Array
(
[0] => Array
(
[id] => 397
[topology] => 4/5/t1
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1322]
[space_group] => I41/a
[pearson] => tI16
[cn] => 4
[Year] => 2015
[cn_sort] => 004-
[topology_str] => 4/5/t1
[sp_atoms] =>
[caid] => 66
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.575
[e_gap] =>
[energy] => 0.837
[bulk_mod] => 375.8
[shear_mod] => 486.1
[vicker_hard] => 93.0
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 398
[topology] => 4/5/t1
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1322]
[space_group] => I41/a
[pearson] => tI16
[cn] => 4
[Year] => 2015
[cn_sort] => 004-
[topology_str] => 4/5/t1
[sp_atoms] =>
[caid] => 66
[nn] => 1
[name] => I41/a
[pressure] =>
[density] =>
[e_gap] =>
[energy] =>
[bulk_mod] => 346
[shear_mod] =>
[vicker_hard] =>
[ref_file] => /References/2015PhysRevB91_214104
[publ_year] => 2015
[ref] =>
)
[2] => Array
(
[id] => 399
[topology] => 4/5/t1
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1322]
[space_group] => I41/a
[pearson] => tI16
[cn] => 4
[Year] => 2015
[cn_sort] => 004-
[topology_str] => 4/5/t1
[sp_atoms] =>
[caid] => 66
[nn] => 2
[name] => BT8
[pressure] =>
[density] => 3.508
[e_gap] =>
[energy] =>
[bulk_mod] => 333
[shear_mod] =>
[vicker_hard] =>
[ref_file] => /References/2016_PhysRevB_94_174102
[publ_year] => 2016
[ref] =>
)
)
|
SACADA Database Code: 66 Topology: 4/5/t1 # of independent nodes (IN): 1 Transitivity: [1322] Space Group: I41/a Pearson: tI16 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 |
|---|---|---|---|---|---|---|---|---|
| 4/5/t1 (SACADA #66) | 3.575 | 0.837 | 375.8 | 486.1 | 93.0 | SACADA¹ | ||
| I41/a | 346 | doi: 10.1103/PhysRevB.91.214104 |
||||||
| BT8 | 3.508 | 333 | doi: 10.1103/PhysRevB.94.174102 |
| 10663.2199 | 420.1187 | 886.8770 | 23.5912 | 0.0000 | 0.0000 |
| 420.1187 | 10663.2199 | 886.8770 | -23.5912 | 0.0000 | 0.0000 |
| 886.8770 | 886.8770 | 8257.6695 | -0.0000 | 0.0000 | -0.0000 |
| 23.5912 | -23.5912 | -0.0000 | 5178.4688 | 0.0000 | 0.0000 |
| 0.0000 | 0.0000 | 0.0000 | 0.0000 | 5070.2921 | -0.0000 |
| -0.0000 | -0.0000 | 0.0000 | 0.0000 | -0.0000 | 5070.2921 |