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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=600",
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"results": [
{
"id": "jvasp-112607",
"created_at": "2022-09-04T14:38:42.122680Z",
"updated_at": "2022-09-04T14:38:42.122709Z",
"structure_string": "Au2 Xe2 F18\n1.0\n5.539671 0.079596 -9.540145\n-0.333116 5.530219 -9.540145\n-0.073874 -0.079596 11.031630\nAu Xe F\n2 2 18\ndirect\n0.500000 -0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.154572 0.154572 -0.000000 Xe\n0.845427 0.845428 -0.000001 Xe\n0.237413 0.780313 0.149579 F\n0.762587 0.219687 0.850420 F\n0.630734 0.087833 0.850420 F\n0.087834 0.237413 0.457100 F\n0.369266 0.912166 0.149578 F\n0.912165 0.762587 0.542898 F\n0.780312 0.630734 0.542898 F\n0.219687 0.369266 0.457101 F\n0.026929 0.486067 0.165538 F\n0.251300 0.251300 -0.000000 F\n0.679471 0.138609 0.165538 F\n0.138609 0.973070 0.459137 F\n0.320529 0.861391 0.834461 F\n0.861391 0.026930 0.540862 F\n0.513933 0.679471 0.540862 F\n0.486067 0.320529 0.459137 F\n0.973071 0.513933 0.834461 F\n0.748699 0.748701 -0.000001 F\n",
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"formula_full": "Au2 Xe2 F18",
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"formula_anonymous": "ABC9",
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"spacegroup": 87
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{
"id": "jvasp-15055",
"created_at": "2022-09-04T14:36:50.413331Z",
"updated_at": "2022-09-04T14:36:50.413342Z",
"structure_string": "Ga2 Au1\n1.0\n3.803835 -0.000000 2.196146\n1.267945 3.586291 2.196146\n-0.000000 -0.000000 4.392291\nGa Au\n2 1\ndirect\n0.750002 0.750000 0.750000 Ga\n0.250001 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Au\n",
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"volume": 59.918137043360886,
"volume_molar": 12.027848511736318,
"formula_full": "Ga2 Au1",
"formula_reduced": "Ga2Au",
"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-60799",
"created_at": "2022-09-04T14:36:06.925760Z",
"updated_at": "2022-09-04T14:36:06.925781Z",
"structure_string": "Ga8 Au4\n1.0\n3.764630 0.000000 0.000000\n0.000000 7.279158 0.000000\n0.000000 0.000000 8.271043\nGa Au\n8 4\ndirect\n0.250000 0.870903 0.565970 Ga\n0.750000 0.629098 0.065970 Ga\n0.750000 0.129097 0.434030 Ga\n0.250000 0.370903 0.934030 Ga\n0.250000 0.456496 0.348230 Ga\n0.750000 0.043504 0.848230 Ga\n0.750000 0.543505 0.651769 Ga\n0.250000 0.956496 0.151770 Ga\n0.250000 0.244388 0.639812 Au\n0.750000 0.255612 0.139812 Au\n0.750000 0.755612 0.360188 Au\n0.250000 0.744388 0.860188 Au\n",
"nsites": 12,
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"elements": [
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"Au"
],
"chemical_system": "Au-Ga",
"density": 9.858652950975932,
"density_atomic": 0.05294409418628188,
"volume": 226.65417520939036,
"volume_molar": 11.374527891272095,
"formula_full": "Ga8 Au4",
"formula_reduced": "Ga2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.02905,
"spacegroup": 62
},
{
"id": "jvasp-18605",
"created_at": "2022-09-04T14:36:59.008536Z",
"updated_at": "2022-09-04T14:36:59.008554Z",
"structure_string": "Ga4 Au4\n1.0\n3.677207 -0.000000 0.000000\n-0.000000 6.360310 0.000000\n0.000000 0.000000 6.331458\nGa Au\n4 4\ndirect\n0.750001 0.077326 0.315455 Ga\n0.250000 0.922674 0.684546 Ga\n0.750001 0.422674 0.815455 Ga\n0.250000 0.577326 0.184546 Ga\n0.750001 0.691230 0.492976 Au\n0.250000 0.308770 0.507024 Au\n0.750001 0.808770 0.992976 Au\n0.250000 0.191230 0.007024 Au\n",
"nsites": 8,
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"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 11.96230926726743,
"density_atomic": 0.05402439286782301,
"volume": 148.08125691616627,
"volume_molar": 11.14707716333596,
"formula_full": "Ga4 Au4",
"formula_reduced": "GaAu",
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"spacegroup": 62
},
{
"id": "jvasp-109956",
"created_at": "2022-09-04T14:38:48.297136Z",
"updated_at": "2022-09-04T14:38:48.297167Z",
"structure_string": "Ga3 Au1\n1.0\n3.863139 -0.113987 -3.205355\n-0.923654 3.752826 -3.205355\n0.092079 0.113987 5.018931\nGa Au\n3 1\ndirect\n0.750000 0.250000 0.500001 Ga\n0.250001 0.750001 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.977126957681065,
"density_atomic": 0.053244804252275124,
"volume": 75.12470101397888,
"volume_molar": 11.310288101477388,
"formula_full": "Ga3 Au1",
"formula_reduced": "Ga3Au",
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"spacegroup": 139
},
{
"id": "jvasp-61944",
"created_at": "2022-09-04T14:35:53.218217Z",
"updated_at": "2022-09-04T14:35:53.218234Z",
"structure_string": "Ga4 Au8\n1.0\n1.714365 -9.029168 0.000000\n1.714365 9.029168 0.000000\n0.000000 0.000000 6.899069\nGa Au\n4 8\ndirect\n0.058272 0.941731 0.194723 Ga\n0.941731 0.058272 0.694723 Ga\n0.289920 0.710083 0.224802 Ga\n0.710083 0.289920 0.724802 Ga\n0.463855 0.536148 0.999188 Au\n0.536148 0.463855 0.499187 Au\n0.323576 0.676427 0.596248 Au\n0.676427 0.323576 0.096248 Au\n0.086751 0.913252 0.822228 Au\n0.913252 0.086751 0.322228 Au\n0.169869 0.830134 0.450813 Au\n0.830134 0.169869 0.950813 Au\n",
