Array ( [0] => Array ( [id] => 126 [topology] => ths [link_rcsr] => [in_col] => 1 [transitivity] => [1211] [space_group] => C2/c [pearson] => mS16 [cn] => 2, 3 (1:1) [Year] => 1993 [cn_sort] => 002-003-001-001- [topology_str] => ths [sp_atoms] => + [caid] => 18 [nn] => 0 [name] => [pressure] => [density] => 1.865 [e_gap] => [energy] => 1.338 [bulk_mod] => 107.2 [shear_mod] => 54.9 [vicker_hard] => 7.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 127 [topology] => ths [link_rcsr] => [in_col] => 1 [transitivity] => [1211] [space_group] => C2/c [pearson] => mS16 [cn] => 2, 3 (1:1) [Year] => 1993 [cn_sort] => 002-003-001-001- [topology_str] => ths [sp_atoms] => + [caid] => 18 [nn] => 1 [name] => Trans hinged polydiacetylene [pressure] => [density] => 1.789 [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/1993_Nature_753_Baughman_Galvao [publ_year] => 1993 [ref] => ) )
SACADA Database Code: 18 Topology: ths (Allotrope with "sp" atoms) # of independent nodes (IN): 1 Transitivity: [1211] Space Group: C2/c Pearson: mS16 Coordination Number (CN): 2, 3 (1:1) Year: 1993 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
ths (SACADA #18) | 1.865 | 1.338 | 107.2 | 54.9 | 7.0 | SACADA¹ | ||
Trans hinged polydiacetylene | 1.789 | doi: 10.1038/365735a0 ![]() |
6912.1253 | 1189.8488 | 1663.4342 | 0.0000 | 0.0000 | 879.6429 |
1189.8488 | 341.1437 | 461.3599 | 0.0000 | 0.0000 | 69.0629 |
1663.4342 | 461.3599 | 3688.8908 | -0.0000 | 0.0000 | -159.9657 |
0.0000 | 0.0000 | -0.0000 | 987.9858 | 88.5887 | 0.0000 |
-0.0000 | 0.0000 | 0.0000 | 88.5887 | 184.5458 | 0.0000 |
879.6429 | 69.0629 | -159.9657 | 0.0000 | 0.0000 | 624.4978 |