Array
(
[0] => Array
(
[id] => 1553
[topology] => 4<sup>8</sup>T41
[link_rcsr] =>
[in_col] => 8
[transitivity] => [8(18)(14)5]
[space_group] => P-1
[pearson] => aP16
[cn] => 4
[Year] => 2017
[cn_sort] => 004-
[topology_str] => 4<sup>8</sup>T41
[sp_atoms] =>
[caid] => 465
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.492
[e_gap] =>
[energy] => 0.732
[bulk_mod] => 418.1
[shear_mod] => 480.0
[vicker_hard] => 90.4
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1554
[topology] => 4<sup>8</sup>T41
[link_rcsr] =>
[in_col] => 8
[transitivity] => [8(18)(14)5]
[space_group] => P-1
[pearson] => aP16
[cn] => 4
[Year] => 2017
[cn_sort] => 004-
[topology_str] => 4<sup>8</sup>T41
[sp_atoms] =>
[caid] => 465
[nn] => 1
[name] => G173
[pressure] =>
[density] =>
[e_gap] =>
[energy] =>
[bulk_mod] =>
[shear_mod] =>
[vicker_hard] =>
[ref_file] => /References/2017_ChemPhysChem_18_873
[publ_year] => 2017
[ref] =>
)
)
|
SACADA Database Code: 465 Topology: 48T41 # of independent nodes (IN): 8 Transitivity: [8(18)(14)5] Space Group: P-1 Pearson: aP16 Coordination Number (CN): 4 Year: 2017 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 |
|---|---|---|---|---|---|---|---|---|
| 48T41 (SACADA #465) | 3.492 | 0.732 | 418.1 | 480.0 | 90.4 | SACADA¹ | ||
| G173 | doi: 10.1002/cphc.201700151 |
| 9640.1770 | 1471.6187 | 1265.2728 | -11.6143 | -18.4867 | 219.3105 |
| 1471.6187 | 9673.5604 | 935.3554 | -136.0511 | -129.8058 | 23.4817 |
| 1265.2728 | 935.3554 | 11006.2202 | 176.0022 | 291.8719 | 98.5482 |
| -11.6143 | -136.0511 | 176.0022 | 5004.7136 | 187.5668 | 58.7194 |
| -18.4867 | -129.8058 | 291.8719 | 187.5668 | 4847.0975 | -38.7851 |
| 219.3105 | 23.4817 | 98.5482 | 58.7194 | -38.7851 | 5378.1116 |