"nsites": 12,
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"elements": [
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"density": 14.418948566155768,
"density_atomic": 0.05618362238090191,
"volume": 213.58537401958392,
"volume_molar": 10.718676555193177,
"formula_full": "Ga4 Au8",
"formula_reduced": "GaAu2",
"formula_anonymous": "AB2",
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"spacegroup": 36
},
{
"id": "jvasp-37791",
"created_at": "2022-09-04T14:38:07.021837Z",
"updated_at": "2022-09-04T14:38:07.021862Z",
"structure_string": "Ga3 Au1\n1.0\n0.000000 3.350802 3.350802\n3.350802 -0.000000 3.350802\n3.350802 3.350802 -0.000000\nGa Au\n3 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Ga\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Ga",
"density": 8.962802572215201,
"density_atomic": 0.05315984398561526,
"volume": 75.24476559943209,
"volume_molar": 11.328364247324645,
"formula_full": "Ga3 Au1",
"formula_reduced": "Ga3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0045525,
"spacegroup": 225
},
{
"id": "jvasp-16880",
"created_at": "2022-09-04T14:37:36.524957Z",
"updated_at": "2022-09-04T14:37:36.524981Z",
"structure_string": "Hf2 Ga2 Au2\n1.0\n2.174115 -3.765678 0.000000\n2.174115 3.765678 -0.000000\n-0.000000 -0.000000 6.708476\nHf Ga Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.666668 0.333334 0.208374 Ga\n0.666668 0.333334 0.791627 Ga\n0.333334 0.666668 0.712731 Au\n0.333334 0.666668 0.287269 Au\n",
"nsites": 6,
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"elements": [
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"Ga",
"Au"
],
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"volume": 109.8448144472053,
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"formula_full": "Hf2 Ga2 Au2",
"formula_reduced": "HfGaAu",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-101461",
"created_at": "2022-09-04T14:36:35.226867Z",
"updated_at": "2022-09-04T14:36:35.226888Z",
"structure_string": "Ho2 Ga2 Au2\n1.0\n4.490332 0.020084 3.458456\n2.257559 3.881611 3.458456\n0.000233 0.000135 7.069200\nHo Ga Au\n2 2 2\ndirect\n0.537243 0.537241 0.701841 Ho\n0.462757 0.462756 0.298161 Ho\n0.843284 0.843282 0.103484 Ga\n0.156716 0.156715 0.896518 Ga\n0.177285 0.177284 0.287892 Au\n0.822715 0.822713 0.712110 Au\n",
"nsites": 6,
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"elements": [
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"volume": 122.88951391363494,
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"formula_full": "Ho2 Ga2 Au2",
"formula_reduced": "HoGaAu",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-109452",
"created_at": "2022-09-04T14:38:16.358519Z",
"updated_at": "2022-09-04T14:38:16.358541Z",
"structure_string": "K2 Ga1 Au1 I6\n1.0\n7.074707 -0.000000 4.084584\n2.358236 6.670097 4.084584\n-0.000000 -0.000000 8.169168\nK Ga Au I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Au\n0.751126 0.248875 0.248874 I\n0.248875 0.248875 0.751125 I\n0.248875 0.751126 0.751125 I\n0.248875 0.751126 0.248874 I\n0.751126 0.248875 0.751125 I\n0.751126 0.751126 0.248873 I\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.025940692441026553,
"volume": 385.4947211888793,
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"formula_full": "K2 Ga1 Au1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102407",
"created_at": "2022-09-04T14:36:44.323807Z",
"updated_at": "2022-09-04T14:36:44.323838Z",
"structure_string": "Rb2 Ga1 Au1 I6\n1.0\n7.096423 0.000000 4.097122\n2.365474 6.690572 4.097122\n-0.000000 0.000000 8.194243\nRb Ga Au I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.751055 0.248945 0.248945 I\n0.248944 0.248945 0.751055 I\n0.248944 0.751055 0.751055 I\n0.248944 0.751055 0.248945 I\n0.751055 0.248945 0.751055 I\n0.751055 0.751055 0.248945 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.117708308801544,
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"volume": 389.0555206506483,
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"formula_full": "Rb2 Ga1 Au1 I6",
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},
{
"id": "jvasp-41939",
"created_at": "2022-09-04T14:37:41.813364Z",
"updated_at": "2022-09-04T14:37:41.813384Z",
"structure_string": "La1 Ga1 Au2\n1.0\n0.000000 3.566825 3.566825\n3.566825 0.000000 3.566825\n3.566825 3.566825 0.000000\nLa Ga Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n",
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"volume": 90.75601151797555,
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"formula_full": "La1 Ga1 Au2",
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"formula_anonymous": "ABC2",
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}
]
}