Array ( [0] => Array ( [id] => 1399 [topology] => 4<sup>9</sup>T6 [link_rcsr] => [in_col] => 9 [transitivity] => [9(17)(11)4] [space_group] => C2 [pearson] => mS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>9</sup>T6 [sp_atoms] => [caid] => 388 [nn] => 0 [name] => [pressure] => [density] => 3.279 [e_gap] => [energy] => 0.938 [bulk_mod] => 367.0 [shear_mod] => 386.4 [vicker_hard] => 71.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1400 [topology] => 4<sup>9</sup>T6 [link_rcsr] => [in_col] => 9 [transitivity] => [9(17)(11)4] [space_group] => C2 [pearson] => mS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>9</sup>T6 [sp_atoms] => [caid] => 388 [nn] => 1 [name] => G77 [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2017_ChemPhysChem_18_873 [publ_year] => 2017 [ref] => ) )
SACADA Database Code: 388 Topology: 49T6 # of independent nodes (IN): 9 Transitivity: [9(17)(11)4] Space Group: C2 Pearson: mS32 Coordination Number (CN): 4 Year: 2017 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
49T6 (SACADA #388) | 3.279 | 0.938 | 367.0 | 386.4 | 71.0 | SACADA¹ | ||
G77 | doi: 10.1002/cphc.201700151 ![]() |
9069.6693 | 1282.7325 | 1175.1223 | 0.0000 | -0.0000 | -204.6826 |
1282.7325 | 7715.4252 | 1396.1760 | 0.0000 | -0.0000 | -108.6896 |
1175.1223 | 1396.1760 | 8582.0670 | -0.0000 | -0.0000 | 168.8608 |
0.0000 | 0.0000 | -0.0000 | 3539.2897 | -186.2254 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | -186.2254 | 4251.9467 | -0.0000 |
-204.6826 | -108.6896 | 168.8608 | -0.0000 | 0.0000 | 4480.3032 |