Array
(
[0] => Array
(
[id] => 1737
[topology] => 4<sup>3</sup>T53-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3(10)(10)4]
[space_group] => I2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T53-CA
[sp_atoms] =>
[caid] => 557
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.320
[e_gap] =>
[energy] => 0.538
[bulk_mod] => 386.0
[shear_mod] => 399.1
[vicker_hard] => 72.8
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1738
[topology] => 4<sup>3</sup>T53-CA
[link_rcsr] =>
[in_col] => 3
[transitivity] => [3(10)(10)4]
[space_group] => I2/m
[pearson] => mS24
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => 4^3T53-CA
[sp_atoms] =>
[caid] => 557
[nn] => 1
[name] => 4<sup>3</sup>T53-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: 557 Topology: 43T53-CA # of independent nodes (IN): 3 Transitivity: [3(10)(10)4] 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 |
|---|---|---|---|---|---|---|---|---|
| 43T53-CA (SACADA #557) | 3.320 | 0.538 | 386.0 | 399.1 | 72.8 | SACADA¹ | ||
| 43T53-CA | doi: 10.1038/s41524-021-00491-y |
| 10739.1700 | 267.0593 | 358.1217 | 0.0000 | 0.0000 | -53.9709 |
| 267.0593 | 8549.2533 | 2242.6029 | 0.0000 | 0.0000 | -263.4795 |
| 358.1217 | 2242.6029 | 9776.5518 | 0.0000 | 0.0000 | 55.8780 |
| 0.0000 | 0.0000 | 0.0000 | 3246.5336 | 159.6964 | 0.0000 |
| 0.0000 | -0.0000 | 0.0000 | 159.6964 | 3966.7059 | 0.0000 |
| -53.9709 | -263.4795 | 55.8780 | 0.0000 | 0.0000 | 4313.4824 |