Array ( [0] => Array ( [id] => 1551 [topology] => 4<sup>16</sup>T21 [link_rcsr] => [in_col] => 16 [transitivity] => [(16)(32)(21)5] [space_group] => P1 [pearson] => aP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>16</sup>T21 [sp_atoms] => [caid] => 464 [nn] => 0 [name] => [pressure] => [density] => 3.287 [e_gap] => [energy] => 0.954 [bulk_mod] => 376.8 [shear_mod] => 377.9 [vicker_hard] => 68.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1552 [topology] => 4<sup>16</sup>T21 [link_rcsr] => [in_col] => 16 [transitivity] => [(16)(32)(21)5] [space_group] => P1 [pearson] => aP16 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>16</sup>T21 [sp_atoms] => [caid] => 464 [nn] => 1 [name] => G172 [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: 464 Topology: 416T21 # of independent nodes (IN): 16 Transitivity: [(16)(32)(21)5] 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 |
---|---|---|---|---|---|---|---|---|
416T21 (SACADA #464) | 3.287 | 0.954 | 376.8 | 377.9 | 68.0 | SACADA¹ | ||
G172 | doi: 10.1002/cphc.201700151 ![]() |
8468.0922 | 1353.1581 | 1343.6932 | 177.8509 | 85.6694 | 129.4373 |
1353.1581 | 8804.5685 | 1132.7204 | 304.0445 | 158.5912 | 30.2540 |
1343.6932 | 1132.7204 | 8980.8025 | 245.7557 | -184.3665 | 124.8645 |
177.8509 | 304.0445 | 245.7557 | 3655.9666 | -89.6264 | 314.1369 |
85.6694 | 158.5912 | -184.3665 | -89.6264 | 3958.3366 | 92.4366 |
129.4373 | 30.2540 | 124.8645 | 314.1369 | 92.4366 | 3854.4834 |