Array ( [0] => Array ( [id] => 2003 [topology] => 4<sup>4</sup>T63-CA [link_rcsr] => [in_col] => 4 [transitivity] => [4(12)(11)7] [space_group] => P2/n [pearson] => mP16 [cn] => 4 [Year] => 2023 [cn_sort] => 004- [topology_str] => 4^4T63-CA [sp_atoms] => [caid] => 690 [nn] => 0 [name] => [pressure] => [density] => 3.501 [e_gap] => [energy] => 0.298 [bulk_mod] => 426.4 [shear_mod] => 490.3 [vicker_hard] => 92.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 2004 [topology] => 4<sup>4</sup>T63-CA [link_rcsr] => [in_col] => 4 [transitivity] => [4(12)(11)7] [space_group] => P2/n [pearson] => mP16 [cn] => 4 [Year] => 2023 [cn_sort] => 004- [topology_str] => 4^4T63-CA [sp_atoms] => [caid] => 690 [nn] => 1 [name] => 4<sup>4</sup>T63-CA [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2023_ActaCrystB_79 [publ_year] => 2023 [ref] => doi: <a href="http://doi.org/10.1107/S205252062300255X" target="_blank">10.1107/S205252062300255X</a> ) )
SACADA Database Code: 690 Topology: 44T63-CA # of independent nodes (IN): 4 Transitivity: [4(12)(11)7] Space Group: P2/n Pearson: mP16 Coordination Number (CN): 4 Year: 2023 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
44T63-CA (SACADA #690) | 3.501 | 0.298 | 426.4 | 490.3 | 92.4 | SACADA¹ | ||
44T63-CA | doi: 10.1107/S205252062300255X ![]() |
11879.9235 | 623.1155 | 138.7436 | 0.0000 | -0.0000 | 4.8545 |
623.1155 | 10663.4349 | 768.0346 | -0.0000 | -0.0000 | -127.2276 |
138.7436 | 768.0346 | 12836.3026 | 0.0000 | 0.0000 | -56.5091 |
0.0000 | -0.0000 | 0.0000 | 4309.5821 | -105.6015 | -0.0000 |
-0.0000 | -0.0000 | 0.0000 | -105.6015 | 4607.8164 | -0.0000 |
4.8545 | -127.2276 | -56.5091 | -0.0000 | -0.0000 | 4513.5637 |