Array ( [0] => Array ( [id] => 1677 [topology] => 4<sup>2</sup>T17-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2531] [space_group] => Pbcn [pearson] => oP16 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T17-CA [sp_atoms] => [caid] => 527 [nn] => 0 [name] => [pressure] => [density] => 3.187 [e_gap] => [energy] => 0.343 [bulk_mod] => 386.0 [shear_mod] => 354.0 [vicker_hard] => 59.6 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1678 [topology] => 4<sup>2</sup>T17-CA [link_rcsr] => [in_col] => 2 [transitivity] => [2531] [space_group] => Pbcn [pearson] => oP16 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^2T17-CA [sp_atoms] => [caid] => 527 [nn] => 1 [name] => 4<sup>2</sup>T17-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: 527 Topology: 42T17-CA # of independent nodes (IN): 2 Transitivity: [2531] Space Group: Pbcn Pearson: oP16 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 |
---|---|---|---|---|---|---|---|---|
42T17-CA (SACADA #527) | 3.187 | 0.343 | 386.0 | 354.0 | 59.6 | SACADA¹ | ||
42T17-CA | doi: 10.1038/s41524-021-00491-y ![]() |
8358.9735 | 1312.0424 | 1505.5331 | -0.0000 | 0.0000 | -0.0000 |
1312.0424 | 10032.0530 | 835.7969 | 0.0000 | 0.0000 | -0.0000 |
1505.5331 | 835.7969 | 9068.8748 | 0.0000 | 0.0000 | -0.0000 |
-0.0000 | -0.0000 | 0.0000 | 4557.1964 | -0.0000 | -0.0000 |
0.0000 | 0.0000 | 0.0000 | -0.0000 | 3053.6536 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | -0.0000 | -0.0000 | 2572.2351 |