Array
(
[0] => Array
(
[id] => 1735
[topology] => 4<sup>3</sup>T52-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [39(10)6]
[space_group] => I2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T52-CA
[sp_atoms] =>
[caid] => 556
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.446
[e_gap] =>
[energy] => 0.451
[bulk_mod] => 410.5
[shear_mod] => 446.8
[vicker_hard] => 83.1
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1736
[topology] => 4<sup>3</sup>T52-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [39(10)6]
[space_group] => I2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T52-CA
[sp_atoms] =>
[caid] => 556
[nn] => 1
[name] => 4<sup>3</sup>T52-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: 556 Topology: 43T52-CA # of independent nodes (IN): 3 Transitivity: [39(10)6] Space Group: I2/m Pearson: mS24 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 |
|---|---|---|---|---|---|---|---|---|
| 43T52-CA (SACADA #556) | 3.446 | 0.451 | 410.5 | 446.8 | 83.1 | SACADA¹ | ||
| 43T52-CA | doi: 10.1038/s41524-021-00491-y |
| 12046.4845 | 460.8522 | 298.0470 | 0.0000 | -0.0000 | -278.3689 |
| 460.8522 | 10109.2477 | 991.9658 | -0.0000 | -0.0000 | -121.4820 |
| 298.0470 | 991.9658 | 11329.2832 | 0.0000 | 0.0000 | 225.0532 |
| 0.0000 | -0.0000 | 0.0000 | 3955.0806 | -152.7923 | 0.0000 |
| -0.0000 | -0.0000 | 0.0000 | -152.7923 | 3599.3440 | -0.0000 |
| -278.3689 | -121.4820 | 225.0532 | -0.0000 | -0.0000 | 4506.1121 |