Array ( [0] => Array ( [id] => 868 [topology] => ajk3 [link_rcsr] => [in_col] => 4 [transitivity] => [4432] [space_group] => I-43m [pearson] => cl46 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk3 [caid] => 204 [nn] => 0 [name] => [pressure] => [density] => 3.206 [e_gap] => [energy] => 0.798 [bulk_mod] => 399.5 [shear_mod] => 424.2 [vicker_hard] => 78.2 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 869 [topology] => ajk3 [link_rcsr] => [in_col] => 4 [transitivity] => [4432] [space_group] => I-43m [pearson] => cl46 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk3 [caid] => 204 [nn] => 1 [name] => clathrates VIII [pressure] => [density] => 3.20 [e_gap] => [energy] => [bulk_mod] => 421 [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_JPCC_finland [publ_year] => 2011 [ref] => ) [2] => Array ( [id] => 870 [topology] => ajk3 [link_rcsr] => [in_col] => 4 [transitivity] => [4432] [space_group] => I-43m [pearson] => cl46 [cn] => 4 [Year] => 2011 [cn_sort] => 004- [topology_str] => ajk3 [caid] => 204 [nn] => 2 [name] => clathrates VIII [pressure] => [density] => 3.20 [e_gap] => 7.3 [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_InorgChem_50_1733_1742_1733 [publ_year] => 2011 [ref] => ) )
SACADA Database Code: 204 Topology: ajk3 # of independent nodes (IN): 4 Transitivity: [4432] Space Group: I-43m Pearson: cl46 Coordination Number (CN): 4 Year: 2011 Download CIF File Download PDF report |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
ajk3 (SACADA #204) | 3.206 | 0.798 | 399.5 | 424.2 | 78.2 | SACADA¹ | ||
clathrates VIII | 3.20 | 421 | doi: 10.1021/jp205676p | |||||
clathrates VIII | 3.20 | 7.3 | doi: 10.1021/ic102178d |