Array ( [0] => Array ( [id] => 1747 [topology] => 4<sup>3</sup>T59-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3741] [space_group] => P21/c [pearson] => mP12 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T59-CA [sp_atoms] => [caid] => 562 [nn] => 0 [name] => [pressure] => [density] => 3.418 [e_gap] => [energy] => 0.451 [bulk_mod] => 391.7 [shear_mod] => 439.4 [vicker_hard] => 82.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1748 [topology] => 4<sup>3</sup>T59-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3741] [space_group] => P21/c [pearson] => mP12 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T59-CA [sp_atoms] => [caid] => 562 [nn] => 1 [name] => 4<sup>3</sup>T59-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: 562 Topology: 43T59-CA # of independent nodes (IN): 3 Transitivity: [3741] Space Group: P21/c 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 |
---|---|---|---|---|---|---|---|---|
43T59-CA (SACADA #562) | 3.418 | 0.451 | 391.7 | 439.4 | 82.4 | SACADA¹ | ||
43T59-CA | doi: 10.1038/s41524-021-00491-y ![]() |
8347.1825 | 955.7229 | 1576.9748 | -0.0000 | -0.0000 | 443.9638 |
955.7229 | 10405.4473 | 737.0603 | -0.0000 | -0.0000 | 46.2798 |
1576.9748 | 737.0603 | 10045.4559 | 0.0000 | -0.0000 | -872.3914 |
-0.0000 | -0.0000 | 0.0000 | 4738.8088 | -24.3839 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | -24.3839 | 4281.7641 | 0.0000 |
443.9638 | 46.2798 | -872.3914 | 0.0000 | 0.0000 | 4542.7464 |