Au16Si8

Axis x y z Periodic
1 10.898 0.000 0.000 True
2 0.000 13.321 0.000 True
3 0.000 0.000 20.000 True
Lengths: 10.898 13.321 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1952
Total energy -87.377 eV
Maximum force 0.245 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 3376.145 au
Age 43.882 months
Items
Au_rate 0.667
E 0.299
Si_rate 0.333
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au16Si8
Number of atoms 24
Periodic boundary conditions [ True True True]
Random (unique) ID bc469b26c6c1e0ae9f8ea6d7a2e537ad
Username yangxb
Volume of unit cell 2903.474 Ang3