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{
"id": "jvasp-10152",
"created_at": "2022-09-04T14:37:15.620717Z",
"updated_at": "2022-09-04T14:37:15.620739Z",
"structure_string": "K6 Si2 Te6\n1.0\n8.042167 0.007927 -2.192684\n-3.470627 7.254741 -2.192684\n0.011874 0.018864 8.850473\nK Si Te\n6 2 6\ndirect\n0.793136 0.793136 0.325027 K\n0.500000 0.000000 0.000000 K\n0.656249 0.343751 0.500000 K\n0.343751 0.656248 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.206863 0.206863 0.674974 K\n0.891457 0.891457 0.859846 Si\n0.108542 0.108542 0.140155 Si\n0.366466 0.366466 0.121575 Te\n0.633533 0.633533 0.878426 Te\n0.945493 0.251606 0.300140 Te\n0.748394 0.054507 0.699861 Te\n0.054506 0.748394 0.699860 Te\n0.251605 0.945493 0.300140 Te\n",
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"structure_string": "Rb2 In2 I6\n1.0\n7.444973 0.000000 4.298357\n2.481658 7.019188 4.298357\n-0.000000 -0.000000 8.596714\nRb In I\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.750044 0.249956 0.249956 I\n0.249955 0.249956 0.750044 I\n0.249956 0.750045 0.750044 I\n0.249956 0.750045 0.249956 I\n0.750044 0.249956 0.750045 I\n0.750044 0.750045 0.249956 I\n",
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{
"id": "jvasp-101518",
"created_at": "2022-09-04T14:36:41.637211Z",
"updated_at": "2022-09-04T14:36:41.637235Z",
"structure_string": "Na2 Li1 Ce1 Cl6\n1.0\n6.346329 -0.000000 3.664055\n2.115443 5.983376 3.664055\n-0.000000 -0.000000 7.328109\nNa Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ce\n0.738772 0.261228 0.261227 Cl\n0.261228 0.261228 0.738772 Cl\n0.261227 0.738773 0.738772 Cl\n0.261227 0.738773 0.261227 Cl\n0.738772 0.261228 0.738772 Cl\n0.738772 0.738773 0.261227 Cl\n",
"nsites": 10,
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"density_atomic": 0.035936783379076936,
"volume": 278.26641840800323,
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"formula_full": "Na2 Li1 Ce1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-101517",
"created_at": "2022-09-04T14:36:41.295519Z",
"updated_at": "2022-09-04T14:36:41.295538Z",
"structure_string": "Rb2 Y1 Ag1 F6\n1.0\n5.589605 -0.000000 3.227160\n1.863202 5.269930 3.227160\n-0.000000 -0.000000 6.454320\nRb Y Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.736578 0.263422 0.263422 F\n0.263422 0.263422 0.736578 F\n0.263422 0.736578 0.736578 F\n0.263422 0.736578 0.263422 F\n0.736578 0.263422 0.736577 F\n0.736578 0.736578 0.263422 F\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.052597310929001495,
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{
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"created_at": "2022-09-04T14:36:41.586516Z",
"updated_at": "2022-09-04T14:36:41.586541Z",
"structure_string": "Rb2 Ag1 Pd1 F6\n1.0\n5.335493 -0.000000 3.080448\n1.778498 5.030351 3.080448\n-0.000000 -0.000000 6.160897\nRb Ag Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Pd\n0.239117 0.239117 0.760883 F\n0.239118 0.760883 0.760883 F\n0.760883 0.760883 0.239118 F\n0.239118 0.760883 0.239118 F\n0.760882 0.239117 0.760884 F\n0.760882 0.239117 0.239118 F\n",
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{
"id": "jvasp-101513",
"created_at": "2022-09-04T14:36:41.065810Z",
"updated_at": "2022-09-04T14:36:41.065833Z",
"structure_string": "Rb2 Hg1 Au1 F6\n1.0\n5.543606 -0.000000 3.200602\n1.847869 5.226562 3.200602\n-0.000000 -0.000000 6.401205\nRb Hg Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Au\n0.752512 0.247489 0.247488 F\n0.247489 0.247489 0.752510 F\n0.247489 0.752511 0.752510 F\n0.247489 0.752511 0.247488 F\n0.752512 0.247489 0.752510 F\n0.752512 0.752511 0.247488 F\n",
"nsites": 10,
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"density_atomic": 0.05391750676420505,
"volume": 185.4685166310182,
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{
