Array
(
[0] => Array
(
[id] => 1797
[topology] => 4<sup>3</sup>T163-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3972]
[space_group] => C2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T163-CA
[sp_atoms] =>
[caid] => 587
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.274
[e_gap] =>
[energy] => 0.312
[bulk_mod] => 392.8
[shear_mod] => 381.5
[vicker_hard] => 67.3
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1798
[topology] => 4<sup>3</sup>T163-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3972]
[space_group] => C2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T163-CA
[sp_atoms] =>
[caid] => 587
[nn] => 1
[name] => 4<sup>3</sup>T163-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: 587 Topology: 43T163-CA # of independent nodes (IN): 3 Transitivity: [3972] 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 |
|---|---|---|---|---|---|---|---|---|
| 43T163-CA (SACADA #587) | 3.274 | 0.312 | 392.8 | 381.5 | 67.3 | SACADA¹ | ||
| 43T163-CA | doi: 10.1038/s41524-021-00491-y |
| 9473.8107 | 1733.6058 | 1152.4789 | 0.0000 | 0.0000 | 115.8988 |
| 1733.6058 | 7723.2971 | 1011.8620 | -0.0000 | -0.0000 | 60.7170 |
| 1152.4789 | 1011.8620 | 10554.6517 | 0.0000 | 0.0000 | 94.9685 |
| 0.0000 | -0.0000 | 0.0000 | 3228.1369 | 160.9748 | 0.0000 |
| 0.0000 | -0.0000 | 0.0000 | 160.9748 | 3506.9628 | -0.0000 |
| 115.8988 | 60.7170 | 94.9685 | 0.0000 | -0.0000 | 4634.6938 |