Array
(
[0] => Array
(
[id] => 2990
[topology] => cha
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1442]
[space_group] => R-3m
[pearson] => hR36
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => cha
[sp_atoms] =>
[caid] => 1176
[nn] => 0
[name] =>
[pressure] =>
[density] => 2.477
[e_gap] =>
[energy] => 0.787
[bulk_mod] => 265.2
[shear_mod] => 184.1
[vicker_hard] => 21.4
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 2991
[topology] => cha
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1442]
[space_group] => R-3m
[pearson] => hR36
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => cha
[sp_atoms] =>
[caid] => 1176
[nn] => 1
[name] => cha
[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: 1176 Topology: cha # of independent nodes (IN): 1 Transitivity: [1442] Space Group: R-3m Pearson: hR36 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 |
|---|---|---|---|---|---|---|---|---|
| cha (SACADA #1176) | 2.477 | 0.787 | 265.2 | 184.1 | 21.4 | SACADA¹ | ||
| cha | doi: 10.1038/s41524-021-00491-y |
| 5157.3636 | 1316.1696 | 1808.6823 | 5.1441 | 4.3029 | 397.4258 |
| 1316.1696 | 5154.6493 | 1798.1929 | 4.5693 | -8.7887 | -393.7431 |
| 1808.6823 | 1798.1929 | 3822.2584 | 2.3356 | 3.4168 | -0.4978 |
| 5.1441 | 4.5693 | 2.3356 | 1928.9347 | -385.7949 | 1.6477 |
| 4.3029 | -8.7887 | 3.4168 | -385.7949 | 2254.8827 | 1.2086 |
| 397.4258 | -393.7431 | -0.4978 | 1.6477 | 1.2086 | 2242.5458 |