Array
(
[0] => Array
(
[id] => 1701
[topology] => 4<sup>2</sup>T39
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2221]
[space_group] => Ccca
[pearson] => oS12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T39
[sp_atoms] =>
[caid] => 539
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.657
[e_gap] =>
[energy] => 1.256
[bulk_mod] => 436.5
[shear_mod] => 510.4
[vicker_hard] => 96.5
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1702
[topology] => 4<sup>2</sup>T39
[link_rcsr] =>
[in_col] => 2
[transitivity] => [2221]
[space_group] => Ccca
[pearson] => oS12
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^2T39
[sp_atoms] =>
[caid] => 539
[nn] => 1
[name] => 4<sup>2</sup>T39
[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: 539 Topology: 42T39 # of independent nodes (IN): 2 Transitivity: [2221] Space Group: Ccca Pearson: oS12 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 |
|---|---|---|---|---|---|---|---|---|
| 42T39 (SACADA #539) | 3.657 | 1.256 | 436.5 | 510.4 | 96.5 | SACADA¹ | ||
| 42T39 | doi: 10.1038/s41524-021-00491-y |
| 12232.2756 | 887.2677 | 378.7116 | -0.0000 | 0.0000 | -0.0000 |
| 887.2677 | 11159.3381 | 1050.5618 | 0.0000 | -0.0000 | 0.0000 |
| 378.7116 | 1050.5618 | 11281.5230 | 0.0000 | -0.0000 | 0.0000 |
| -0.0000 | 0.0000 | 0.0000 | 5049.3976 | 0.0000 | -0.0000 |
| 0.0000 | -0.0000 | -0.0000 | 0.0000 | 5112.2194 | -0.0000 |
| -0.0000 | 0.0000 | 0.0000 | -0.0000 | -0.0000 | 4633.2663 |