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 Download CIF File Download PDF report |
|
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 |