"id": "jvasp-101512",
"created_at": "2022-09-04T14:36:37.533366Z",
"updated_at": "2022-09-04T14:36:37.533392Z",
"structure_string": "Rb2 Tm1 Au1 Cl6\n1.0\n6.474698 -0.000000 3.738169\n2.158233 6.104404 3.738169\n-0.000000 -0.000000 7.476337\nRb Tm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Au\n0.755967 0.244033 0.244033 Cl\n0.244033 0.244033 0.755967 Cl\n0.244033 0.755967 0.755968 Cl\n0.244033 0.755967 0.244034 Cl\n0.755967 0.244033 0.755967 Cl\n0.755967 0.755967 0.244034 Cl\n",
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"elements": [
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"density_atomic": 0.03384140193931268,
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"formula_full": "Rb2 Tm1 Au1 Cl6",
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{
"id": "jvasp-101511",
"created_at": "2022-09-04T14:36:40.443213Z",
"updated_at": "2022-09-04T14:36:40.443234Z",
"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n6.728498 0.000000 3.884700\n2.242833 6.343689 3.884700\n0.000000 0.000000 7.769400\nRb In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.753433 0.246568 0.246567 Br\n0.246567 0.246568 0.753433 Br\n0.246567 0.753433 0.753433 Br\n0.246567 0.753433 0.246567 Br\n0.753433 0.246568 0.753432 Br\n0.753432 0.753433 0.246567 Br\n",
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{
"id": "jvasp-101510",
"created_at": "2022-09-04T14:36:39.813236Z",
"updated_at": "2022-09-04T14:36:39.813253Z",
"structure_string": "Rb2 Ga1 Au1 Br6\n1.0\n6.585859 0.000000 3.802347\n2.195286 6.209207 3.802347\n0.000000 0.000000 7.604695\nRb Ga Au Br\n2 1 1 6\ndirect\n0.750000 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\n0.756617 0.243384 0.243384 Br\n0.243384 0.243384 0.756616 Br\n0.243384 0.756617 0.756616 Br\n0.243384 0.756617 0.243384 Br\n0.756617 0.243384 0.756616 Br\n0.756617 0.756617 0.243384 Br\n",
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{
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"created_at": "2022-09-04T14:37:14.871054Z",
"updated_at": "2022-09-04T14:37:14.871080Z",
"structure_string": "Lu2 As2 O8\n1.0\n5.590096 0.018627 -1.681901\n-3.084950 4.661824 -1.681901\n-0.009970 -0.018627 5.837625\nLu As O\n2 2 8\ndirect\n0.125000 0.874999 0.250000 Lu\n0.875001 0.125000 0.750000 Lu\n0.375000 0.624999 0.749999 As\n0.625000 0.375000 0.250000 As\n0.806056 0.740453 0.434398 O\n0.371658 0.806055 0.565601 O\n0.740454 0.806055 0.934397 O\n0.806057 0.371658 0.065602 O\n0.628342 0.193944 0.434398 O\n0.193944 0.259546 0.565601 O\n0.193944 0.628341 0.934397 O\n0.259546 0.193944 0.065602 O\n",
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{
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"created_at": "2022-09-04T14:36:39.722580Z",
"updated_at": "2022-09-04T14:36:39.722607Z",
"structure_string": "Na3 Ga1 Br6\n1.0\n6.536070 0.000000 3.773602\n2.178690 6.162266 3.773602\n-0.000000 -0.000000 7.547204\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ga\n0.761873 0.238127 0.238127 Br\n0.238127 0.238127 0.761872 Br\n0.238127 0.761873 0.761872 Br\n0.238127 0.761873 0.238127 Br\n0.761873 0.238127 0.761872 Br\n0.761873 0.761873 0.238126 Br\n",
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{
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"created_at": "2022-09-04T14:36:57.577538Z",
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"structure_string": "Rb2 Hg1 As1 Cl6\n1.0\n6.486464 -0.000000 3.744962\n2.162155 6.115497 3.744962\n-0.000000 -0.000000 7.489924\nRb Hg As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.763054 0.236945 0.236945 Cl\n0.236945 0.236945 0.763054 Cl\n0.236944 0.763055 0.763054 Cl\n0.236944 0.763055 0.236945 Cl\n0.763054 0.236945 0.763054 Cl\n0.763054 0.763055 0.236945 Cl\n",
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}