Array ( [0] => Array ( [id] => 1511 [topology] => 4<sup>6</sup>T36 [link_rcsr] => [in_col] => 6 [transitivity] => [6(12)71] [space_group] => P21 [pearson] => mP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T36 [sp_atoms] => [caid] => 444 [nn] => 0 [name] => [pressure] => [density] => 3.320 [e_gap] => [energy] => 1.160 [bulk_mod] => 368.0 [shear_mod] => 382.8 [vicker_hard] => 70.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1512 [topology] => 4<sup>6</sup>T36 [link_rcsr] => [in_col] => 6 [transitivity] => [6(12)71] [space_group] => P21 [pearson] => mP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T36 [sp_atoms] => [caid] => 444 [nn] => 1 [name] => G150 [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: 444 Topology: 46T36 # of independent nodes (IN): 6 Transitivity: [6(12)71] Space Group: P21 Pearson: mP12 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 |
---|---|---|---|---|---|---|---|---|
46T36 (SACADA #444) | 3.320 | 1.160 | 368.0 | 382.8 | 70.0 | SACADA¹ | ||
G150 | doi: 10.1002/cphc.201700151 ![]() |
8805.3642 | 889.8421 | 1101.4118 | 0.0000 | -0.0000 | -318.8340 |
889.8421 | 8493.1290 | 1408.3293 | -0.0000 | -0.0000 | 162.3930 |
1101.4118 | 1408.3293 | 9052.1982 | -0.0000 | -0.0000 | -300.9576 |
0.0000 | -0.0000 | -0.0000 | 3567.0082 | -542.7176 | -0.0000 |
-0.0000 | -0.0000 | -0.0000 | -542.7176 | 4049.9024 | 0.0000 |
-318.8340 | 162.3930 | -300.9576 | -0.0000 | 0.0000 | 3894.5719 |