Array ( [0] => Array ( [id] => 1745 [topology] => 4<sup>3</sup>T58-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3774] [space_group] => P21/n [pearson] => mP12 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T58-CA [sp_atoms] => [caid] => 561 [nn] => 0 [name] => [pressure] => [density] => 3.272 [e_gap] => [energy] => 0.988 [bulk_mod] => 357.9 [shear_mod] => 341.8 [vicker_hard] => 59.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1746 [topology] => 4<sup>3</sup>T58-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3774] [space_group] => P21/n [pearson] => mP12 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T58-CA [sp_atoms] => [caid] => 561 [nn] => 1 [name] => 4<sup>3</sup>T58-CA [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2021_npjComputMater_7_15 [publ_year] => 2021 [ref] => doi: <a href="http://doi.org/10.1038/s41524-021-00491-y" target="_blank">10.1038/s41524-021-00491-y</a> ) )
SACADA Database Code: 561 Topology: 43T58-CA # of independent nodes (IN): 3 Transitivity: [3774] Space Group: P21/n Pearson: mP12 Coordination Number (CN): 4 Year: 2021 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
43T58-CA (SACADA #561) | 3.272 | 0.988 | 357.9 | 341.8 | 59.5 | SACADA¹ | ||
43T58-CA | doi: 10.1038/s41524-021-00491-y ![]() |
9183.5489 | 2156.4577 | 898.8409 | -0.0000 | 0.0000 | 219.6637 |
2156.4577 | 6577.7315 | 844.6137 | 0.0000 | -0.0000 | -661.8928 |
898.8409 | 844.6137 | 8956.0320 | 0.0000 | -0.0000 | 458.5390 |
-0.0000 | 0.0000 | 0.0000 | 4068.3517 | -438.2960 | 0.0000 |
0.0000 | -0.0000 | -0.0000 | -438.2960 | 2723.4331 | 0.0000 |
219.6637 | -661.8928 | 458.5390 | 0.0000 | 0.0000 | 3691.9355 |