Array ( [0] => Array ( [id] => 1599 [topology] => 4<sup>6</sup>T43 [link_rcsr] => [in_col] => 6 [transitivity] => [6(14)(14)6] [space_group] => P2 [pearson] => mP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T43 [sp_atoms] => [caid] => 488 [nn] => 0 [name] => [pressure] => [density] => 3.491 [e_gap] => [energy] => 0.944 [bulk_mod] => 397.3 [shear_mod] => 462.5 [vicker_hard] => 87.3 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1600 [topology] => 4<sup>6</sup>T43 [link_rcsr] => [in_col] => 6 [transitivity] => [6(14)(14)6] [space_group] => P2 [pearson] => mP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>6</sup>T43 [sp_atoms] => [caid] => 488 [nn] => 1 [name] => G197 [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: 488 Topology: 46T43 # of independent nodes (IN): 6 Transitivity: [6(14)(14)6] Space Group: P2 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 |
---|---|---|---|---|---|---|---|---|
46T43 (SACADA #488) | 3.491 | 0.944 | 397.3 | 462.5 | 87.3 | SACADA¹ | ||
G197 | doi: 10.1002/cphc.201700151 ![]() |
10984.1656 | 373.1110 | 510.0305 | 0.0000 | -0.0000 | -328.1400 |
373.1110 | 11548.5811 | 528.0441 | 0.0000 | -0.0000 | -27.2636 |
510.0305 | 528.0441 | 10424.9132 | 0.0000 | 0.0000 | 264.8283 |
0.0000 | 0.0000 | 0.0000 | 4738.0967 | 37.7531 | 0.0000 |
-0.0000 | -0.0000 | 0.0000 | 37.7531 | 4049.0871 | 0.0000 |
-328.1400 | -27.2636 | 264.8283 | -0.0000 | 0.0000 | 3996.1033 |