Array ( [0] => Array ( [id] => 1433 [topology] => 4<sup>3</sup>T174 [link_rcsr] => [in_col] => 3 [transitivity] => [3452] [space_group] => I-42d [pearson] => tI28 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>3</sup>T174 [sp_atoms] => [caid] => 405 [nn] => 0 [name] => [pressure] => [density] => 3.405 [e_gap] => [energy] => 0.981 [bulk_mod] => 383.5 [shear_mod] => 427.5 [vicker_hard] => 80.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1434 [topology] => 4<sup>3</sup>T174 [link_rcsr] => [in_col] => 3 [transitivity] => [3452] [space_group] => I-42d [pearson] => tI28 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>3</sup>T174 [sp_atoms] => [caid] => 405 [nn] => 1 [name] => G96 [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: 405 Topology: 43T174 # of independent nodes (IN): 3 Transitivity: [3452] Space Group: I-42d Pearson: tI28 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 |
---|---|---|---|---|---|---|---|---|
43T174 (SACADA #405) | 3.405 | 0.981 | 383.5 | 427.5 | 80.0 | SACADA¹ | ||
G96 | doi: 10.1002/cphc.201700151 ![]() |
8666.7216 | 1127.5436 | 1247.0022 | 0.0000 | -0.0000 | -0.0000 |
1127.5436 | 8666.7216 | 1247.0022 | -0.0000 | 0.0000 | -0.0000 |
1247.0022 | 1247.0022 | 10024.8875 | -0.0000 | -0.0000 | -0.0000 |
0.0000 | -0.0000 | -0.0000 | 4229.1720 | -0.0000 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | -0.0000 | 4654.0201 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | -0.0000 | 0.0000 | 4654.0201 |