Array
(
[0] => Array
(
[id] => 1368
[topology] => 4<sup>6</sup>T30
[link_rcsr] =>
[in_col] => 6
[transitivity] => [6(14)(10)3]
[space_group] => P-1
[pearson] => aP12
[cn] => 4
[Year] => 2017
[cn_sort] => 004-
[topology_str] => 4<sup>6</sup>T30
[sp_atoms] =>
[caid] => 373
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.474
[e_gap] =>
[energy] => 0.775
[bulk_mod] => 413.9
[shear_mod] => 473.0
[vicker_hard] => 89.0
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1369
[topology] => 4<sup>6</sup>T30
[link_rcsr] =>
[in_col] => 6
[transitivity] => [6(14)(10)3]
[space_group] => P-1
[pearson] => aP12
[cn] => 4
[Year] => 2017
[cn_sort] => 004-
[topology_str] => 4<sup>6</sup>T30
[sp_atoms] =>
[caid] => 373
[nn] => 1
[name] => G40
[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: 373 Topology: 46T30 # of independent nodes (IN): 6 Transitivity: [6(14)(10)3] Space Group: P-1 Pearson: aP12 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 |
|---|---|---|---|---|---|---|---|---|
| 46T30 (SACADA #373) | 3.474 | 0.775 | 413.9 | 473.0 | 89.0 | SACADA¹ | ||
| G40 | doi: 10.1002/cphc.201700151 |
| 9504.0832 | 1494.9108 | 1247.7516 | -3.3730 | -6.7336 | 260.3509 |
| 1494.9108 | 9279.1997 | 902.7849 | 148.7196 | 129.8931 | 47.8352 |
| 1247.7516 | 902.7849 | 11257.0049 | -147.9026 | -203.3200 | 1.3424 |
| -3.3730 | 148.7196 | -147.9026 | 4874.2863 | 228.1023 | -98.0809 |
| -6.7336 | 129.8931 | -203.3200 | 228.1023 | 4759.6094 | 74.2978 |
| 260.3509 | 47.8352 | 1.3424 | -98.0809 | 74.2978 | 5354.9629 |