Array ( [0] => Array ( [id] => 1577 [topology] => 4<sup>12</sup>T6 [link_rcsr] => [in_col] => 12 [transitivity] => [(12)(24)(15)3] [space_group] => P1 [pearson] => aP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>12</sup>T6 [sp_atoms] => [caid] => 477 [nn] => 0 [name] => [pressure] => [density] => 3.325 [e_gap] => [energy] => 1.140 [bulk_mod] => 372.0 [shear_mod] => 385.1 [vicker_hard] => 70.3 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1578 [topology] => 4<sup>12</sup>T6 [link_rcsr] => [in_col] => 12 [transitivity] => [(12)(24)(15)3] [space_group] => P1 [pearson] => aP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>12</sup>T6 [sp_atoms] => [caid] => 477 [nn] => 1 [name] => G185 [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: 477 Topology: 412T6 # of independent nodes (IN): 12 Transitivity: [(12)(24)(15)3] Space Group: P1 Pearson: aP12 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 |
---|---|---|---|---|---|---|---|---|
412T6 (SACADA #477) | 3.325 | 1.140 | 372.0 | 385.1 | 70.3 | SACADA¹ | ||
G185 | doi: 10.1002/cphc.201700151 ![]() |
8234.7988 | 1315.4386 | 1212.3931 | -193.7530 | -75.3809 | -113.8313 |
1315.4386 | 8671.8511 | 1489.5738 | 42.8903 | 241.1349 | -104.3564 |
1212.3931 | 1489.5738 | 8610.7947 | -16.4927 | 513.1497 | -348.5449 |
-193.7530 | 42.8903 | -16.4927 | 3729.0119 | 4.0074 | 244.9224 |
-75.3809 | 241.1349 | 513.1497 | 4.0074 | 4132.5804 | 22.0375 |
-113.8313 | -104.3564 | -348.5449 | 244.9224 | 22.0375 | 4331.1689 |