Array ( [0] => Array ( [id] => 1513 [topology] => 4<sup>6</sup>T37 [link_rcsr] => [in_col] => 6 [transitivity] => [6(14)92] [space_group] => P-1 [pearson] => aP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T37 [sp_atoms] => [caid] => 445 [nn] => 0 [name] => [pressure] => [density] => 3.376 [e_gap] => [energy] => 0.798 [bulk_mod] => 398.9 [shear_mod] => 437.2 [vicker_hard] => 81.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1514 [topology] => 4<sup>6</sup>T37 [link_rcsr] => [in_col] => 6 [transitivity] => [6(14)92] [space_group] => P-1 [pearson] => aP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T37 [sp_atoms] => [caid] => 445 [nn] => 1 [name] => G151 [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: 445 Topology: 46T37 # of independent nodes (IN): 6 Transitivity: [6(14)92] Space Group: P-1 Pearson: aP12 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 |
---|---|---|---|---|---|---|---|---|
46T37 (SACADA #445) | 3.376 | 0.798 | 398.9 | 437.2 | 81.5 | SACADA¹ | ||
G151 | doi: 10.1002/cphc.201700151 ![]() |
8793.7065 | 1742.5103 | 1032.4160 | 100.6696 | 156.6752 | 43.7150 |
1742.5103 | 8827.5202 | 1020.2716 | -65.8487 | -193.0896 | 81.0835 |
1032.4160 | 1020.2716 | 10747.7832 | 146.6321 | -296.9686 | -235.4079 |
100.6696 | -65.8487 | 146.6321 | 4626.4330 | -143.7489 | -38.5901 |
156.6752 | -193.0896 | -296.9686 | -143.7489 | 4570.2370 | 376.5069 |
43.7150 | 81.0835 | -235.4079 | -38.5901 | 376.5069 | 4623.2875 |