Array ( [0] => Array ( [id] => 120 [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] => 16 [nn] => 0 [name] => [pressure] => [density] => 1.581 [e_gap] => [energy] => 1.351 [bulk_mod] => 95.8 [shear_mod] => 38.4 [vicker_hard] => 5.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 121 [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] => 16 [nn] => 1 [name] => Cis hinged polydiacetylene [pressure] => [density] => 1.564 [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/1993_Nature_753_Baughman_Galvao [publ_year] => 1993 [ref] => ) )
SACADA Database Code: 16 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 #16) | 1.581 | 1.351 | 95.8 | 38.4 | 5.5 | SACADA¹ | ||
Cis hinged polydiacetylene | 1.564 | doi: 10.1038/365735a0 ![]() |
1016.9326 | 2006.8341 | 732.1545 | 0.0000 | 0.0000 | 359.7139 |
2006.8341 | 4191.0468 | 1329.7988 | -0.0000 | 0.0000 | 599.0019 |
732.1545 | 1329.7988 | 2154.8584 | 0.0000 | -0.0000 | 520.0840 |
0.0000 | 0.0000 | 0.0000 | 1562.9020 | 385.8434 | 0.0000 |
0.0000 | 0.0000 | -0.0000 | 385.8434 | 404.0839 | -0.0000 |
359.7139 | 599.0019 | 520.0840 | 0.0000 | -0.0000 | 301.1903 |