Array ( [0] => Array ( [id] => 1531 [topology] => 4<sup>16</sup>T14 [link_rcsr] => [in_col] => 16 [transitivity] => [(16)(32)(19)3] [space_group] => P1 [pearson] => aP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>16</sup>T14 [sp_atoms] => [caid] => 454 [nn] => 0 [name] => [pressure] => [density] => 3.384 [e_gap] => [energy] => 0.974 [bulk_mod] => 387.2 [shear_mod] => 416.4 [vicker_hard] => 77.1 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1532 [topology] => 4<sup>16</sup>T14 [link_rcsr] => [in_col] => 16 [transitivity] => [(16)(32)(19)3] [space_group] => P1 [pearson] => aP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>16</sup>T14 [sp_atoms] => [caid] => 454 [nn] => 1 [name] => G161 [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: 454 Topology: 416T14 # of independent nodes (IN): 16 Transitivity: [(16)(32)(19)3] Space Group: P1 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 |
---|---|---|---|---|---|---|---|---|
416T14 (SACADA #454) | 3.384 | 0.974 | 387.2 | 416.4 | 77.1 | SACADA¹ | ||
G161 | doi: 10.1002/cphc.201700151 ![]() |
8868.8137 | 1532.5348 | 1200.8755 | -111.1661 | 259.4560 | -186.8678 |
1532.5348 | 8346.2265 | 1222.4556 | -186.6543 | -646.6809 | -20.4081 |
1200.8755 | 1222.4556 | 9904.7937 | -215.8278 | -692.9793 | -67.6695 |
-111.1661 | -186.6543 | -215.8278 | 4289.7290 | 24.0199 | -122.4143 |
259.4560 | -646.6809 | -692.9793 | 24.0199 | 4429.9299 | -69.5229 |
-186.8678 | -20.4081 | -67.6695 | -122.4143 | -69.5229 | 4558.8712 |