Array ( [0] => Array ( [id] => 1637 [topology] => 4<sup>6</sup>T45 [link_rcsr] => [in_col] => 6 [transitivity] => [6(14)(14)6] [space_group] => Cm [pearson] => mS24 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T45 [sp_atoms] => [caid] => 507 [nn] => 0 [name] => [pressure] => [density] => 3.191 [e_gap] => [energy] => 0.968 [bulk_mod] => 355.6 [shear_mod] => 337.2 [vicker_hard] => 58.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1638 [topology] => 4<sup>6</sup>T45 [link_rcsr] => [in_col] => 6 [transitivity] => [6(14)(14)6] [space_group] => Cm [pearson] => mS24 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T45 [sp_atoms] => [caid] => 507 [nn] => 1 [name] => G220 [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: 507 Topology: 46T45 # of independent nodes (IN): 6 Transitivity: [6(14)(14)6] Space Group: Cm Pearson: mS24 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 |
---|---|---|---|---|---|---|---|---|
46T45 (SACADA #507) | 3.191 | 0.968 | 355.6 | 337.2 | 58.4 | SACADA¹ | ||
G220 | doi: 10.1002/cphc.201700151 ![]() |
8689.1804 | 530.8637 | 1226.0942 | -0.0000 | 0.0000 | 279.4365 |
530.8637 | 8155.4814 | 1056.6724 | 0.0000 | -0.0000 | -38.5582 |
1226.0942 | 1056.6724 | 9703.6708 | 0.0000 | -0.0000 | -840.9900 |
-0.0000 | 0.0000 | 0.0000 | 3214.8705 | -67.1057 | 0.0000 |
0.0000 | -0.0000 | -0.0000 | -67.1057 | 2382.5887 | -0.0000 |
279.4365 | -38.5582 | -840.9900 | 0.0000 | -0.0000 | 3671.0521 |