Array ( [0] => Array ( [id] => 1653 [topology] => 4<sup>4</sup>T125 [link_rcsr] => [in_col] => 4 [transitivity] => [4951] [space_group] => P2/m1 [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T125 [sp_atoms] => [caid] => 515 [nn] => 0 [name] => [pressure] => [density] => 3.431 [e_gap] => [energy] => 0.785 [bulk_mod] => 407.5 [shear_mod] => 456.8 [vicker_hard] => 85.6 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1654 [topology] => 4<sup>4</sup>T125 [link_rcsr] => [in_col] => 4 [transitivity] => [4951] [space_group] => P2/m1 [pearson] => mP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T125 [sp_atoms] => [caid] => 515 [nn] => 1 [name] => G230 [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: 515 Topology: 44T125 # of independent nodes (IN): 4 Transitivity: [4951] Space Group: P2/m1 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 |
---|---|---|---|---|---|---|---|---|
44T125 (SACADA #515) | 3.431 | 0.785 | 407.5 | 456.8 | 85.6 | SACADA¹ | ||
G230 | doi: 10.1002/cphc.201700151 ![]() |
10439.2400 | 1331.3578 | 759.8437 | 0.0000 | 0.0000 | -91.0916 |
1331.3578 | 9121.6804 | 1469.6468 | 0.0000 | -0.0000 | 4.3780 |
759.8437 | 1469.6468 | 10005.7810 | -0.0000 | -0.0000 | 374.4201 |
0.0000 | 0.0000 | -0.0000 | 5291.4407 | 33.2237 | -0.0000 |
0.0000 | 0.0000 | -0.0000 | 33.2237 | 4503.5261 | 0.0000 |
-91.0916 | 4.3780 | 374.4201 | -0.0000 | -0.0000 | 4480.3806 |