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 |
|
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 |