Array ( [0] => Array ( [id] => 275 [topology] => pcb [link_rcsr] => [in_col] => 1 [transitivity] => [1222] [space_group] => Im-3m [pearson] => cI48 [cn] => 2, 4 (2:1) [Year] => 2012 [cn_sort] => 002-004-002-001- [topology_str] => pcb [sp_atoms] => + [caid] => 41 [nn] => 0 [name] => [pressure] => [density] => .758 [e_gap] => [energy] => 1.582 [bulk_mod] => 76.7 [shear_mod] => 22.4 [vicker_hard] => 3.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 276 [topology] => pcb [link_rcsr] => [in_col] => 1 [transitivity] => [1222] [space_group] => Im-3m [pearson] => cI48 [cn] => 2, 4 (2:1) [Year] => 2012 [cn_sort] => 002-004-002-001- [topology_str] => pcb [sp_atoms] => + [caid] => 41 [nn] => 1 [name] => supercubane C48 [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2012_JPhysChemC_116_25015_25021 [publ_year] => 2012 [ref] => ) )
SACADA Database Code: 41 Topology: pcb (Allotrope with "sp" atoms) # of independent nodes (IN): 1 Transitivity: [1222] Space Group: Im-3m Pearson: cI48 Coordination Number (CN): 2, 4 (2:1) Year: 2012 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
pcb (SACADA #41) | .758 | 1.582 | 76.7 | 22.4 | 3.5 | SACADA¹ | ||
supercubane C48 | doi: 10.1021/jp3104479 ![]() |
797.0976 | 751.8891 | 751.8891 | -0.0000 | -0.0000 | 0.0000 |
751.8891 | 797.0976 | 751.8891 | -0.0000 | -0.0000 | 0.0000 |
751.8891 | 751.8891 | 797.0976 | 0.0000 | -0.0000 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | 640.7269 | 0.0000 | -0.0000 |
-0.0000 | -0.0000 | -0.0000 | 0.0000 | 640.7269 | -0.0000 |
0.0000 | 0.0000 | 0.0000 | -0.0000 | -0.0000 | 640.7269 |