Array ( [0] => Array ( [id] => 1197 [topology] => ajk2 [link_rcsr] => [in_col] => 9 [transitivity] => [9(13)(11)9] [space_group] => Fd-3m [pearson] => cF680 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk2 [sp_atoms] => [caid] => 300 [nn] => 0 [name] => [pressure] => [density] => 3.346 [e_gap] => [energy] => 0.189 [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1198 [topology] => ajk2 [link_rcsr] => [in_col] => 9 [transitivity] => [9(13)(11)9] [space_group] => Fd-3m [pearson] => cF680 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk2 [sp_atoms] => [caid] => 300 [nn] => 1 [name] => clathrates II-100 [pressure] => [density] => 3.30 [e_gap] => [energy] => [bulk_mod] => 427 [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_JPCC_finland [publ_year] => 2011 [ref] => ) [2] => Array ( [id] => 1199 [topology] => ajk2 [link_rcsr] => [in_col] => 9 [transitivity] => [9(13)(11)9] [space_group] => Fd-3m [pearson] => cF680 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk2 [sp_atoms] => [caid] => 300 [nn] => 2 [name] => clathrates II-100 [pressure] => [density] => 3.30 [e_gap] => 6.9 [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_InorgChem_50_1733_1742_1733 [publ_year] => 2011 [ref] => ) )
SACADA Database Code: 300 Topology: ajk2 # of independent nodes (IN): 9 Transitivity: [9(13)(11)9] Space Group: Fd-3m Pearson: cF680 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 |
---|---|---|---|---|---|---|---|---|
ajk2 (SACADA #300) | 3.346 | 0.189 | SACADA¹ | |||||
clathrates II-100 | 3.30 | 427 | doi: 10.1021/jp205676p ![]() |
|||||
clathrates II-100 | 3.30 | 6.9 | doi: 10.1021/ic102178d ![]() |