Array ( [0] => Array ( [id] => 1427 [topology] => 4<sup>5</sup>T54 [link_rcsr] => [in_col] => 5 [transitivity] => [5896] [space_group] => Cmmm [pearson] => oS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T54 [sp_atoms] => [caid] => 402 [nn] => 0 [name] => [pressure] => [density] => 3.369 [e_gap] => [energy] => 0.816 [bulk_mod] => 387.5 [shear_mod] => 388.2 [vicker_hard] => 69.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1428 [topology] => 4<sup>5</sup>T54 [link_rcsr] => [in_col] => 5 [transitivity] => [5896] [space_group] => Cmmm [pearson] => oS32 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T54 [sp_atoms] => [caid] => 402 [nn] => 1 [name] => G93 [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: 402 Topology: 45T54 # of independent nodes (IN): 5 Transitivity: [5896] Space Group: Cmmm Pearson: oS32 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 |
---|---|---|---|---|---|---|---|---|
45T54 (SACADA #402) | 3.369 | 0.816 | 387.5 | 388.2 | 69.8 | SACADA¹ | ||
G93 | doi: 10.1002/cphc.201700151 ![]() |
10084.3702 | 1085.2420 | 531.2712 | 0.0000 | -0.0000 | -0.0115 |
1085.2420 | 10714.7278 | 251.8412 | 0.0000 | -0.0000 | -0.0010 |
531.2712 | 251.8412 | 10357.8083 | 0.0000 | 0.0000 | -0.0117 |
0.0000 | 0.0000 | 0.0000 | 4345.0871 | -0.0060 | -0.0000 |
-0.0000 | -0.0000 | 0.0000 | -0.0060 | 3638.4745 | 0.0000 |
-0.0115 | -0.0010 | -0.0117 | -0.0000 | 0.0000 | 2376.6163 |