Array ( [0] => Array ( [id] => 1711 [topology] => 4<sup>2</sup>T45-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2774] [space_group] => P-4m2 [pearson] => tP16 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T45-CA [sp_atoms] => [caid] => 544 [nn] => 0 [name] => [pressure] => [density] => 2.760 [e_gap] => [energy] => 0.984 [bulk_mod] => 251.6 [shear_mod] => 148.8 [vicker_hard] => 17.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1712 [topology] => 4<sup>2</sup>T45-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2774] [space_group] => P-4m2 [pearson] => tP16 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T45-CA [sp_atoms] => [caid] => 544 [nn] => 1 [name] => 4<sup>2</sup>T45-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: 544 Topology: 42T45-CA # of independent nodes (IN): 2 Transitivity: [2774] Space Group: P-4m2 Pearson: tP16 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 |
---|---|---|---|---|---|---|---|---|
42T45-CA (SACADA #544) | 2.760 | 0.984 | 251.6 | 148.8 | 17.4 | SACADA¹ | ||
42T45-CA | doi: 10.1038/s41524-021-00491-y ![]() |
4079.2634 | 977.6508 | 1452.2447 | -0.0000 | -0.0000 | -0.0000 |
977.6508 | 4079.2634 | 1452.2447 | -0.0000 | 0.0000 | -0.0000 |
1452.2447 | 1452.2447 | 7990.5123 | 0.0000 | 0.0000 | -0.0000 |
-0.0000 | -0.0000 | 0.0000 | 1254.0642 | 0.0000 | 0.0000 |
-0.0000 | 0.0000 | 0.0000 | 0.0000 | 1219.4719 | -0.0000 |
0.0000 | -0.0000 | 0.0000 | 0.0000 | -0.0000 | 1219.4718 |