Array ( [0] => Array ( [id] => 1857 [topology] => cjh36 [link_rcsr] => [in_col] => 2 [transitivity] => [2696] [space_group] => P42/mmc [pearson] => tP24 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => cjh36 [sp_atoms] => [caid] => 617 [nn] => 0 [name] => [pressure] => [density] => 3.149 [e_gap] => [energy] => 0.582 [bulk_mod] => 349.9 [shear_mod] => 322.6 [vicker_hard] => 54.6 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1858 [topology] => cjh36 [link_rcsr] => [in_col] => 2 [transitivity] => [2696] [space_group] => P42/mmc [pearson] => tP24 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => cjh36 [sp_atoms] => [caid] => 617 [nn] => 1 [name] => cjh36 [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: 617 Topology: cjh36 # of independent nodes (IN): 2 Transitivity: [2696] Space Group: P42/mmc Pearson: tP24 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 |
---|---|---|---|---|---|---|---|---|
cjh36 (SACADA #617) | 3.149 | 0.582 | 349.9 | 322.6 | 54.6 | SACADA¹ | ||
cjh36 | doi: 10.1038/s41524-021-00491-y ![]() |
9576.2361 | 720.6316 | 551.0177 | 0.0000 | 0.0000 | 0.0000 |
720.6316 | 9576.2361 | 551.0177 | -0.0000 | -0.0000 | -0.0000 |
551.0177 | 551.0177 | 8731.6879 | -0.0000 | 0.0000 | -0.0000 |
-0.0000 | -0.0000 | -0.0000 | 2631.3998 | 0.0000 | 0.0000 |
0.0000 | -0.0000 | 0.0000 | 0.0000 | 2646.2928 | -0.0000 |
0.0000 | -0.0000 | 0.0000 | 0.0000 | -0.0000 | 2646.2928 |