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 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 #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 |