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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=89",
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"results": [
{
"id": "jvasp-14755",
"created_at": "2022-09-04T14:38:31.528674Z",
"updated_at": "2022-09-04T14:38:31.528694Z",
"structure_string": "Ta3 Si6\n1.0\n2.418550 -4.189051 0.000000\n2.418550 4.189051 0.000000\n-0.000000 0.000000 6.626049\nTa Si\n3 6\ndirect\n0.000000 0.500000 0.166667 Ta\n0.500000 0.500000 0.833333 Ta\n0.500000 0.000000 0.500000 Ta\n0.840540 0.681082 0.500000 Si\n0.159460 0.840540 0.833333 Si\n0.681082 0.840540 0.166667 Si\n0.159460 0.318918 0.500000 Si\n0.840540 0.159460 0.833333 Si\n0.318918 0.159460 0.166667 Si\n",
"nsites": 9,
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"elements": [
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"formula_full": "Ta3 Si6",
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"spacegroup": 180
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{
"id": "jvasp-93345",
"created_at": "2022-09-04T14:35:56.461380Z",
"updated_at": "2022-09-04T14:35:56.461409Z",
"structure_string": "Ta4 Si2\n1.0\n-3.097108 3.097108 -2.552367\n3.097108 -3.097108 -2.552367\n-3.097108 -3.097108 2.552367\nTa Si\n4 2\ndirect\n0.837341 0.337340 0.174679 Ta\n0.162660 0.662661 0.825322 Ta\n0.662661 0.837341 0.500000 Ta\n0.337340 0.162660 0.500000 Ta\n0.750001 0.750001 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
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"formula_full": "Ta4 Si2",
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"spacegroup": 140
},
{
"id": "jvasp-16413",
"created_at": "2022-09-04T14:38:32.147217Z",
"updated_at": "2022-09-04T14:38:32.147247Z",
"structure_string": "Ta3 Si6\n1.0\n2.418550 -4.189051 -0.000000\n2.418550 4.189051 0.000000\n0.000000 -0.000000 6.626054\nTa Si\n3 6\ndirect\n0.000000 0.500000 0.833333 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.166667 Ta\n0.840541 0.159459 0.166667 Si\n0.159459 0.318918 0.500000 Si\n0.681082 0.840541 0.833333 Si\n0.159459 0.840541 0.166667 Si\n0.840541 0.681082 0.500000 Si\n0.318918 0.159459 0.833333 Si\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"chemical_system": "Si-Ta",
"density": 8.7979360851257,
"density_atomic": 0.06703271732780607,
"volume": 134.2627952256186,
"volume_molar": 8.983882796441458,
"formula_full": "Ta3 Si6",
"formula_reduced": "TaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.7270088,
"spacegroup": 181
},
{
"id": "jvasp-58240",
"created_at": "2022-09-04T14:37:50.012709Z",
"updated_at": "2022-09-04T14:37:50.012723Z",
"structure_string": "Ta10 Si6\n1.0\n3.771504 -6.532437 0.000000\n3.771504 6.532437 0.000000\n0.000000 -0.000000 5.282043\nTa Si\n10 6\ndirect\n-0.000000 0.243839 0.250000 Ta\n-0.000001 0.756160 0.750000 Ta\n0.756160 -0.000001 0.750000 Ta\n0.756160 0.756160 0.250000 Ta\n0.243839 -0.000000 0.250000 Ta\n0.243839 0.243839 0.750000 Ta\n0.333332 0.666667 0.500000 Ta\n0.666667 0.333332 0.000000 Ta\n0.666667 0.333332 0.500000 Ta\n0.333332 0.666667 0.000000 Ta\n0.395561 0.395561 0.250000 Si\n0.395562 -0.000000 0.750000 Si\n-0.000000 0.395562 0.750000 Si\n-0.000000 0.604438 0.250000 Si\n0.604438 -0.000000 0.250000 Si\n0.604437 0.604437 0.750000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"chemical_system": "Si-Ta",
