Array ( [0] => Array ( [id] => 837 [topology] => 3<sup>2</sup>,4T97 [link_rcsr] => [in_col] => 3 [transitivity] => [3862] [space_group] => P21/m [pearson] => mP12 [cn] => 3, 4 (2:1) [Year] => 2013 [cn_sort] => 003-004-002-001- [topology_str] => 3<sup>2</sup>,4T97 [sp_atoms] => [caid] => 190 [nn] => 0 [name] => [pressure] => [density] => 2.260 [e_gap] => [energy] => 0.947 [bulk_mod] => 250.6 [shear_mod] => 125.4 [vicker_hard] => 16.3 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 838 [topology] => 3<sup>2</sup>,4T97 [link_rcsr] => [in_col] => 3 [transitivity] => [3862] [space_group] => P21/m [pearson] => mP12 [cn] => 3, 4 (2:1) [Year] => 2013 [cn_sort] => 003-004-002-001- [topology_str] => 3<sup>2</sup>,4T97 [sp_atoms] => [caid] => 190 [nn] => 1 [name] => AGM-12 [pressure] => [density] => 2.23 [e_gap] => 1.66 [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2013_AdvFunctMater [publ_year] => 2013 [ref] => ) )
SACADA Database Code: 190 Topology: 32,4T97 # of independent nodes (IN): 3 Transitivity: [3862] Space Group: P21/m Pearson: mP12 Coordination Number (CN): 3, 4 (2:1) Year: 2013 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
32,4T97 (SACADA #190) | 2.260 | 0.947 | 250.6 | 125.4 | 16.3 | SACADA¹ | ||
AGM-12 | 2.23 | 1.66 | doi: 10.1002/adfm.201301077 ![]() |
3460.2939 | 1629.4777 | 1181.1349 | -0.0000 | -0.0000 | 445.5207 |
1629.4777 | 7052.5112 | 1223.1221 | 0.0000 | -0.0000 | 272.9946 |
1181.1349 | 1223.1221 | 4884.7318 | 0.0000 | 0.0000 | 244.7797 |
-0.0000 | 0.0000 | 0.0000 | 1962.5185 | 531.0581 | 0.0000 |
-0.0000 | -0.0000 | 0.0000 | 531.0581 | 2310.5100 | 0.0000 |
445.5207 | 272.9946 | 244.7797 | 0.0000 | 0.0000 | 262.6498 |