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{
"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",
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{
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"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",
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{
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"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",
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"formula_full": "Ga4 Au4",
"formula_reduced": "GaAu",
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"spacegroup": 62
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{
"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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"density": 9.858652950975932,
"density_atomic": 0.05294409418628188,
"volume": 226.65417520939036,
"volume_molar": 11.374527891272095,
"formula_full": "Ga8 Au4",
"formula_reduced": "Ga2Au",
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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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"volume": 75.12470101397888,
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"formula_full": "Ga3 Au1",
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"spacegroup": 139
},
{
"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",
"nsites": 3,
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"elements": [
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{
"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",
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"elements": [
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"density": 14.418948566155768,
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"volume": 213.58537401958392,
"volume_molar": 10.718676555193177,
"formula_full": "Ga4 Au8",
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"spacegroup": 36
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{
"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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{
"id": "jvasp-57107",
"created_at": "2022-09-04T14:38:31.873006Z",
"updated_at": "2022-09-04T14:38:31.873027Z",
"structure_string": "U4 Au2 F22\n1.0\n5.876128 0.000000 2.322656\n2.938064 7.916388 1.161327\n0.028038 0.000000 8.523457\nU Au F\n4 2 22\ndirect\n0.644912 0.210177 0.500001 U\n0.855088 0.500000 0.789825 U\n0.144912 0.500000 0.210177 U\n0.355088 0.789824 0.500001 U\n0.500000 -0.000000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.598296 0.068444 0.734965 F\n0.250000 0.679578 0.320423 F\n0.000000 -0.000000 0.500000 F\n0.166739 0.931557 0.734965 F\n0.250000 0.320422 0.679578 F\n-0.000000 0.500000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.750000 0.320422 0.679579 F\n0.429578 0.320422 0.320423 F\n0.750000 0.679578 0.320423 F\n0.070422 0.679578 0.679579 F\n0.098295 0.734964 0.068444 F\n0.500000 0.500000 0.500001 F\n0.901704 0.265036 0.931557 F\n0.401703 0.931557 0.265036 F\n0.570422 0.679578 0.679579 F\n-0.000000 0.500000 0.500000 F\n0.333260 0.265036 0.068444 F\n0.666740 0.734964 0.931557 F\n0.929578 0.320422 0.320423 F\n0.833261 0.068444 0.265036 F\n0.500000 -0.000000 0.500000 F\n",
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{
"id": "jvasp-59054",
"created_at": "2022-09-04T14:38:35.024708Z",
"updated_at": "2022-09-04T14:38:35.024739Z",
"structure_string": "Th4 Au2 F22\n1.0\n5.908813 0.000000 2.333092\n2.954406 8.059581 1.166546\n-0.005533 0.000000 8.662919\nTh Au F\n4 2 22\ndirect\n0.855626 0.500000 0.788748 Th\n0.355626 0.788748 0.500000 Th\n0.144375 0.500000 0.211252 Th\n0.644375 0.211252 0.500000 Th\n0.000000 0.000000 0.000000 Au\n0.500000 -0.000000 -0.000000 Au\n0.868536 0.022929 0.239999 F\n0.891465 0.239999 0.977071 F\n0.056416 0.693585 0.693585 F\n0.750000 0.306415 0.693585 F\n0.750000 0.693585 0.306415 F\n0.443585 0.306415 0.306415 F\n0.943585 0.306415 0.306415 F\n0.250001 0.693585 0.306415 F\n0.391465 0.977071 0.240000 F\n0.500000 0.500000 0.000000 F\n0.500000 -0.000000 0.500000 F\n0.000000 -0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000001 0.500000 0.500000 F\n0.131465 0.977071 0.760001 F\n0.108536 0.760001 0.022929 F\n0.368536 0.239999 0.022929 F\n0.631465 0.760001 0.977071 F\n0.608535 0.022929 0.760001 F\n0.556416 0.693585 0.693585 F\n0.250000 0.306415 0.693585 F\n",
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{
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"created_at": "2022-09-04T14:38:39.401103Z",
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"structure_string": "Sb4 Au6 F36\n1.0\n8.460529 0.000000 0.000000\n0.000000 8.259093 -3.862505\n0.000000 -0.009317 9.696196\nSb Au F\n4 6 36\ndirect\n0.124647 0.139978 0.276439 Sb\n0.624647 0.360022 0.223561 Sb\n0.875353 0.860021 0.723560 Sb\n0.375353 0.639978 0.776439 Sb\n0.668458 0.797810 0.130567 Au\n0.168458 0.702189 0.369432 Au\n0.000000 0.500000 -0.000000 Au\n0.831542 0.297810 0.630568 Au\n0.331542 0.202189 0.869433 Au\n0.500000 -0.000000 0.500000 Au\n0.472288 0.335095 0.046964 F\n0.972288 0.164904 0.453036 F\n0.229136 0.605642 0.617243 F\n0.729136 0.894357 0.882757 F\n0.770864 0.394357 0.382757 F\n0.368873 0.417873 0.744738 F\n0.868873 0.082126 0.755262 F\n0.631127 0.582126 0.255262 F\n0.027712 0.835095 0.546964 F\n0.216414 0.681762 0.928992 F\n0.716414 0.818237 0.571007 F\n0.270864 0.105642 0.117243 F\n0.131127 0.917873 0.244738 F\n0.941293 0.094547 0.153101 F\n0.283586 0.181762 0.428992 F\n0.441293 0.405452 0.346899 F\n0.058707 0.905452 0.846898 F\n0.558707 0.594547 0.653101 F\n0.101019 0.365637 0.333784 F\n0.601019 0.134363 0.166216 F\n0.791510 0.908984 0.310653 F\n0.291510 0.591015 0.189346 F\n0.208490 0.091015 0.689346 F\n0.708490 0.408984 0.810654 F\n0.478863 0.895958 0.256586 F\n0.978863 0.604041 0.243414 F\n0.521137 0.104041 0.743414 F\n0.021137 0.395958 0.756586 F\n0.863022 0.701937 0.010142 F\n0.363022 0.798063 0.489857 F\n0.136978 0.298063 0.989857 F\n0.636978 0.201937 0.510143 F\n0.898981 0.634362 0.666216 F\n0.398981 0.865636 0.833783 F\n0.783586 0.318237 0.071008 F\n0.527712 0.664904 0.953036 F\n",
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"volume": 677.2297915095743,
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"formula_full": "Sb4 Au6 F36",
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{
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"created_at": "2022-09-04T14:38:54.199660Z",
"updated_at": "2022-09-04T14:38:54.199686Z",
"structure_string": "Sb1 Au1 F2\n1.0\n3.427692 0.000000 -0.000000\n-0.000000 3.427692 -0.000000\n0.000000 0.000000 5.363895\nSb Au F\n1 1 2\ndirect\n0.500000 0.500000 0.564914 Sb\n0.000000 0.000000 0.901778 Au\n0.000000 0.000000 0.371336 F\n0.500000 0.500000 0.171971 F\n",
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}
]
}