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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3368",
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{
"id": "jvasp-64553",
"created_at": "2022-09-04T14:36:02.171371Z",
"updated_at": "2022-09-04T14:36:02.171398Z",
"structure_string": "Ba4 Ga1 Sb1\n1.0\n-0.000000 4.964871 4.964871\n4.964871 -0.000000 4.964871\n4.964871 4.964871 -0.000000\nBa Ga Sb\n4 1 1\ndirect\n0.121983 0.626006 0.626006 Ba\n0.626006 0.626006 0.626006 Ba\n0.626006 0.121983 0.626006 Ba\n0.626006 0.626006 0.121983 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-66053",
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"structure_string": "Ba1 Ga1 Sb1\n1.0\n0.000000 3.891047 3.891047\n3.891047 0.000000 3.891047\n3.891047 3.891047 0.000000\nBa Ga Sb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "jvasp-69146",
"created_at": "2022-09-04T14:35:43.463523Z",
"updated_at": "2022-09-04T14:35:43.463540Z",
"structure_string": "Ba1 Ga1 Sb2\n1.0\n4.314348 -0.000000 0.000000\n-0.000000 4.314348 0.000000\n-0.000000 0.000000 6.802727\nBa Ga Sb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.706570 Sb\n0.000000 0.000000 0.293430 Sb\n",
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"elements": [
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],
"chemical_system": "Ba-Ga-Sb",
"density": 5.90878218806435,
"density_atomic": 0.03158978011762986,
"volume": 126.62323020626694,
"volume_molar": 19.063572894700584,
"formula_full": "Ba1 Ga1 Sb2",
"formula_reduced": "BaGaSb2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-19109",
"created_at": "2022-09-04T14:37:04.944897Z",
"updated_at": "2022-09-04T14:37:04.944920Z",
"structure_string": "Ba2 Ga8 S14\n1.0\n5.967420 0.000000 0.000000\n0.000000 6.261993 0.000000\n0.000000 0.000000 14.812603\nBa Ga S\n2 8 14\ndirect\n0.450857 0.665977 0.500000 Ba\n0.950857 0.334022 0.000000 Ba\n0.340410 0.828134 0.880245 Ga\n0.840410 0.171866 0.619755 Ga\n0.840410 0.171866 0.380245 Ga\n0.340410 0.828134 0.119755 Ga\n0.356803 0.312210 0.751462 Ga\n0.856803 0.687790 0.748538 Ga\n0.856803 0.687790 0.251462 Ga\n0.356803 0.312210 0.248538 Ga\n0.958293 0.369252 0.500000 S\n0.458293 0.630748 0.000000 S\n0.949628 0.824159 0.612791 S\n0.449628 0.175841 0.887208 S\n0.956938 0.809032 0.114236 S\n0.456938 0.190968 0.385764 S\n0.461852 0.673259 0.744564 S\n0.956938 0.809032 0.885764 S\n0.961852 0.326741 0.244564 S\n0.461852 0.673259 0.255436 S\n0.449628 0.175841 0.112791 S\n0.961852 0.326741 0.755436 S\n0.456938 0.190968 0.614236 S\n0.949628 0.824159 0.387209 S\n",
"nsites": 24,
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"elements": [
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"Ga",
"S"
],
"chemical_system": "Ba-Ga-S",
"density": 3.844019890932154,
"density_atomic": 0.043359141545497075,
"volume": 553.5164937436923,
"volume_molar": 13.888975992942395,
"formula_full": "Ba2 Ga8 S14",
"formula_reduced": "BaGa4S7",
"formula_anonymous": "AB4C7",
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"spacegroup": 31
},
{
"id": "jvasp-66404",
"created_at": "2022-09-04T14:35:42.098918Z",
"updated_at": "2022-09-04T14:35:42.098945Z",
"structure_string": "Ba4 Ga1 Ru1\n1.0\n0.000000 4.813178 4.813178\n4.813178 0.000000 4.813178\n4.813178 4.813178 -0.000000\nBa Ga Ru\n4 1 1\ndirect\n0.123872 0.625376 0.625376 Ba\n0.625376 0.625376 0.625376 Ba\n0.625376 0.123872 0.625376 Ba\n0.625376 0.625376 0.123872 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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"Ga",
"Ru"
],
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"density": 5.361875762402938,
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"volume": 223.0107326958738,
"volume_molar": 22.38336705475477,
"formula_full": "Ba4 Ga1 Ru1",
"formula_reduced": "Ba4GaRu",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66399",
"created_at": "2022-09-04T14:36:19.729933Z",
"updated_at": "2022-09-04T14:36:19.729959Z",
"structure_string": "Ba4 Ga1 Rh1\n1.0\n-0.000000 4.817647 4.817647\n4.817647 0.000000 4.817647\n4.817647 4.817647 0.000000\nBa Ga Rh\n4 1 1\ndirect\n0.123771 0.625410 0.625410 Ba\n0.625410 0.625410 0.625410 Ba\n0.625410 0.123771 0.625410 Ba\n0.625410 0.625410 0.123771 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
