Array ( [0] => Array ( [id] => 1457 [topology] => 4<sup>4</sup>T117 [link_rcsr] => [in_col] => 4 [transitivity] => [4(10)51] [space_group] => P21/c [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T117 [sp_atoms] => [caid] => 417 [nn] => 0 [name] => [pressure] => [density] => 3.503 [e_gap] => [energy] => 0.894 [bulk_mod] => 399.0 [shear_mod] => 474.4 [vicker_hard] => 89.9 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1458 [topology] => 4<sup>4</sup>T117 [link_rcsr] => [in_col] => 4 [transitivity] => [4(10)51] [space_group] => P21/c [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T117 [sp_atoms] => [caid] => 417 [nn] => 1 [name] => G117 [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: 417 Topology: 44T117 # of independent nodes (IN): 4 Transitivity: [4(10)51] Space Group: P21/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 |
---|---|---|---|---|---|---|---|---|
44T117 (SACADA #417) | 3.503 | 0.894 | 399.0 | 474.4 | 89.9 | SACADA¹ | ||
G117 | doi: 10.1002/cphc.201700151 ![]() |
10728.3187 | 267.4612 | 1172.5934 | 0.0000 | -0.0000 | 246.7680 |
267.4612 | 10949.7435 | 652.7534 | 0.0000 | -0.0000 | -395.4762 |
1172.5934 | 652.7534 | 10046.8869 | -0.0000 | -0.0000 | 96.2284 |
0.0000 | 0.0000 | -0.0000 | 4674.0301 | -385.6278 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | -385.6278 | 4761.8524 | 0.0000 |
246.7680 | -395.4762 | 96.2284 | 0.0000 | 0.0000 | 4450.0651 |