Array ( [0] => Array ( [id] => 1743 [topology] => 4<sup>3</sup>T57-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3752] [space_group] => P21/c [pearson] => mP12 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T57-CA [sp_atoms] => [caid] => 560 [nn] => 0 [name] => [pressure] => [density] => 3.244 [e_gap] => [energy] => 0.577 [bulk_mod] => 346.8 [shear_mod] => 358.3 [vicker_hard] => 65.4 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1744 [topology] => 4<sup>3</sup>T57-CA [link_rcsr] => [in_col] => 3 [transitivity] => [3752] [space_group] => P21/c [pearson] => mP12 [cn] => 4 [Year] => 2021 [cn_sort] => 004- [topology_str] => 4^3T57-CA [sp_atoms] => [caid] => 560 [nn] => 1 [name] => 4<sup>3</sup>T57-CA [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2021_npjComputMater_7_15 [publ_year] => 2021 [ref] => doi: <a href="http://doi.org/10.1038/s41524-021-00491-y" target="_blank">10.1038/s41524-021-00491-y</a> ) )
SACADA Database Code: 560 Topology: 43T57-CA # of independent nodes (IN): 3 Transitivity: [3752] Space Group: P21/c Pearson: mP12 Coordination Number (CN): 4 Year: 2021 Download CIF File Download PDF report |
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|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
43T57-CA (SACADA #560) | 3.244 | 0.577 | 346.8 | 358.3 | 65.4 | SACADA¹ | ||
43T57-CA | doi: 10.1038/s41524-021-00491-y |
8537.7770 | 615.8150 | 837.6338 | -0.0000 | -0.0000 | -123.4814 |
615.8150 | 8013.7576 | 1416.9961 | -0.0000 | -0.0000 | 23.2401 |
837.6338 | 1416.9961 | 8985.1648 | -0.0000 | 0.0000 | -774.1197 |
-0.0000 | -0.0000 | -0.0000 | 2813.0914 | -79.6172 | -0.0000 |
-0.0000 | -0.0000 | 0.0000 | -79.6172 | 4494.0449 | -0.0000 |
-123.4814 | 23.2401 | -774.1197 | -0.0000 | -0.0000 | 3295.0413 |