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"elements": [
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"Ga",
"Rh"
],
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"density": 5.360597212486715,
"density_atomic": 0.026829731686164662,
"volume": 223.632501069477,
"volume_molar": 22.445773332520684,
"formula_full": "Ba4 Ga1 Rh1",
"formula_reduced": "Ba4GaRh",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-69077",
"created_at": "2022-09-04T14:36:17.440210Z",
"updated_at": "2022-09-04T14:36:17.440237Z",
"structure_string": "Ba1 Ga1 Re2\n1.0\n-1.992422 1.992422 5.481338\n1.992422 -1.992422 5.481338\n1.992422 1.992422 -5.481338\nBa Ga Re\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n",
"nsites": 4,
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"elements": [
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"Ga",
"Re"
],
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"density": 11.055192927980368,
"density_atomic": 0.04595690359660758,
"volume": 87.03806581728168,
"volume_molar": 13.103887095745366,
"formula_full": "Ba1 Ga1 Re2",
"formula_reduced": "BaGaRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.63787857375,
"spacegroup": 139
},
{
"id": "jvasp-65616",
"created_at": "2022-09-04T14:36:20.545107Z",
"updated_at": "2022-09-04T14:36:20.545134Z",
"structure_string": "Ba1 Ga1 Pt2\n1.0\n4.608025 0.000000 0.000000\n0.000000 4.608025 0.000000\n-0.000000 0.000000 4.230627\nBa Ga Pt\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.000000 0.500000 Ga\n0.500001 0.000000 0.000000 Pt\n0.000000 0.500001 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
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"density": 11.039454053592774,
"density_atomic": 0.04452722205108535,
"volume": 89.83268696643293,
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"formula_full": "Ba1 Ga1 Pt2",
"formula_reduced": "BaGaPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-66286",
"created_at": "2022-09-04T14:35:44.603800Z",
"updated_at": "2022-09-04T14:35:44.603833Z",
"structure_string": "Ba4 Ga1 Pt1\n1.0\n0.000000 4.810199 4.810199\n4.810199 0.000000 4.810199\n4.810199 4.810199 -0.000000\nBa Ga Pt\n4 1 1\ndirect\n0.123253 0.625583 0.625583 Ba\n0.625583 0.625583 0.625583 Ba\n0.625583 0.123253 0.625583 Ba\n0.625583 0.625583 0.123253 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
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"elements": [
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],
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"volume": 222.59690764630062,
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"formula_full": "Ba4 Ga1 Pt1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-64328",
"created_at": "2022-09-04T14:38:14.742936Z",
"updated_at": "2022-09-04T14:38:14.742961Z",
"structure_string": "Ba4 Ga1 Pd1\n1.0\n-0.000000 4.877887 4.877887\n4.877887 0.000000 4.877887\n4.877887 4.877887 -0.000000\nBa Ga Pd\n4 1 1\ndirect\n0.124575 0.625142 0.625142 Ba\n0.625142 0.625142 0.625142 Ba\n0.625142 0.124575 0.625142 Ba\n0.625142 0.625142 0.124575 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
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],
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},
{
"id": "jvasp-66596",
"created_at": "2022-09-04T14:36:16.068326Z",
"updated_at": "2022-09-04T14:36:16.068356Z",
"structure_string": "Ba1 Ga1 Pb1\n1.0\n0.000000 3.891826 3.891826\n3.891826 -0.000000 3.891826\n3.891826 3.891826 -0.000000\nBa Ga Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.500001 Pb\n",
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},
{
"id": "jvasp-65592",
"created_at": "2022-09-04T14:36:15.076474Z",
"updated_at": "2022-09-04T14:36:15.076493Z",
"structure_string": "Ba2 Ga1 Pb1\n1.0\n-0.000000 4.198947 4.198947\n4.198947 0.000000 4.198947\n4.198947 4.198947 -0.000000\nBa Ga Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Pb\n",
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]
}