Array ( [0] => Array ( [id] => 1723 [topology] => 4<sup>3</sup>T31-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3983] [space_group] => Cmcm [pearson] => oS40 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T31-CA [sp_atoms] => [caid] => 550 [nn] => 0 [name] => [pressure] => [density] => 3.395 [e_gap] => [energy] => 0.190 [bulk_mod] => 419.9 [shear_mod] => 446.5 [vicker_hard] => 82.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1724 [topology] => 4<sup>3</sup>T31-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3983] [space_group] => Cmcm [pearson] => oS40 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T31-CA [sp_atoms] => [caid] => 550 [nn] => 1 [name] => 4<sup>3</sup>T31-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: 550 Topology: 43T31-CA # of independent nodes (IN): 3 Transitivity: [3983] Space Group: Cmcm Pearson: oS40 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 |
---|---|---|---|---|---|---|---|---|
43T31-CA (SACADA #550) | 3.395 | 0.190 | 419.9 | 446.5 | 82.4 | SACADA¹ | ||
43T31-CA | doi: 10.1038/s41524-021-00491-y ![]() |
10432.5510 | 1147.3451 | 1124.0113 | 0.0000 | -0.0000 | 0.0000 |
1147.3451 | 11455.8969 | 651.0479 | 0.0000 | 0.0000 | -0.0000 |
1124.0113 | 651.0479 | 10101.6510 | -0.0000 | -0.0000 | -0.0000 |
0.0000 | 0.0000 | -0.0000 | 4989.2416 | 0.0000 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | -0.0000 | 4321.7683 | -0.0000 |
0.0000 | -0.0000 | -0.0000 | 0.0000 | 0.0000 | 3528.5836 |