Array ( [0] => Array ( [id] => 1571 [topology] => 4<sup>6</sup>T40 [link_rcsr] => [in_col] => 6 [transitivity] => [6(12)71] [space_group] => Cc [pearson] => mS24 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T40 [sp_atoms] => [caid] => 474 [nn] => 0 [name] => [pressure] => [density] => 3.373 [e_gap] => [energy] => 0.895 [bulk_mod] => 392.0 [shear_mod] => 437.1 [vicker_hard] => 81.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1572 [topology] => 4<sup>6</sup>T40 [link_rcsr] => [in_col] => 6 [transitivity] => [6(12)71] [space_group] => Cc [pearson] => mS24 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T40 [sp_atoms] => [caid] => 474 [nn] => 1 [name] => G182 [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: 474 Topology: 46T40 # of independent nodes (IN): 6 Transitivity: [6(12)71] Space Group: Cc Pearson: mS24 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 |
---|---|---|---|---|---|---|---|---|
46T40 (SACADA #474) | 3.373 | 0.895 | 392.0 | 437.1 | 81.8 | SACADA¹ | ||
G182 | doi: 10.1002/cphc.201700151 ![]() |
11280.1198 | 1170.5496 | 589.6686 | 0.0000 | -0.0000 | 101.9314 |
1170.5496 | 8772.7795 | 771.8728 | 0.0000 | -0.0000 | -302.3862 |
589.6686 | 771.8728 | 10310.1084 | 0.0000 | -0.0000 | 111.6121 |
0.0000 | 0.0000 | 0.0000 | 4296.9484 | -327.1521 | -0.0000 |
-0.0000 | -0.0000 | -0.0000 | -327.1521 | 4022.5590 | 0.0000 |
101.9314 | -302.3862 | 111.6121 | -0.0000 | 0.0000 | 4351.1978 |