Array ( [0] => Array ( [id] => 1567 [topology] => 4<sup>8</sup>T45 [link_rcsr] => [in_col] => 8 [transitivity] => [8(20)(13)5] [space_group] => P-1 [pearson] => aP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>8</sup>T45 [sp_atoms] => [caid] => 472 [nn] => 0 [name] => [pressure] => [density] => 3.340 [e_gap] => [energy] => 0.813 [bulk_mod] => 396.5 [shear_mod] => 433.5 [vicker_hard] => 80.7 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1568 [topology] => 4<sup>8</sup>T45 [link_rcsr] => [in_col] => 8 [transitivity] => [8(20)(13)5] [space_group] => P-1 [pearson] => aP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>8</sup>T45 [sp_atoms] => [caid] => 472 [nn] => 1 [name] => G180 [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: 472 Topology: 48T45 # of independent nodes (IN): 8 Transitivity: [8(20)(13)5] Space Group: P-1 Pearson: aP16 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 |
---|---|---|---|---|---|---|---|---|
48T45 (SACADA #472) | 3.340 | 0.813 | 396.5 | 433.5 | 80.7 | SACADA¹ | ||
G180 | doi: 10.1002/cphc.201700151 ![]() |
9808.2257 | 1090.6031 | 926.2836 | -147.1945 | 114.2511 | -412.3411 |
1090.6031 | 10147.5002 | 839.1115 | -218.9178 | -504.4125 | 44.1509 |
926.2836 | 839.1115 | 10032.4066 | 110.6286 | 25.8426 | 22.5937 |
-147.1945 | -218.9178 | 110.6286 | 4265.0615 | 11.4826 | 62.6778 |
114.2511 | -504.4125 | 25.8426 | 11.4826 | 4146.7261 | 330.9215 |
-412.3411 | 44.1509 | 22.5937 | 62.6778 | 330.9215 | 4264.4368 |