Array ( [0] => Array ( [id] => 1627 [topology] => 4<sup>7</sup>T31 [link_rcsr] => [in_col] => 7 [transitivity] => [7(15)(15)6] [space_group] => P-1 [pearson] => aP14 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>7</sup>T31 [sp_atoms] => [caid] => 502 [nn] => 0 [name] => [pressure] => [density] => 3.366 [e_gap] => [energy] => 1.075 [bulk_mod] => 382.5 [shear_mod] => 414.0 [vicker_hard] => 76.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1628 [topology] => 4<sup>7</sup>T31 [link_rcsr] => [in_col] => 7 [transitivity] => [7(15)(15)6] [space_group] => P-1 [pearson] => aP14 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>7</sup>T31 [sp_atoms] => [caid] => 502 [nn] => 1 [name] => G215 [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: 502 Topology: 47T31 # of independent nodes (IN): 7 Transitivity: [7(15)(15)6] 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 |
---|---|---|---|---|---|---|---|---|
47T31 (SACADA #502) | 3.366 | 1.075 | 382.5 | 414.0 | 76.8 | SACADA¹ | ||
G215 | doi: 10.1002/cphc.201700151 ![]() |
9560.6690 | 1032.2805 | 1198.5912 | -161.2701 | -71.1383 | -116.1910 |
1032.2805 | 8456.0114 | 1500.8260 | -488.8963 | 369.9736 | -101.6549 |
1198.5912 | 1500.8260 | 8997.1992 | 303.0342 | 194.9372 | -104.3690 |
-161.2701 | -488.8963 | 303.0342 | 4257.4260 | -261.2042 | 196.3184 |
-71.1383 | 369.9736 | 194.9372 | -261.2042 | 4449.4187 | -106.4184 |
-116.1910 | -101.6549 | -104.3690 | 196.3184 | -106.4184 | 4314.5452 |