Array
(
[0] => Array
(
[id] => 1755
[topology] => 4<sup>3</sup>T63-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3873]
[space_group] => P2/n
[pearson] => mP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T63-CA
[sp_atoms] =>
[caid] => 566
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.478
[e_gap] =>
[energy] => 0.899
[bulk_mod] => 376.1
[shear_mod] => 403.8
[vicker_hard] => 74.7
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1756
[topology] => 4<sup>3</sup>T63-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3873]
[space_group] => P2/n
[pearson] => mP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T63-CA
[sp_atoms] =>
[caid] => 566
[nn] => 1
[name] => 4<sup>3</sup>T63-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: 566 Topology: 43T63-CA # of independent nodes (IN): 3 Transitivity: [3873] Space Group: P2/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 |
|---|---|---|---|---|---|---|---|---|
| 43T63-CA (SACADA #566) | 3.478 | 0.899 | 376.1 | 403.8 | 74.7 | SACADA¹ | ||
| 43T63-CA | doi: 10.1038/s41524-021-00491-y |
| 9455.2920 | 28.1089 | 1045.1990 | 0.0000 | -0.0000 | 296.5338 |
| 28.1089 | 10681.4968 | 473.5838 | 0.0000 | 0.0000 | -588.2510 |
| 1045.1990 | 473.5838 | 10699.9963 | -0.0000 | -0.0000 | 519.6490 |
| 0.0000 | 0.0000 | -0.0000 | 2756.6197 | 241.5712 | 0.0000 |
| -0.0000 | 0.0000 | -0.0000 | 241.5712 | 3956.7386 | 0.0000 |
| 296.5338 | -588.2510 | 519.6490 | 0.0000 | 0.0000 | 4180.0990 |