Array ( [0] => Array ( [id] => 1687 [topology] => 4<sup>2</sup>T22-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2542] [space_group] => P6122 [pearson] => hP18 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T22-CA [sp_atoms] => [caid] => 532 [nn] => 0 [name] => [pressure] => [density] => 3.469 [e_gap] => [energy] => 0.566 [bulk_mod] => 395.6 [shear_mod] => 445.1 [vicker_hard] => 83.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1688 [topology] => 4<sup>2</sup>T22-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2542] [space_group] => P6122 [pearson] => hP18 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T22-CA [sp_atoms] => [caid] => 532 [nn] => 1 [name] => 4<sup>2</sup>T22-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: 532 Topology: 42T22-CA # of independent nodes (IN): 2 Transitivity: [2542] Space Group: P6122 Pearson: hP18 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 |
---|---|---|---|---|---|---|---|---|
42T22-CA (SACADA #532) | 3.469 | 0.566 | 395.6 | 445.1 | 83.5 | SACADA¹ | ||
42T22-CA | doi: 10.1038/s41524-021-00491-y ![]() |
10227.8473 | 1059.4622 | 1244.2059 | -0.0029 | -0.0000 | 0.0000 |
1059.4622 | 10227.8392 | 1244.2054 | -0.0029 | -0.0000 | 0.0000 |
1244.2059 | 1244.2054 | 8210.4904 | -0.0004 | -0.0000 | 0.0000 |
-0.0029 | -0.0029 | -0.0004 | 4584.1905 | 0.0000 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | 0.0000 | 4698.3439 | -0.0013 |
0.0000 | 0.0000 | 0.0000 | 0.0000 | -0.0013 | 4698.3457 |