"density": 12.61978202411762,
"density_atomic": 0.061474959591656435,
"volume": 260.26857286737555,
"volume_molar": 9.796087382572829,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.206845225,
"spacegroup": 193
},
{
"id": "jvasp-15059",
"created_at": "2022-09-04T14:36:21.169584Z",
"updated_at": "2022-09-04T14:36:21.169605Z",
"structure_string": "Ta4 Si2\n1.0\n4.905475 0.013754 -1.278476\n-2.926734 3.936764 -1.278476\n-0.006889 -0.013754 5.069333\nTa Si\n4 2\ndirect\n0.837337 0.662662 0.499998 Ta\n0.337337 0.837336 0.174672 Ta\n0.162664 0.337337 0.499999 Ta\n0.662664 0.162663 0.825326 Ta\n0.750000 0.749998 -0.000002 Si\n0.250000 0.249999 -0.000001 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 13.225453335152242,
"density_atomic": 0.061268745293008735,
"volume": 97.92921286874548,
"volume_molar": 9.829058406859811,
"formula_full": "Ta4 Si2",
"formula_reduced": "Ta2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 4.747175666666666,
"spacegroup": 140
},
{
"id": "jvasp-20269",
"created_at": "2022-09-04T14:37:55.812869Z",
"updated_at": "2022-09-04T14:37:55.812882Z",
"structure_string": "Ta10 Si6\n1.0\n5.925271 -0.000000 -2.850745\n-1.371538 5.764354 -2.850739\n-0.007571 -0.009573 7.567472\nTa Si\n10 6\ndirect\n0.184882 0.013382 0.698265 Ta\n0.013383 0.513382 0.698265 Ta\n0.684886 0.184884 0.698258 Ta\n0.986617 0.486618 0.301735 Ta\n0.513372 0.684884 0.698257 Ta\n0.815118 0.986618 0.301735 Ta\n0.486627 0.315116 0.301743 Ta\n0.315114 0.815116 0.301742 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.630766 0.130767 0.999994 Si\n0.869227 0.630767 0.999994 Si\n0.130773 0.369233 0.000006 Si\n0.369233 0.869233 0.000006 Si\n0.750003 0.750000 0.500000 Si\n0.249997 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Si-Ta",
"density": 12.723537496292503,
"density_atomic": 0.061980385394350516,
"volume": 258.1461844452873,
"volume_molar": 9.716204121165266,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.192755225,
"spacegroup": 140
},
{
"id": "jvasp-105985",
"created_at": "2022-09-04T14:36:07.261462Z",
"updated_at": "2022-09-04T14:36:07.261489Z",
"structure_string": "Sr1 Zn1 Si1\n1.0\n4.261302 -0.000000 -0.000000\n-2.130651 3.690396 0.000000\n0.000000 0.000000 4.618902\nSr Zn Si\n1 1 1\ndirect\n0.333333 0.666668 0.000000 Sr\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Zn",
"Si"
],
"chemical_system": "Si-Sr-Zn",
"density": 4.140457070513402,
"density_atomic": 0.04130163288635491,
"volume": 72.6363533435776,
"volume_molar": 14.580878137604033,
"formula_full": "Sr1 Zn1 Si1",
"formula_reduced": "SrZnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1340717699999997,
"spacegroup": 187
},
{
"id": "jvasp-101114",
"created_at": "2022-09-04T14:36:57.190618Z",
"updated_at": "2022-09-04T14:36:57.190646Z",
"structure_string": "Sr2 Zn5 Si3\n1.0\n4.281824 0.000000 0.000000\n0.000000 4.281824 0.000000\n-0.000000 -0.000000 10.659929\nSr Zn Si\n2 5 3\ndirect\n0.000000 0.000000 0.995942 Sr\n0.500000 0.500000 0.503521 Sr\n-0.000000 0.500000 0.252463 Zn\n0.500000 0.000000 0.748232 Zn\n0.500000 0.000000 0.252463 Zn\n-0.000000 0.500000 0.748232 Zn\n0.500000 0.500000 0.115280 Zn\n0.000000 0.000000 0.614606 Si\n0.000000 0.000000 0.387562 Si\n0.500000 0.500000 0.881700 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Zn",
