Array ( [0] => Array ( [id] => 1643 [topology] => 4<sup>5</sup>T62 [link_rcsr] => [in_col] => 5 [transitivity] => [5(10)72] [space_group] => An [pearson] => mS20 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T62 [sp_atoms] => [caid] => 510 [nn] => 0 [name] => [pressure] => [density] => 3.324 [e_gap] => [energy] => 1.566 [bulk_mod] => 340.0 [shear_mod] => 350.9 [vicker_hard] => 64.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1644 [topology] => 4<sup>5</sup>T62 [link_rcsr] => [in_col] => 5 [transitivity] => [5(10)72] [space_group] => An [pearson] => mS20 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T62 [sp_atoms] => [caid] => 510 [nn] => 1 [name] => G223 [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: 510 Topology: 45T62 # of independent nodes (IN): 5 Transitivity: [5(10)72] Space Group: An Pearson: mS20 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 |
---|---|---|---|---|---|---|---|---|
45T62 (SACADA #510) | 3.324 | 1.566 | 340.0 | 350.9 | 64.0 | SACADA¹ | ||
G223 | doi: 10.1002/cphc.201700151 ![]() |
8693.9769 | 712.9088 | 771.2671 | 0.0000 | -0.0000 | 21.8179 |
712.9088 | 9471.2195 | 1018.1112 | 0.0000 | -0.0000 | 164.9377 |
771.2671 | 1018.1112 | 7544.8592 | 0.0000 | -0.0000 | 485.2127 |
0.0000 | 0.0000 | 0.0000 | 3531.6176 | 39.7485 | -0.0000 |
-0.0000 | -0.0000 | -0.0000 | 39.7485 | 3162.5867 | 0.0000 |
21.8179 | 164.9377 | 485.2127 | -0.0000 | 0.0000 | 3212.1842 |