Array ( [0] => Array ( [id] => 1342 [topology] => 4<sup>7</sup>T21 [link_rcsr] => [in_col] => 7 [transitivity] => [7(16)(12)3] [space_group] => P-1 [pearson] => aP14 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>7</sup>T21 [sp_atoms] => [caid] => 360 [nn] => 0 [name] => [pressure] => [density] => 3.476 [e_gap] => [energy] => 0.872 [bulk_mod] => 404.8 [shear_mod] => 461.2 [vicker_hard] => 86.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1343 [topology] => 4<sup>7</sup>T21 [link_rcsr] => [in_col] => 7 [transitivity] => [7(16)(12)3] [space_group] => P-1 [pearson] => aP14 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>7</sup>T21 [sp_atoms] => [caid] => 360 [nn] => 1 [name] => G11 [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: 360 Topology: 47T21 # of independent nodes (IN): 7 Transitivity: [7(16)(12)3] Space Group: P-1 Pearson: aP14 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 |
---|---|---|---|---|---|---|---|---|
47T21 (SACADA #360) | 3.476 | 0.872 | 404.8 | 461.2 | 86.8 | SACADA¹ | ||
G11 | doi: 10.1002/cphc.201700151 ![]() |
11045.0955 | 795.9576 | 1096.1486 | 194.3591 | -44.8639 | -305.6759 |
795.9576 | 9638.6348 | 1557.9314 | -183.3731 | 278.2791 | 213.3483 |
1096.1486 | 1557.9314 | 8904.0595 | 46.5300 | -337.8841 | -294.5845 |
194.3591 | -183.3731 | 46.5300 | 5003.4066 | -0.7939 | 139.3459 |
-44.8639 | 278.2791 | -337.8841 | -0.7939 | 4654.2929 | 266.9364 |
-305.6759 | 213.3483 | -294.5845 | 139.3459 | 266.9364 | 4840.3085 |