Array
(
[0] => Array
(
[id] => 273
[topology] => pcb
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1222]
[space_group] => Im-3m
[pearson] => cI32
[cn] => 2, 4 (1:1)
[Year] => 2012
[cn_sort] => 002-004-001-001-
[topology_str] => pcb
[sp_atoms] => +
[caid] => 40
[nn] => 0
[name] =>
[pressure] =>
[density] => 1.327
[e_gap] =>
[energy] => 1.519
[bulk_mod] => 135.7
[shear_mod] => 44.4
[vicker_hard] => 6.7
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 274
[topology] => pcb
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1222]
[space_group] => Im-3m
[pearson] => cI32
[cn] => 2, 4 (1:1)
[Year] => 2012
[cn_sort] => 002-004-001-001-
[topology_str] => pcb
[sp_atoms] => +
[caid] => 40
[nn] => 1
[name] => supercubane C32
[pressure] =>
[density] =>
[e_gap] =>
[energy] =>
[bulk_mod] =>
[shear_mod] =>
[vicker_hard] =>
[ref_file] => /References/2012_JPhysChemC_116_25015_25021
[publ_year] => 2012
[ref] =>
)
)
|
SACADA Database Code: 40 Topology: pcb (Allotrope with "sp" atoms) # of independent nodes (IN): 1 Transitivity: [1222] Space Group: Im-3m Pearson: cI32 Coordination Number (CN): 2, 4 (1:1) Year: 2012 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 |
|---|---|---|---|---|---|---|---|---|
| pcb (SACADA #40) | 1.327 | 1.519 | 135.7 | 44.4 | 6.7 | SACADA¹ | ||
| supercubane C32 | doi: 10.1021/jp3104479 |
| 1471.7069 | 1299.8169 | 1299.8169 | -0.0000 | -0.0000 | -0.0000 |
| 1299.8169 | 1471.7069 | 1299.8169 | -0.0000 | -0.0000 | 0.0000 |
| 1299.8169 | 1299.8169 | 1471.7069 | -0.0000 | -0.0000 | 0.0000 |
| 0.0000 | 0.0000 | -0.0000 | 1103.2350 | 0.0000 | -0.0000 |
| -0.0000 | -0.0000 | -0.0000 | 0.0000 | 1103.2350 | 0.0000 |
| -0.0000 | -0.0000 | 0.0000 | -0.0000 | 0.0000 | 1103.2350 |