Array ( [0] => Array ( [id] => 545 [topology] => bcp-3,3,-I-4m2 [link_rcsr] => [in_col] => 2 [transitivity] => [2332] [space_group] => I-4m2 [pearson] => tI12 [cn] => 3 [Year] => 2001 [cn_sort] => 003- [topology_str] => bcp-3,3,-I-4m2 [sp_atoms] => [caid] => 104 [nn] => 0 [name] => [pressure] => [density] => 2.251 [e_gap] => [energy] => 1.781 [bulk_mod] => - [shear_mod] => - [vicker_hard] => - [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 546 [topology] => bcp-3,3,-I-4m2 [link_rcsr] => [in_col] => 2 [transitivity] => [2332] [space_group] => I-4m2 [pearson] => tI12 [cn] => 3 [Year] => 2001 [cn_sort] => 003- [topology_str] => bcp-3,3,-I-4m2 [sp_atoms] => [caid] => 104 [nn] => 1 [name] => 6(3)1-1a [pressure] => [density] => 2.18 [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2001_ChemPhysLet_337_36 [publ_year] => 2001 [ref] => ) )
SACADA Database Code: 104 Topology: bcp-3,3,-I-4m2 # of independent nodes (IN): 2 Transitivity: [2332] Space Group: I-4m2 Pearson: tI12 Coordination Number (CN): 3 Year: 2001 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
bcp-3,3,-I-4m2 (SACADA #104) | 2.251 | 1.781 | - | - | - | SACADA¹ | ||
6(3)1-1a | 2.18 | doi: 10.1016/S0009-2614(01)00126-9 ![]() |
7340.7856 | 1542.0360 | 724.3290 | 0.0000 | 0.0000 | -0.0000 |
1542.0360 | 7340.7856 | 724.3290 | -0.0000 | -0.0000 | 0.0000 |
724.3290 | 724.3290 | 933.2509 | -0.0000 | -0.0000 | 0.0000 |
0.0000 | -0.0000 | -0.0000 | 699.2574 | -0.0000 | 0.0000 |
0.0000 | -0.0000 | -0.0000 | -0.0000 | -1677.8932 | 0.0000 |
-0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | -1677.9152 |