Array ( [0] => Array ( [id] => 1074 [topology] => ajk9 [link_rcsr] => [in_col] => 6 [transitivity] => [6964] [space_group] => P4132 [pearson] => cP100 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk9 [sp_atoms] => [caid] => 255 [nn] => 0 [name] => [pressure] => [density] => 2.532 [e_gap] => [energy] => 1.264 [bulk_mod] => 227.9 [shear_mod] => 166.8 [vicker_hard] => 20.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1075 [topology] => ajk9 [link_rcsr] => [in_col] => 6 [transitivity] => [6964] [space_group] => P4132 [pearson] => cP100 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk9 [sp_atoms] => [caid] => 255 [nn] => 1 [name] => Clathrate IX [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_InorgChem_50_1733_1742_1733 [publ_year] => 2011 [ref] => ) )
SACADA Database Code: 255 Topology: ajk9 # of independent nodes (IN): 6 Transitivity: [6964] Space Group: P4132 Pearson: cP100 Coordination Number (CN): 4 Year: 2011 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
ajk9 (SACADA #255) | 2.532 | 1.264 | 227.9 | 166.8 | 20.5 | SACADA¹ | ||
Clathrate IX | doi: 10.1021/ic102178d ![]() |
4338.4054 | 1248.6442 | 1248.6442 | 0.0000 | 0.0000 | -0.0000 |
1248.6442 | 4338.4054 | 1248.6442 | -0.0000 | -0.0000 | 0.0000 |
1248.6442 | 1248.6442 | 4338.4054 | -0.0000 | -0.0000 | -0.0000 |
0.0000 | 0.0000 | -0.0000 | 1755.8647 | 0.0000 | 0.0000 |
0.0000 | -0.0000 | -0.0000 | 0.0000 | 1755.8647 | -0.0000 |
-0.0000 | 0.0000 | -0.0000 | 0.0000 | -0.0000 | 1755.8647 |