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],
"chemical_system": "Si-Sr-Zn",
"density": 4.983516570663403,
"density_atomic": 0.05116677725054205,
"volume": 195.43931702077373,
"volume_molar": 11.769630771373633,
"formula_full": "Sr2 Zn5 Si3",
"formula_reduced": "Sr2Zn5Si3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0093900419999999,
"spacegroup": 99
},
{
"id": "jvasp-16163",
"created_at": "2022-09-04T14:36:42.978723Z",
"updated_at": "2022-09-04T14:36:42.978741Z",
"structure_string": "Sr2 Zn2 Si2\n1.0\n2.155184 -3.732889 -0.000000\n2.155184 3.732889 0.000000\n0.000000 0.000000 8.979067\nSr Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333332 0.750000 Zn\n0.333332 0.666666 0.250000 Zn\n0.333332 0.666666 0.750000 Si\n0.666666 0.333332 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
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],
"chemical_system": "Si-Sr-Zn",
"density": 4.1633380555723845,
"density_atomic": 0.04152987388218948,
"volume": 144.4743130456065,
"volume_molar": 14.500744156082444,
"formula_full": "Sr2 Zn2 Si2",
"formula_reduced": "SrZnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1258951033333331,
"spacegroup": 194
},
{
"id": "jvasp-16900",
"created_at": "2022-09-04T14:37:54.053969Z",
"updated_at": "2022-09-04T14:37:54.053995Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 -0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.5971518763305816,
"density_atomic": 0.03196237797302403,
"volume": 187.72070103995227,
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"formula_full": "Sr4 Si2",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4635837399999997,
"spacegroup": 194
},
{
"id": "jvasp-9075",
"created_at": "2022-09-04T14:37:27.746306Z",
"updated_at": "2022-09-04T14:37:27.746336Z",
"structure_string": "Sr8 Si4\n1.0\n5.129226 0.000000 0.000000\n0.000000 8.051020 0.000000\n0.000000 0.000000 9.564604\nSr Si\n8 4\ndirect\n0.750001 0.980907 0.824131 Sr\n0.250000 0.019093 0.175869 Sr\n0.750001 0.480907 0.675869 Sr\n0.250000 0.519093 0.324131 Sr\n0.250000 0.652236 0.922065 Sr\n0.750001 0.347764 0.077935 Sr\n0.250000 0.152236 0.577935 Sr\n0.750001 0.847764 0.422065 Sr\n0.250000 0.252087 0.897583 Si\n0.750001 0.747913 0.102417 Si\n0.250000 0.752087 0.602417 Si\n0.750001 0.247913 0.397583 Si\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Si-Sr",
"density": 3.419252738465286,
"density_atomic": 0.030381660872103065,
"volume": 394.975115103684,
"volume_molar": 19.821631165429892,
"formula_full": "Sr8 Si4",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.440257073333333,
"spacegroup": 62
},
{
"id": "jvasp-15691",
"created_at": "2022-09-04T14:36:57.917323Z",
"updated_at": "2022-09-04T14:36:57.917343Z",
"structure_string": "Sr1 Si1\n1.0\n3.806780 0.000000 0.000000\n0.000000 3.806780 0.000000\n0.000000 0.000000 3.807171\nSr Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n",
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"density": 3.4824521617757003,
"density_atomic": 0.03625033747821317,
"volume": 55.17190015684739,
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"formula_full": "Sr1 Si1",
"formula_reduced": "SrSi",
"formula_anonymous": "AB",
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"spacegroup": 221
}
]
}