Array ( [0] => Array ( [id] => 1527 [topology] => 4<sup>6</sup>T39 [link_rcsr] => [in_col] => 6 [transitivity] => [6(12)(11)5] [space_group] => C2/m [pearson] => mS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T39 [sp_atoms] => [caid] => 452 [nn] => 0 [name] => [pressure] => [density] => 3.470 [e_gap] => [energy] => 0.875 [bulk_mod] => 409.0 [shear_mod] => 468.2 [vicker_hard] => 88.2 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1528 [topology] => 4<sup>6</sup>T39 [link_rcsr] => [in_col] => 6 [transitivity] => [6(12)(11)5] [space_group] => C2/m [pearson] => mS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T39 [sp_atoms] => [caid] => 452 [nn] => 1 [name] => G159 [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: 452 Topology: 46T39 # of independent nodes (IN): 6 Transitivity: [6(12)(11)5] Space Group: C2/m 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 |
---|---|---|---|---|---|---|---|---|
46T39 (SACADA #452) | 3.470 | 0.875 | 409.0 | 468.2 | 88.2 | SACADA¹ | ||
G159 | doi: 10.1002/cphc.201700151 ![]() |
11101.6475 | 278.9933 | 649.7757 | -0.0000 | 0.0000 | -208.1954 |
278.9933 | 10519.8933 | 1122.2042 | 0.0000 | -0.0000 | 189.5687 |
649.7757 | 1122.2042 | 11111.3961 | 0.0000 | 0.0000 | -370.7868 |
-0.0000 | 0.0000 | 0.0000 | 3712.4638 | -122.5624 | -0.0000 |
0.0000 | -0.0000 | 0.0000 | -122.5624 | 5132.2767 | -0.0000 |
-208.1954 | 189.5687 | -370.7868 | -0.0000 | -0.0000 | 4540.0228 |