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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=928",
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{
"id": "jvasp-66352",
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"structure_string": "Ba4 Pt1 Pb1\n1.0\n0.000000 4.841492 4.841492\n4.841492 -0.000000 4.841492\n4.841492 4.841492 -0.000000\nBa Pt Pb\n4 1 1\ndirect\n0.123538 0.625487 0.625487 Ba\n0.625487 0.625487 0.625487 Ba\n0.625487 0.123538 0.625487 Ba\n0.625487 0.625487 0.123538 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pb\n",
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{
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"structure_string": "Ba4 Re1 Pb1\n1.0\n-0.000000 4.803557 4.803557\n4.803557 -0.000000 4.803557\n4.803557 4.803557 0.000000\nBa Re Pb\n4 1 1\ndirect\n0.123035 0.625655 0.625655 Ba\n0.625655 0.625655 0.625655 Ba\n0.625655 0.123035 0.625655 Ba\n0.625655 0.625655 0.123035 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pb\n",
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"formula_full": "Ba4 Re1 Pb1",
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{
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"structure_string": "Ba4 Rh1 Pb1\n1.0\n-0.000000 4.846043 4.846043\n4.846043 0.000000 4.846043\n4.846043 4.846043 -0.000000\nBa Rh Pb\n4 1 1\ndirect\n0.124204 0.625265 0.625265 Ba\n0.625265 0.625265 0.625265 Ba\n0.625265 0.124204 0.625265 Ba\n0.625265 0.625265 0.124204 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"density_atomic": 0.026360853314909272,
"volume": 227.61023432448968,
"volume_molar": 22.845014491977675,
"formula_full": "Ba4 Rh1 Pb1",
"formula_reduced": "Ba4RhPb",
"formula_anonymous": "ABC4",
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{
"id": "jvasp-66607",
"created_at": "2022-09-04T14:35:41.807615Z",
"updated_at": "2022-09-04T14:35:41.807645Z",
"structure_string": "Ba4 Ru1 Pb1\n1.0\n-0.000000 4.859335 4.859335\n4.859335 -0.000000 4.859335\n4.859335 4.859335 -0.000000\nBa Ru Pb\n4 1 1\ndirect\n0.124565 0.625146 0.625146 Ba\n0.625146 0.625146 0.625146 Ba\n0.625146 0.124565 0.625146 Ba\n0.625146 0.625146 0.124565 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ru",
"Pb"
],
"chemical_system": "Ba-Pb-Ru",
"density": 6.205291856125117,
"density_atomic": 0.026145125710347814,
"volume": 229.4882826906928,
"volume_molar": 23.03351235223373,
"formula_full": "Ba4 Ru1 Pb1",
"formula_reduced": "Ba4RuPb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64275",
"created_at": "2022-09-04T14:36:00.386368Z",
"updated_at": "2022-09-04T14:36:00.386396Z",
"structure_string": "Ba4 Sb1 Pb1\n1.0\n0.000000 4.973956 4.973956\n4.973956 0.000000 4.973956\n4.973956 4.973956 0.000000\nBa Sb Pb\n4 1 1\ndirect\n0.123087 0.625638 0.625638 Ba\n0.625638 0.625638 0.625638 Ba\n0.625638 0.123087 0.625638 Ba\n0.625638 0.625638 0.123087 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.925709319448013,
"density_atomic": 0.024378974734517396,
"volume": 246.11371336731384,
"volume_molar": 24.702190414404296,
"formula_full": "Ba4 Sb1 Pb1",
"formula_reduced": "Ba4SbPb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66459",
"created_at": "2022-09-04T14:35:55.989544Z",
"updated_at": "2022-09-04T14:35:55.989573Z",
"structure_string": "Ba1 Sb1 Pb1\n1.0\n0.000000 3.969900 3.969900\n3.969900 -0.000000 3.969900\n3.969900 3.969900 0.000000\nBa Sb Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
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"volume": 125.132089698198,
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"formula_full": "Ba1 Sb1 Pb1",
"formula_reduced": "BaSbPb",
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},
{
"id": "jvasp-65782",
"created_at": "2022-09-04T14:36:13.918787Z",
"updated_at": "2022-09-04T14:36:13.918810Z",
"structure_string": "Ba1 Sc1 Pb2\n1.0\n4.238483 0.000000 0.000000\n0.000000 4.238483 0.000000\n0.000000 -0.000000 7.896728\nBa Sc Pb\n1 1 2\ndirect\n0.500000 0.500000 0.766213 Ba\n0.000000 0.000000 0.383116 Sc\n0.000000 0.000000 0.022501 Pb\n0.500000 0.500000 0.328170 Pb\n",
"nsites": 4,
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"formula_full": "Ba1 Sc1 Pb2",
"formula_reduced": "BaScPb2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
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{
"id": "jvasp-69078",
"created_at": "2022-09-04T14:36:19.802314Z",
"updated_at": "2022-09-04T14:36:19.802339Z",
"structure_string": "Ba1 Sc1 Pb2\n1.0\n4.236087 0.000000 0.000000\n0.000000 4.236087 -0.000000\n0.000000 0.000000 7.921105\nBa Sc Pb\n1 1 2\ndirect\n0.500000 0.500000 0.766266 Ba\n0.000000 0.000000 0.381903 Sc\n0.000000 0.000000 0.022147 Pb\n0.500000 0.500000 0.329683 Pb\n",
"nsites": 4,
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"formula_full": "Ba1 Sc1 Pb2",
"formula_reduced": "BaScPb2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-69330",
"created_at": "2022-09-04T14:36:02.104456Z",
"updated_at": "2022-09-04T14:36:02.104466Z",
"structure_string": "Ba2 Sc1 Pb1\n1.0\n0.000000 4.246577 4.246577\n4.246577 -0.000000 4.246577\n4.246577 4.246577 0.000000\nBa Sc Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Pb\n",
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"formula_full": "Ba2 Sc1 Pb1",
"formula_reduced": "Ba2ScPb",
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},
{
"id": "jvasp-64148",
"created_at": "2022-09-04T14:36:00.238903Z",
"updated_at": "2022-09-04T14:36:00.238940Z",
"structure_string": "Ba4 Sc1 Pb1\n1.0\n0.000000 5.073176 5.073176\n5.073176 0.000000 5.073176\n5.073176 5.073176 0.000000\nBa Sc Pb\n4 1 1\ndirect\n0.127034 0.624322 0.624322 Ba\n0.624322 0.624322 0.624322 Ba\n0.624322 0.127034 0.624322 Ba\n0.624322 0.624322 0.127034 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pb\n",
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},
{
"id": "jvasp-65556",
"created_at": "2022-09-04T14:36:15.931193Z",
"updated_at": "2022-09-04T14:36:15.931214Z",
"structure_string": "Ba2 Pb1 Se1\n1.0\n0.000000 4.170866 4.170866\n4.170866 -0.000000 4.170866\n4.170866 4.170866 0.000000\nBa Pb Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Pb\n0.500001 0.500001 0.500001 Se\n",
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},
{
"id": "jvasp-66130",
"created_at": "2022-09-04T14:35:43.919451Z",
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"structure_string": "Ba1 Pb1 Se1\n1.0\n0.000000 3.895647 3.895647\n3.895647 -0.000000 3.895647\n3.895647 3.895647 -0.000000\nBa Pb Se\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Se\n",
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}