Array ( [0] => Array ( [id] => 1663 [topology] => 4<sup>6</sup>T48 [link_rcsr] => [in_col] => 6 [transitivity] => [6996] [space_group] => C2221 [pearson] => oS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T48 [sp_atoms] => [caid] => 520 [nn] => 0 [name] => [pressure] => [density] => 3.310 [e_gap] => [energy] => 0.751 [bulk_mod] => 395.5 [shear_mod] => 425.6 [vicker_hard] => 78.9 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1664 [topology] => 4<sup>6</sup>T48 [link_rcsr] => [in_col] => 6 [transitivity] => [6996] [space_group] => C2221 [pearson] => oS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T48 [sp_atoms] => [caid] => 520 [nn] => 1 [name] => G241 [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: 520 Topology: 46T48 # of independent nodes (IN): 6 Transitivity: [6996] Space Group: C2221 Pearson: oS32 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 |
---|---|---|---|---|---|---|---|---|
46T48 (SACADA #520) | 3.310 | 0.751 | 395.5 | 425.6 | 78.9 | SACADA¹ | ||
G241 | doi: 10.1002/cphc.201700151 ![]() |
9037.0159 | 1450.1233 | 1471.9511 | 0.0000 | 0.0000 | 0.0000 |
1450.1233 | 9963.8548 | 1050.1305 | -0.0000 | 0.0002 | -0.0000 |
1471.9511 | 1050.1305 | 8700.8192 | -0.0000 | 0.0002 | -0.0000 |
-0.0000 | -0.0000 | 0.0000 | 3701.1158 | 0.0000 | 0.0001 |
0.0000 | 0.0002 | 0.0002 | 0.0000 | 5013.9591 | 0.0000 |
0.0000 | -0.0000 | -0.0000 | 0.0001 | 0.0000 | 4840.3471 |