_string": "Yb1 Pu3\n1.0\n-2.388581 2.388581 4.782096\n2.388581 -2.388581 4.782096\n2.388581 2.388581 -4.782096\nYb Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.749999 0.250000 0.499999 Pu\n0.250000 0.749999 0.499999 Pu\n0.500000 0.500000 -0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Pu"
],
"chemical_system": "Pu-Yb",
"density": 13.770783269076958,
"density_atomic": 0.036652344758460666,
"volume": 109.13353637700513,
"volume_molar": 16.430437942472633,
"formula_full": "Yb1 Pu3",
"formula_reduced": "YbPu3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.797685175,
"spacegroup": 139
},
{
"id": "jvasp-104881",
"created_at": "2022-09-04T14:38:46.305420Z",
"updated_at": "2022-09-04T14:38:46.305453Z",
"structure_string": "Y2 Pu6\n1.0\n6.824153 0.000000 0.000000\n-3.412077 5.909890 0.000000\n-0.000000 -0.000000 5.477703\nY Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.162991 0.325984 0.250000 Pu\n0.674015 0.837009 0.250000 Pu\n0.162991 0.837009 0.250000 Pu\n0.837008 0.674016 0.750000 Pu\n0.325984 0.162991 0.750000 Pu\n0.837008 0.162991 0.750000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Pu"
],
"chemical_system": "Pu-Y",
"density": 12.340870917239801,
"density_atomic": 0.03621290397201641,
"volume": 220.91572678573402,
"volume_molar": 16.62982003501741,
"formula_full": "Y2 Pu6",
"formula_reduced": "YPu3",
"formula_anonymous": "AB3",
"energy_above_hull": 6.6955888625,
"spacegroup": 194
},
{
"id": "jvasp-122972",
"created_at": "2022-09-04T14:38:54.649625Z",
"updated_at": "2022-09-04T14:38:54.649652Z",
"structure_string": "Pu1 V1\n1.0\n3.321424 0.000000 0.000000\n0.000000 3.321424 0.000000\n-0.000000 0.000000 3.321424\nPu V\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.499999 0.499999 0.499999 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"V"
],
"chemical_system": "Pu-V",
"density": 13.366325214373706,
"density_atomic": 0.05458295418766949,
"volume": 36.641475892336516,
"volume_molar": 11.033006273889855,
"formula_full": "Pu1 V1",
"formula_reduced": "PuV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-37367",
"created_at": "2022-09-04T14:37:59.410154Z",
"updated_at": "2022-09-04T14:37:59.410179Z",
"structure_string": "Tm1 Pu3\n1.0\n-2.381736 2.381736 4.730952\n2.381736 -2.381736 4.730952\n2.381736 2.381736 -4.730952\nTm Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750002 0.250001 0.500001 Pu\n0.250001 0.750002 0.500001 Pu\n0.500000 0.500000 -0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Pu"
],
"chemical_system": "Pu-Tm",
"density": 13.936265142558929,
"density_atomic": 0.03726183308598057,
"volume": 107.34844930387936,
"volume_molar": 16.16168680189214,
"formula_full": "Tm1 Pu3",
"formula_reduced": "TmPu3",
"formula_anonymous": "AB3",
"energy_above_hull": 6.3092510625,
"spacegroup": 139
},
{
"id": "jvasp-106991",
"created_at": "2022-09-04T14:37:58.795667Z",
"updated_at": "2022-09-04T14:37:58.795693Z",
"structure_string": "Tm2 Pu6\n1.0\n6.780811 0.000000 0.000000\n-3.390406 5.872355 0.000000\n-0.000000 -0.000000 5.439570\nTm Pu\n2 6\ndirect\n0.333333 0.666666 0.750000 Tm\n0.666666 0.333333 0.250000 Tm\n0.164086 0.328171 0.250000 Pu\n0.671827 0.835913 0.250000 Pu\n0.164085 0.835913 0.250000 Pu\n0.835913 0.671828 0.750000 Pu\n0.328171 0.164086 0.750000 Pu\n0.835913 0.164086 0.750000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Pu"
],
"chemical_system": "Pu-Tm",
"density": 13.813815773625832,
"density_atomic": 0.03693443633369469,
"volume": 216.60002951504984,
"volume_molar": 16.304948329497307,
"formula_full": "Tm2 Pu6",
"formula_reduced": "TmPu3",
"formula_anonymous": "AB3",
"energy_above_hull": 6.2994360625,
"spacegroup": 194
},
{
"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,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 14.449957229210646,
"density_atomic": 0.036106324034699724,
"volume": 110.78391686054302,
"volume_molar": 16.678908531958186,
"formula_full": "Pu3 Th1",
"formula_reduced": "Pu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 6.8193714,
"spacegroup": 139
},
{
"id": "jvasp-106590",
"created_at": "2022-09-04T14:36:58.287732Z",
"updated_at": "2022-09-04T14:36:58.287764Z",
"structure_string": "Pu6 Th2\n1.0\n6.815918 -0.000000 0.000000\n-3.407959 5.902759 0.000000\n-0.000000 -0.000000 5.462491\nPu Th\n6 2\ndirect\n0.162687 0.325375 0.250000 Pu\n0.674625 0.837313 0.250000 Pu\n0.162687 0.837313 0.250000 Pu\n0.837313 0.674625 0.750000 Pu\n0.325375 0.162687 0.750000 Pu\n0.837313 0.162687 0.750000 Pu\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 14.568107240881233,
"density_atomic": 0.03640154723421606,
"volume": 219.77087810378308,
"volume_molar": 16.543639536122296,
"formula_full": "Pu6 Th2",
"formula_reduced": "Pu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 6.8039339,
"spacegroup": 194
},
{
"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": [
"Pu",
"Te"
],
"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-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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pu-Te",
"density": 9.334113292437493,
"density_atomic": 0.03378085585112444,
"volume": 177.61539335896612,
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"formula_full": "Pu2 Te4",
"formula_reduced": "PuTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.561881844444444,
"spacegroup": 129
},
{
"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,
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"elements": [
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],
"chemical_system": "Pu-Te",
"density": 11.260233794754965,
"density_atomic": 0.03649661621418583,
"volume": 54.799600824983386,
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"formula_full": "Pu1 Te1",
"formula_reduced": "PuTe",
"formula_anonymous": "AB",
"energy_above_hull": 2.454363883333333,
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}
]
}