Array
(
[0] => Array
(
[id] => 1178
[topology] => 4<sup>8</sup>T16
[link_rcsr] =>
[in_col] => 8
[transitivity] => [8(14)(12)7]
[space_group] => C2/m
[pearson] => mS32
[cn] => 4
[Year] => 2015
[cn_sort] => 004-
[topology_str] => 4<sup>8</sup>T16
[sp_atoms] =>
[caid] => 291
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.456
[e_gap] =>
[energy] => 0.675
[bulk_mod] => 429.1
[shear_mod] => 490.0
[vicker_hard] => 92.2
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1179
[topology] => 4<sup>8</sup>T16
[link_rcsr] =>
[in_col] => 8
[transitivity] => [8(14)(12)7]
[space_group] => C2/m
[pearson] => mS32
[cn] => 4
[Year] => 2015
[cn_sort] => 004-
[topology_str] => 4<sup>8</sup>T16
[sp_atoms] =>
[caid] => 291
[nn] => 1
[name] => mS32
[pressure] => 0-20
[density] => 3.418
[e_gap] => 4.5
[energy] =>
[bulk_mod] => 415
[shear_mod] =>
[vicker_hard] => 90.8
[ref_file] => /References/2015_PhysChemChemPhys_17_1332
[publ_year] => 2015
[ref] =>
)
)
|
SACADA Database Code: 291 Topology: 48T16 # of independent nodes (IN): 8 Transitivity: [8(14)(12)7] Space Group: C2/m Pearson: mS32 Coordination Number (CN): 4 Year: 2015 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 |
|---|---|---|---|---|---|---|---|---|
| 48T16 (SACADA #291) | 3.456 | 0.675 | 429.1 | 490.0 | 92.2 | SACADA¹ | ||
| mS32 | 0-20 | 3.418 | 4.5 | 415 | 90.8 | doi: 10.1039/c4cp04569f |
| 10985.9067 | 383.6956 | 889.7178 | -0.0000 | 0.0000 | 313.2885 |
| 383.6956 | 11582.6240 | 1002.7427 | 0.0000 | -0.0000 | -202.0731 |
| 889.7178 | 1002.7427 | 11527.7848 | 0.0000 | -0.0000 | -140.5836 |
| -0.0000 | 0.0000 | 0.0000 | 4148.5658 | -245.8980 | 0.0000 |
| 0.0000 | -0.0000 | -0.0000 | -245.8980 | 5335.7938 | -0.0000 |
| 313.2885 | -202.0731 | -140.5836 | 0.0000 | -0.0000 | 4542.7086 |