Array ( [0] => Array ( [id] => 1409 [topology] => 4<sup>4</sup>T113 [link_rcsr] => [in_col] => 4 [transitivity] => [4994] [space_group] => Fdd2 [pearson] => oF64 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T113 [sp_atoms] => [caid] => 393 [nn] => 0 [name] => [pressure] => [density] => 3.468 [e_gap] => [energy] => 1.084 [bulk_mod] => 396.0 [shear_mod] => 435.8 [vicker_hard] => 81.3 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1410 [topology] => 4<sup>4</sup>T113 [link_rcsr] => [in_col] => 4 [transitivity] => [4994] [space_group] => Fdd2 [pearson] => oF64 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T113 [sp_atoms] => [caid] => 393 [nn] => 1 [name] => G84 [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: 393 Topology: 44T113 # of independent nodes (IN): 4 Transitivity: [4994] Space Group: Fdd2 Pearson: oF64 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 |
---|---|---|---|---|---|---|---|---|
44T113 (SACADA #393) | 3.468 | 1.084 | 396.0 | 435.8 | 81.3 | SACADA¹ | ||
G84 | doi: 10.1002/cphc.201700151 ![]() |
10589.8466 | 620.2691 | 1236.1305 | 0.0000 | 0.0000 | -0.0000 |
620.2691 | 10900.7634 | 428.2436 | -0.0000 | -0.0000 | 0.0000 |
1236.1305 | 428.2436 | 9620.9152 | 0.0000 | -0.0000 | 0.0000 |
0.0000 | -0.0000 | 0.0000 | 4277.9574 | 0.0000 | -0.0000 |
0.0000 | -0.0000 | -0.0000 | 0.0000 | 3421.3130 | -0.0000 |
-0.0000 | 0.0000 | 0.0000 | -0.0000 | -0.0000 | 4692.9686 |