Array ( [0] => Array ( [id] => 1647 [topology] => 4<sup>3</sup>T91 [link_rcsr] => [in_col] => 3 [transitivity] => [3542] [space_group] => Pnma [pearson] => oP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>3</sup>T91 [sp_atoms] => [caid] => 512 [nn] => 0 [name] => [pressure] => [density] => 3.308 [e_gap] => [energy] => 0.872 [bulk_mod] => 384.0 [shear_mod] => 389.6 [vicker_hard] => 70.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1648 [topology] => 4<sup>3</sup>T91 [link_rcsr] => [in_col] => 3 [transitivity] => [3542] [space_group] => Pnma [pearson] => oP12 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>3</sup>T91 [sp_atoms] => [caid] => 512 [nn] => 1 [name] => G227 [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: 512 Topology: 43T91 # of independent nodes (IN): 3 Transitivity: [3542] Space Group: Pnma Pearson: oP12 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 |
---|---|---|---|---|---|---|---|---|
43T91 (SACADA #512) | 3.308 | 0.872 | 384.0 | 389.6 | 70.4 | SACADA¹ | ||
G227 | doi: 10.1002/cphc.201700151 ![]() |
9889.4818 | 635.3095 | 1040.4970 | -0.0000 | 0.0000 | 0.0000 |
635.3095 | 10484.0575 | 560.9070 | 0.0000 | -0.0000 | -0.0000 |
1040.4970 | 560.9070 | 9722.8219 | -0.0000 | -0.0000 | 0.0000 |
-0.0000 | 0.0000 | -0.0000 | 3917.2181 | 0.0000 | -0.0000 |
0.0000 | -0.0000 | -0.0000 | 0.0000 | 3840.0182 | 0.0000 |
0.0000 | -0.0000 | 0.0000 | -0.0000 | 0.0000 | 2785.8236 |