Array ( [0] => Array ( [id] => 1539 [topology] => 4<sup>16</sup>T16 [link_rcsr] => [in_col] => 16 [transitivity] => [(16)(24)(21)(13)] [space_group] => Cm [pearson] => mS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>16</sup>T16 [sp_atoms] => [caid] => 458 [nn] => 0 [name] => [pressure] => [density] => 3.419 [e_gap] => [energy] => 0.777 [bulk_mod] => 396.4 [shear_mod] => 445.1 [vicker_hard] => 83.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1540 [topology] => 4<sup>16</sup>T16 [link_rcsr] => [in_col] => 16 [transitivity] => [(16)(24)(21)(13)] [space_group] => Cm [pearson] => mS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>16</sup>T16 [sp_atoms] => [caid] => 458 [nn] => 1 [name] => G165 [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: 458 Topology: 416T16 # of independent nodes (IN): 16 Transitivity: [(16)(24)(21)(13)] Space Group: Cm Pearson: mS32 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 |
---|---|---|---|---|---|---|---|---|
416T16 (SACADA #458) | 3.419 | 0.777 | 396.4 | 445.1 | 83.5 | SACADA¹ | ||
G165 | doi: 10.1002/cphc.201700151 ![]() |
10294.8884 | 935.9002 | 1089.7701 | 0.0000 | -0.0000 | -190.0935 |
935.9002 | 10924.3138 | 471.2930 | 0.0000 | -0.0000 | 182.4971 |
1089.7701 | 471.2930 | 9515.5795 | -0.0000 | 0.0000 | -358.1963 |
0.0000 | 0.0000 | -0.0000 | 5096.5260 | 138.0230 | 0.0000 |
-0.0000 | -0.0000 | 0.0000 | 138.0230 | 3915.5827 | -0.0000 |
-190.0935 | 182.4971 | -358.1963 | 0.0000 | -0.0000 | 3972.6380 |