Array ( [0] => Array ( [id] => 1709 [topology] => 4<sup>2</sup>T43-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2563] [space_group] => I4/mcm [pearson] => tI32 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T43-CA [sp_atoms] => [caid] => 543 [nn] => 0 [name] => [pressure] => [density] => 2.740 [e_gap] => [energy] => 0.672 [bulk_mod] => 275.2 [shear_mod] => 176.7 [vicker_hard] => 20.1 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1710 [topology] => 4<sup>2</sup>T43-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2563] [space_group] => I4/mcm [pearson] => tI32 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T43-CA [sp_atoms] => [caid] => 543 [nn] => 1 [name] => 4<sup>2</sup>T43-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: 543 Topology: 42T43-CA # of independent nodes (IN): 2 Transitivity: [2563] Space Group: I4/mcm Pearson: tI32 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 |
---|---|---|---|---|---|---|---|---|
42T43-CA (SACADA #543) | 2.740 | 0.672 | 275.2 | 176.7 | 20.1 | SACADA¹ | ||
42T43-CA | doi: 10.1038/s41524-021-00491-y ![]() |
3607.0704 | 2673.5063 | 1107.7173 | 0.0000 | 0.0000 | -0.0000 |
2673.5063 | 3607.0704 | 1107.7173 | -0.0000 | -0.0000 | 0.0000 |
1107.7173 | 1107.7173 | 8307.3111 | -0.0000 | -0.0000 | -0.0000 |
0.0000 | -0.0000 | -0.0000 | 2282.7776 | -0.0000 | -0.0000 |
0.0000 | -0.0000 | -0.0000 | -0.0000 | 2548.5373 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | -0.0000 | 0.0000 | 2548.5374 |