Array
(
[0] => Array
(
[id] => 1711
[topology] => 4<sup>2</sup>T45-CA
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2774]
[space_group] => P-4m2
[pearson] => tP16
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T45-CA
[sp_atoms] =>
[caid] => 544
[nn] => 0
[name] =>
[pressure] =>
[density] => 2.760
[e_gap] =>
[energy] => 0.984
[bulk_mod] => 251.6
[shear_mod] => 148.8
[vicker_hard] => 17.4
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1712
[topology] => 4<sup>2</sup>T45-CA
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2774]
[space_group] => P-4m2
[pearson] => tP16
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T45-CA
[sp_atoms] =>
[caid] => 544
[nn] => 1
[name] => 4<sup>2</sup>T45-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: 544 Topology: 42T45-CA # of independent nodes (IN): 2 Transitivity: [2774] Space Group: P-4m2 Pearson: tP16 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 |
|---|---|---|---|---|---|---|---|---|
| 42T45-CA (SACADA #544) | 2.760 | 0.984 | 251.6 | 148.8 | 17.4 | SACADA¹ | ||
| 42T45-CA | doi: 10.1038/s41524-021-00491-y |
| 4079.2634 | 977.6508 | 1452.2447 | -0.0000 | -0.0000 | -0.0000 |
| 977.6508 | 4079.2634 | 1452.2447 | -0.0000 | 0.0000 | -0.0000 |
| 1452.2447 | 1452.2447 | 7990.5123 | 0.0000 | 0.0000 | -0.0000 |
| -0.0000 | -0.0000 | 0.0000 | 1254.0642 | 0.0000 | 0.0000 |
| -0.0000 | 0.0000 | 0.0000 | 0.0000 | 1219.4719 | -0.0000 |
| 0.0000 | -0.0000 | 0.0000 | 0.0000 | -0.0000 | 1219.4718 |