Array ( [0] => Array ( [id] => 1543 [topology] => 4<sup>5</sup>T59 [link_rcsr] => [in_col] => 5 [transitivity] => [5(10)(10)5] [space_group] => P2/c [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T59 [sp_atoms] => [caid] => 460 [nn] => 0 [name] => [pressure] => [density] => 3.381 [e_gap] => [energy] => 0.926 [bulk_mod] => 390.2 [shear_mod] => 427.0 [vicker_hard] => 79.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1544 [topology] => 4<sup>5</sup>T59 [link_rcsr] => [in_col] => 5 [transitivity] => [5(10)(10)5] [space_group] => P2/c [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T59 [sp_atoms] => [caid] => 460 [nn] => 1 [name] => G167 [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: 460 Topology: 45T59 # of independent nodes (IN): 5 Transitivity: [5(10)(10)5] Space Group: P2/c Pearson: mP16 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 |
---|---|---|---|---|---|---|---|---|
45T59 (SACADA #460) | 3.381 | 0.926 | 390.2 | 427.0 | 79.5 | SACADA¹ | ||
G167 | doi: 10.1002/cphc.201700151 ![]() |
8512.1590 | 1282.5347 | 1592.9582 | -0.0000 | -0.0000 | 4.2228 |
1282.5347 | 9948.4987 | 892.7446 | -0.0000 | -0.0000 | 174.2238 |
1592.9582 | 892.7446 | 9139.6588 | 0.0000 | 0.0000 | 156.8968 |
-0.0000 | -0.0000 | 0.0000 | 5022.5731 | 67.2485 | 0.0000 |
-0.0000 | -0.0000 | 0.0000 | 67.2485 | 4149.2062 | 0.0000 |
4.2228 | 174.2238 | 156.8968 | 0.0000 | 0.0000 | 4365.7254 |