Array
(
[0] => Array
(
[id] => 1567
[topology] => 4<sup>8</sup>T45
[link_rcsr] =>
[in_col] => 8
[transitivity] => [8(20)(13)5]
[space_group] => P-1
[pearson] => aP16
[cn] => 4
[Year] => 2017
[cn_sort] => 004-
[topology_str] => 4<sup>8</sup>T45
[sp_atoms] =>
[caid] => 472
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.340
[e_gap] =>
[energy] => 0.813
[bulk_mod] => 396.5
[shear_mod] => 433.5
[vicker_hard] => 80.7
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1568
[topology] => 4<sup>8</sup>T45
[link_rcsr] =>
[in_col] => 8
[transitivity] => [8(20)(13)5]
[space_group] => P-1
[pearson] => aP16
[cn] => 4
[Year] => 2017
[cn_sort] => 004-
[topology_str] => 4<sup>8</sup>T45
[sp_atoms] =>
[caid] => 472
[nn] => 1
[name] => G180
[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: 472 Topology: 48T45 # of independent nodes (IN): 8 Transitivity: [8(20)(13)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 |
|---|---|---|---|---|---|---|---|---|
| 48T45 (SACADA #472) | 3.340 | 0.813 | 396.5 | 433.5 | 80.7 | SACADA¹ | ||
| G180 | doi: 10.1002/cphc.201700151 |
| 9808.2257 | 1090.6031 | 926.2836 | -147.1945 | 114.2511 | -412.3411 |
| 1090.6031 | 10147.5002 | 839.1115 | -218.9178 | -504.4125 | 44.1509 |
| 926.2836 | 839.1115 | 10032.4066 | 110.6286 | 25.8426 | 22.5937 |
| -147.1945 | -218.9178 | 110.6286 | 4265.0615 | 11.4826 | 62.6778 |
| 114.2511 | -504.4125 | 25.8426 | 11.4826 | 4146.7261 | 330.9215 |
| -412.3411 | 44.1509 | 22.5937 | 62.6778 | 330.9215 | 4264.4368 |