Au16Si8

Axis x y z Periodic
1 10.667 -0.000 0.000 True
2 -0.000 13.505 0.000 True
3 0.000 0.000 20.000 True
Lengths: 10.667 13.505 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 2074
Total energy -87.953 eV
Maximum force 0.020 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 0.275
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 b58bcae85bdf0c3ad385efd14e7e2275
Username yangxb
Volume of unit cell 2881.104 Ang3