Array
(
[0] => Array
(
[id] => 1713
[topology] => 4<sup>2</sup>T131
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2552]
[space_group] => P42/nmc
[pearson] => tP24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T131
[sp_atoms] =>
[caid] => 545
[nn] => 0
[name] =>
[pressure] =>
[density] => 2.974
[e_gap] =>
[energy] => 0.612
[bulk_mod] => 326.5
[shear_mod] => 266.0
[vicker_hard] => 38.5
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1714
[topology] => 4<sup>2</sup>T131
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2552]
[space_group] => P42/nmc
[pearson] => tP24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T131
[sp_atoms] =>
[caid] => 545
[nn] => 1
[name] => 4<sup>2</sup>T131
[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: 545 Topology: 42T131 # of independent nodes (IN): 2 Transitivity: [2552] Space Group: P42/nmc Pearson: tP24 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 |
|---|---|---|---|---|---|---|---|---|
| 42T131 (SACADA #545) | 2.974 | 0.612 | 326.5 | 266.0 | 38.5 | SACADA¹ | ||
| 42T131 | doi: 10.1038/s41524-021-00491-y |
| 5608.5837 | 1661.7569 | 1721.9494 | 4.7061 | -1.2124 | 3.2933 |
| 1661.7569 | 5608.9199 | 1722.5440 | 1.2385 | 1.7798 | -0.2241 |
| 1721.9494 | 1722.5440 | 8440.5105 | 8.1028 | -0.6746 | -0.3219 |
| 4.7061 | 1.2385 | 8.1028 | 2337.8439 | 0.7179 | 0.4511 |
| -1.2124 | 1.7798 | -0.6746 | 0.7179 | 3193.2447 | 3.7903 |
| 3.2933 | -0.2241 | -0.3219 | 0.4511 | 3.7903 | 3199.0839 |