Array ( [0] => Array ( [id] => 281 [topology] => pcb [link_rcsr] => [in_col] => 1 [transitivity] => [1222] [space_group] => Im-3m [pearson] => cI128 [cn] => 2, 4 (7:1) [Year] => 2012 [cn_sort] => 002-004-007-001- [topology_str] => pcb [sp_atoms] => + [caid] => 44 [nn] => 0 [name] => [pressure] => [density] => .431 [e_gap] => [energy] => 1.777 [bulk_mod] => - [shear_mod] => - [vicker_hard] => - [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 282 [topology] => pcb [link_rcsr] => [in_col] => 1 [transitivity] => [1222] [space_group] => Im-3m [pearson] => cI128 [cn] => 2, 4 (7:1) [Year] => 2012 [cn_sort] => 002-004-007-001- [topology_str] => pcb [sp_atoms] => + [caid] => 44 [nn] => 1 [name] => supercubane C128 [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: 44 Topology: pcb (Allotrope with "sp" atoms) # of independent nodes (IN): 1 Transitivity: [1222] Space Group: Im-3m Pearson: cI128 Coordination Number (CN): 2, 4 (7:1) Year: 2012 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
pcb (SACADA #44) | .431 | 1.777 | - | - | - | SACADA¹ | ||
supercubane C128 | doi: 10.1021/jp3104479 ![]() |
395.3310 | 282.1709 | 282.1709 | 0.0000 | 0.0000 | 0.0000 |
282.1709 | 395.3310 | 282.1709 | 0.0000 | -0.0000 | 0.0000 |
282.1709 | 282.1709 | 395.3310 | -0.0000 | 0.0000 | 0.0000 |
0.0000 | 0.0000 | -0.0000 | -2.1085 | 0.0000 | -0.0000 |
0.0000 | -0.0000 | 0.0000 | -0.0000 | -2.1085 | -0.0000 |
0.0000 | 0.0000 | -0.0000 | 0.0000 | -0.0000 | -2.1085 |