Array
(
[0] => Array
(
[id] => 1747
[topology] => 4<sup>3</sup>T59-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3741]
[space_group] => P21/c
[pearson] => mP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T59-CA
[sp_atoms] =>
[caid] => 562
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.418
[e_gap] =>
[energy] => 0.451
[bulk_mod] => 391.7
[shear_mod] => 439.4
[vicker_hard] => 82.4
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1748
[topology] => 4<sup>3</sup>T59-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3741]
[space_group] => P21/c
[pearson] => mP12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T59-CA
[sp_atoms] =>
[caid] => 562
[nn] => 1
[name] => 4<sup>3</sup>T59-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: 562 Topology: 43T59-CA # of independent nodes (IN): 3 Transitivity: [3741] 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 |
|---|---|---|---|---|---|---|---|---|
| 43T59-CA (SACADA #562) | 3.418 | 0.451 | 391.7 | 439.4 | 82.4 | SACADA¹ | ||
| 43T59-CA | doi: 10.1038/s41524-021-00491-y |
| 8347.1825 | 955.7229 | 1576.9748 | -0.0000 | -0.0000 | 443.9638 |
| 955.7229 | 10405.4473 | 737.0603 | -0.0000 | -0.0000 | 46.2798 |
| 1576.9748 | 737.0603 | 10045.4559 | 0.0000 | -0.0000 | -872.3914 |
| -0.0000 | -0.0000 | 0.0000 | 4738.8088 | -24.3839 | 0.0000 |
| -0.0000 | -0.0000 | -0.0000 | -24.3839 | 4281.7641 | 0.0000 |
| 443.9638 | 46.2798 | -872.3914 | 0.0000 | 0.0000 | 4542.7464 |