Array ( [0] => Array ( [id] => 1451 [topology] => 4<sup>5</sup>T56 [link_rcsr] => [in_col] => 5 [transitivity] => [5(12)(10)5] [space_group] => P-1 [pearson] => aP10 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T56 [sp_atoms] => [caid] => 414 [nn] => 0 [name] => [pressure] => [density] => 3.487 [e_gap] => [energy] => 0.838 [bulk_mod] => 416.0 [shear_mod] => 473.3 [vicker_hard] => 89.0 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1452 [topology] => 4<sup>5</sup>T56 [link_rcsr] => [in_col] => 5 [transitivity] => [5(12)(10)5] [space_group] => P-1 [pearson] => aP10 [cn] => 4 [Year] => 2017 [cn_sort] => 004- [topology_str] => 4<sup>5</sup>T56 [sp_atoms] => [caid] => 414 [nn] => 1 [name] => G112 [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: 414 Topology: 45T56 # of independent nodes (IN): 5 Transitivity: [5(12)(10)5] Space Group: P-1 Pearson: aP10 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 |
---|---|---|---|---|---|---|---|---|
45T56 (SACADA #414) | 3.487 | 0.838 | 416.0 | 473.3 | 89.0 | SACADA¹ | ||
G112 | doi: 10.1002/cphc.201700151 ![]() |
11976.2362 | 404.1043 | 772.6135 | 102.6435 | 156.1183 | -215.9824 |
404.1043 | 10124.1015 | 1206.9417 | 350.6411 | -844.3060 | 26.9220 |
772.6135 | 1206.9417 | 10636.9612 | 6.6903 | 503.8765 | -517.1861 |
102.6435 | 350.6411 | 6.6903 | 4203.0180 | -362.2158 | 203.7561 |
156.1183 | -844.3060 | 503.8765 | -362.2158 | 4474.6609 | 301.5630 |
-215.9824 | 26.9220 | -517.1861 | 203.7561 | 301.5630 | 5119.9843 |