Array ( [0] => Array ( [id] => 1997 [topology] => 4<sup>4</sup>T5-CA [link_rcsr] => [in_col] => 4 [transitivity] => [4(10)84] [space_group] => P21/n [pearson] => mP16 [cn] => 4 [Year] => 2023 [cn_sort] => 004- [topology_str] => 4^4T5-CA [sp_atoms] => [caid] => 687 [nn] => 0 [name] => [pressure] => [density] => 3.378 [e_gap] => [energy] => 0.705 [bulk_mod] => 370.9 [shear_mod] => 376.5 [vicker_hard] => 68.1 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1998 [topology] => 4<sup>4</sup>T5-CA [link_rcsr] => [in_col] => 4 [transitivity] => [4(10)84] [space_group] => P21/n [pearson] => mP16 [cn] => 4 [Year] => 2023 [cn_sort] => 004- [topology_str] => 4^4T5-CA [sp_atoms] => [caid] => 687 [nn] => 1 [name] => 4<sup>4</sup>T5-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: 687 Topology: 44T5-CA # of independent nodes (IN): 4 Transitivity: [4(10)84] Space Group: P21/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 |
---|---|---|---|---|---|---|---|---|
44T5-CA (SACADA #687) | 3.378 | 0.705 | 370.9 | 376.5 | 68.1 | SACADA¹ | ||
44T5-CA | doi: 10.1107/S205252062300255X ![]() |
10204.4235 | 487.6301 | 130.8123 | 0.0000 | -0.0000 | 913.8694 |
487.6301 | 8666.6451 | 1337.1206 | -0.0000 | 0.0000 | -233.4643 |
130.8123 | 1337.1206 | 10677.3074 | 0.0000 | -0.0000 | 328.5627 |
-0.0000 | -0.0000 | 0.0000 | 2496.6791 | 623.7101 | -0.0000 |
-0.0000 | 0.0000 | -0.0000 | 623.7101 | 3484.6398 | 0.0000 |
913.8694 | -233.4643 | 328.5627 | 0.0000 | 0.0000 | 4206.6177 |