Array ( [0] => Array ( [id] => 1350 [topology] => 4<sup>4</sup>T109 [link_rcsr] => [in_col] => 4 [transitivity] => [4(11)94] [space_group] => P-1 [pearson] => aP8 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T109 [sp_atoms] => [caid] => 364 [nn] => 0 [name] => [pressure] => [density] => 3.505 [e_gap] => [energy] => 1.014 [bulk_mod] => 405.9 [shear_mod] => 468.7 [vicker_hard] => 88.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1351 [topology] => 4<sup>4</sup>T109 [link_rcsr] => [in_col] => 4 [transitivity] => [4(11)94] [space_group] => P-1 [pearson] => aP8 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T109 [sp_atoms] => [caid] => 364 [nn] => 1 [name] => G20 [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: 364 Topology: 44T109 # of independent nodes (IN): 4 Transitivity: [4(11)94] Space Group: P-1 Pearson: aP8 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 |
---|---|---|---|---|---|---|---|---|
44T109 (SACADA #364) | 3.505 | 1.014 | 405.9 | 468.7 | 88.4 | SACADA¹ | ||
G20 | doi: 10.1002/cphc.201700151 ![]() |
12011.3638 | 639.1245 | 459.0302 | -398.7455 | 10.6754 | 22.0176 |
639.1245 | 10912.8644 | 762.8502 | -308.6175 | -5.6585 | -27.2012 |
459.0302 | 762.8502 | 10032.4495 | -152.0362 | -677.5692 | 335.5290 |
-398.7455 | -308.6175 | -152.0362 | 4959.5543 | 57.4508 | -361.1188 |
10.6754 | -5.6585 | -677.5692 | 57.4508 | 4050.5085 | -640.3356 |
22.0176 | -27.2012 | 335.5290 | -361.1188 | -640.3356 | 4286.6976 |