Array ( [0] => Array ( [id] => 1463 [topology] => 4<sup>4</sup>T85 [link_rcsr] => [in_col] => 4 [transitivity] => [4951] [space_group] => P21/c [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T85 [sp_atoms] => [caid] => 420 [nn] => 0 [name] => [pressure] => [density] => 3.408 [e_gap] => [energy] => 0.767 [bulk_mod] => 403.4 [shear_mod] => 456.7 [vicker_hard] => 85.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1464 [topology] => 4<sup>4</sup>T85 [link_rcsr] => [in_col] => 4 [transitivity] => [4951] [space_group] => P21/c [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T85 [sp_atoms] => [caid] => 420 [nn] => 1 [name] => G120 [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: 420 Topology: 44T85 # of independent nodes (IN): 4 Transitivity: [4951] 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 |
---|---|---|---|---|---|---|---|---|
44T85 (SACADA #420) | 3.408 | 0.767 | 403.4 | 456.7 | 85.8 | SACADA¹ | ||
G120 | doi: 10.1002/cphc.201700151 ![]() |
8624.4633 | 1488.6138 | 1369.6182 | 0.0000 | -0.0000 | -85.9337 |
1488.6138 | 9798.7762 | 742.7140 | -0.0000 | -0.0000 | 351.8621 |
1369.6182 | 742.7140 | 10733.6013 | 0.0000 | -0.0000 | -250.3149 |
0.0000 | -0.0000 | 0.0000 | 4862.3653 | 291.9470 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | 291.9470 | 4426.8798 | -0.0000 |
-85.9337 | 351.8621 | -250.3149 | 0.0000 | -0.0000 | 5180.9158 |