Array ( [0] => Array ( [id] => 1631 [topology] => 4<sup>3</sup>T187 [link_rcsr] => [in_col] => 3 [transitivity] => [3883] [space_group] => C2/c [pearson] => mS24 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>3</sup>T187 [sp_atoms] => [caid] => 504 [nn] => 0 [name] => [pressure] => [density] => 3.320 [e_gap] => [energy] => 0.978 [bulk_mod] => 382.1 [shear_mod] => 400.5 [vicker_hard] => 73.5 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1632 [topology] => 4<sup>3</sup>T187 [link_rcsr] => [in_col] => 3 [transitivity] => [3883] [space_group] => C2/c [pearson] => mS24 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>3</sup>T187 [sp_atoms] => [caid] => 504 [nn] => 1 [name] => G217 [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: 504 Topology: 43T187 # of independent nodes (IN): 3 Transitivity: [3883] Space Group: C2/c Pearson: mS24 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 |
---|---|---|---|---|---|---|---|---|
43T187 (SACADA #504) | 3.320 | 0.978 | 382.1 | 400.5 | 73.5 | SACADA¹ | ||
G217 | doi: 10.1002/cphc.201700151 ![]() |
9554.9218 | 860.4384 | 857.0890 | 0.0000 | -0.0000 | 620.3190 |
860.4384 | 8433.4334 | 757.2411 | -0.0000 | 0.0000 | -253.3970 |
857.0890 | 757.2411 | 11751.1022 | -0.0000 | 0.0000 | -366.9321 |
0.0000 | -0.0000 | -0.0000 | 3008.3198 | -70.1114 | 0.0000 |
-0.0000 | 0.0000 | 0.0000 | -70.1114 | 3610.0035 | 0.0000 |
620.3190 | -253.3970 | -366.9321 | 0.0000 | 0.0000 | 4685.2406 |