Array ( [0] => Array ( [id] => 1667 [topology] => 4<sup>6</sup>T50 [link_rcsr] => [in_col] => 6 [transitivity] => [6(13)(13)4] [space_group] => P-1 [pearson] => aP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T50 [sp_atoms] => [caid] => 522 [nn] => 0 [name] => [pressure] => [density] => 3.361 [e_gap] => [energy] => 1.446 [bulk_mod] => 172.6 [shear_mod] => 174.6 [vicker_hard] => 31.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1668 [topology] => 4<sup>6</sup>T50 [link_rcsr] => [in_col] => 6 [transitivity] => [6(13)(13)4] [space_group] => P-1 [pearson] => aP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T50 [sp_atoms] => [caid] => 522 [nn] => 1 [name] => G245 [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2017_ChemPhysChem_18_873 [publ_year] => 2017 [ref] => ) )
SACADA Database Code: 522 Topology: 46T50 # of independent nodes (IN): 6 Transitivity: [6(13)(13)4] Space Group: P-1 Pearson: aP12 Coordination Number (CN): 4 Year: 2017 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
46T50 (SACADA #522) | 3.361 | 1.446 | 172.6 | 174.6 | 31.5 | SACADA¹ | ||
G245 | doi: 10.1002/cphc.201700151 ![]() |
10144.5401 | 1394.6613 | -6.5536 | -171.2595 | -150.3062 | 184.3391 |
1394.6613 | 7897.4924 | 1505.6852 | -65.1080 | -504.0364 | -246.4276 |
-6.5536 | 1505.6852 | 7230.3741 | -237.5452 | -507.8756 | -512.9529 |
-171.2595 | -65.1080 | -237.5452 | 3967.7131 | -206.0755 | -684.7697 |
-150.3062 | -504.0364 | -507.8756 | -206.0755 | 3279.9950 | -217.4583 |
184.3391 | -246.4276 | -512.9529 | -684.7697 | -217.4583 | 2751.1646 |