Array
(
[0] => Array
(
[id] => 1793
[topology] => 4<sup>3</sup>T161-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [39(10)5]
[space_group] => C2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T161-CA
[sp_atoms] =>
[caid] => 585
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.175
[e_gap] =>
[energy] => 0.377
[bulk_mod] => 371.9
[shear_mod] => 339.5
[vicker_hard] => 56.9
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1794
[topology] => 4<sup>3</sup>T161-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [39(10)5]
[space_group] => C2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T161-CA
[sp_atoms] =>
[caid] => 585
[nn] => 1
[name] => 4<sup>3</sup>T161-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: 585 Topology: 43T161-CA # of independent nodes (IN): 3 Transitivity: [39(10)5] Space Group: C2/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 |
|---|---|---|---|---|---|---|---|---|
| 43T161-CA (SACADA #585) | 3.175 | 0.377 | 371.9 | 339.5 | 56.9 | SACADA¹ | ||
| 43T161-CA | doi: 10.1038/s41524-021-00491-y |
| 8978.1003 | 2125.4520 | 1051.3065 | -0.0000 | 0.0000 | 203.4727 |
| 2125.4520 | 5912.1801 | 1550.4261 | 0.0000 | 0.0000 | 210.7755 |
| 1051.3065 | 1550.4261 | 9577.8024 | -0.0000 | -0.0000 | 219.8328 |
| -0.0000 | 0.0000 | -0.0000 | 3301.2084 | 505.9718 | 0.0000 |
| 0.0000 | 0.0000 | -0.0000 | 505.9718 | 3152.7693 | -0.0000 |
| 203.4727 | 210.7755 | 219.8328 | 0.0000 | -0.0000 | 4381.5872 |