Array
(
[0] => Array
(
[id] => 1685
[topology] => 4<sup>2</sup>T21-CA
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2565]
[space_group] => P3221
[pearson] => hP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T21-CA
[sp_atoms] =>
[caid] => 531
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.560
[e_gap] =>
[energy] => 1.518
[bulk_mod] => 388.6
[shear_mod] => 374.1
[vicker_hard] => 65.6
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1686
[topology] => 4<sup>2</sup>T21-CA
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2565]
[space_group] => P3221
[pearson] => hP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T21-CA
[sp_atoms] =>
[caid] => 531
[nn] => 1
[name] => 4<sup>2</sup>T21-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: 531 Topology: 42T21-CA # of independent nodes (IN): 2 Transitivity: [2565] Space Group: P3221 Pearson: hP12 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 |
|---|---|---|---|---|---|---|---|---|
| 42T21-CA (SACADA #531) | 3.560 | 1.518 | 388.6 | 374.1 | 65.6 | SACADA¹ | ||
| 42T21-CA | doi: 10.1038/s41524-021-00491-y |
| 8270.3401 | 2185.9692 | 856.3912 | -0.3648 | -6.9006 | 230.8435 |
| 2185.9692 | 8297.4780 | 832.9271 | -1.2135 | 0.8625 | -243.7191 |
| 856.3912 | 832.9271 | 10702.2780 | 14.2999 | 11.4775 | 9.0209 |
| -0.3648 | -1.2135 | 14.2999 | 3055.8922 | -239.6187 | -2.1013 |
| -6.9006 | 0.8625 | 11.4775 | -239.6187 | 4080.0097 | -2.4270 |
| 230.8435 | -243.7191 | 9.0209 | -2.1013 | -2.4270 | 4062.9921 |