Array
(
[0] => Array
(
[id] => 1753
[topology] => 4<sup>3</sup>T62-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3785]
[space_group] => P21/n
[pearson] => mP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T62-CA
[sp_atoms] =>
[caid] => 565
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.097
[e_gap] =>
[energy] => 0.829
[bulk_mod] => 335.9
[shear_mod] => 326.8
[vicker_hard] => 57.7
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1754
[topology] => 4<sup>3</sup>T62-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3785]
[space_group] => P21/n
[pearson] => mP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T62-CA
[sp_atoms] =>
[caid] => 565
[nn] => 1
[name] => 4<sup>3</sup>T62-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: 565 Topology: 43T62-CA # of independent nodes (IN): 3 Transitivity: [3785] Space Group: P21/n 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 |
|---|---|---|---|---|---|---|---|---|
| 43T62-CA (SACADA #565) | 3.097 | 0.829 | 335.9 | 326.8 | 57.7 | SACADA¹ | ||
| 43T62-CA | doi: 10.1038/s41524-021-00491-y |
| 7170.2718 | 728.1508 | 830.7377 | 0.0000 | -0.0000 | -1587.2085 |
| 728.1508 | 10739.0106 | 1053.7222 | -0.0000 | -0.0000 | 1.8043 |
| 830.7377 | 1053.7222 | 7561.0768 | -0.0000 | 0.0000 | -646.7671 |
| 0.0000 | -0.0000 | -0.0000 | 3378.4658 | -765.2067 | -0.0000 |
| -0.0000 | -0.0000 | 0.0000 | -765.2067 | 4249.9408 | 0.0000 |
| -1587.2085 | 1.8043 | -646.7671 | -0.0000 | -0.0000 | 1878.1472 |