Array ( [0] => Array ( [id] => 1302 [topology] => sig [link_rcsr] => http://rcsr.net/nets/sig [in_col] => 17 [transitivity] => [(17)(29)(20)5] [space_group] => P42/mnm [pearson] => tP172 [cn] => 4 [Year] => 1998 [cn_sort] => 004- [topology_str] => sig [sp_atoms] => [caid] => 342 [nn] => 0 [name] => [pressure] => [density] => 3.077 [e_gap] => [energy] => 0.705 [bulk_mod] => 366.0 [shear_mod] => 417.9 [vicker_hard] => 78.6 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1303 [topology] => sig [link_rcsr] => http://rcsr.net/nets/sig [in_col] => 17 [transitivity] => [(17)(29)(20)5] [space_group] => P42/mnm [pearson] => tP172 [cn] => 4 [Year] => 1998 [cn_sort] => 004- [topology_str] => sig [sp_atoms] => [caid] => 342 [nn] => 1 [name] => clathrates III [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/PhilMagLetts_78_21_28_1998 [publ_year] => [ref] => ) [2] => Array ( [id] => 1304 [topology] => sig [link_rcsr] => http://rcsr.net/nets/sig [in_col] => 17 [transitivity] => [(17)(29)(20)5] [space_group] => P42/mnm [pearson] => tP172 [cn] => 4 [Year] => 1998 [cn_sort] => 004- [topology_str] => sig [sp_atoms] => [caid] => 342 [nn] => 2 [name] => clathrates III [pressure] => [density] => 3.07 [e_gap] => [energy] => [bulk_mod] => 400 [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_JPCC_finland [publ_year] => 2011 [ref] => ) [3] => Array ( [id] => 1305 [topology] => sig [link_rcsr] => http://rcsr.net/nets/sig [in_col] => 17 [transitivity] => [(17)(29)(20)5] [space_group] => P42/mnm [pearson] => tP172 [cn] => 4 [Year] => 1998 [cn_sort] => 004- [topology_str] => sig [sp_atoms] => [caid] => 342 [nn] => 3 [name] => clathrates III [pressure] => [density] => 3.07 [e_gap] => 6.1 [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2011_InorgChem_50_1733_1742_1733 [publ_year] => 2011 [ref] => ) )
SACADA Database Code: 342 Topology: sig ![]() # of independent nodes (IN): 17 Transitivity: [(17)(29)(20)5] Space Group: P42/mnm Pearson: tP172 Coordination Number (CN): 4 Year: 1998 ![]() ![]() |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
sig (SACADA #342) | 3.077 | 0.705 | 366.0 | 417.9 | 78.6 | SACADA¹ | ||
clathrates III | link ![]() |
|||||||
clathrates III | 3.07 | 400 | doi: 10.1021/jp205676p ![]() |
|||||
clathrates III | 3.07 | 6.1 | doi: 10.1021/ic102178d ![]() |
9127.9235 | 943.6236 | 968.9382 | -0.0000 | -0.0000 | 0.0000 |
943.6236 | 9127.9235 | 968.9382 | 0.0000 | 0.0000 | -0.0000 |
968.9382 | 968.9382 | 8926.1561 | 0.0000 | -0.0000 | -0.0000 |
-0.0000 | 0.0000 | -0.0000 | 4191.4314 | -0.0000 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | 0.0000 | 4305.4284 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | 0.0000 | 0.0000 | 4305.4284 |