Array ( [0] => Array ( [id] => 1360 [topology] => 4<sup>4</sup>T111 [link_rcsr] => [in_col] => 4 [transitivity] => [4664] [space_group] => I212121 [pearson] => oI20 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T111 [sp_atoms] => [caid] => 369 [nn] => 0 [name] => [pressure] => [density] => 3.413 [e_gap] => [energy] => 0.832 [bulk_mod] => 404.7 [shear_mod] => 440.2 [vicker_hard] => 81.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1361 [topology] => 4<sup>4</sup>T111 [link_rcsr] => [in_col] => 4 [transitivity] => [4664] [space_group] => I212121 [pearson] => oI20 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>4</sup>T111 [sp_atoms] => [caid] => 369 [nn] => 1 [name] => G27 [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: 369 Topology: 44T111 # of independent nodes (IN): 4 Transitivity: [4664] Space Group: I212121 Pearson: oI20 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 |
---|---|---|---|---|---|---|---|---|
44T111 (SACADA #369) | 3.413 | 0.832 | 404.7 | 440.2 | 81.8 | SACADA¹ | ||
G27 | doi: 10.1002/cphc.201700151 ![]() |
8969.8356 | 1231.2068 | 1532.1107 | -0.0000 | 0.0000 | -0.0000 |
1231.2068 | 10814.9386 | 637.1528 | 0.0000 | -0.0000 | -0.0000 |
1532.1107 | 637.1528 | 9867.3419 | 0.0000 | 0.0000 | -0.0000 |
0.0000 | -0.0000 | 0.0000 | 5238.3955 | 0.0000 | 0.0000 |
0.0000 | -0.0000 | 0.0000 | 0.0000 | 3716.9987 | 0.0000 |
-0.0000 | -0.0000 | -0.0000 | 0.0000 | 0.0000 | 4503.8938 |