Au16Si8

Axis x y z Periodic
1 9.555 0.000 0.000 True
2 0.000 15.066 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.555 15.066 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1959
Total energy -88.254 eV
Maximum force 0.058 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 0.263
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 4eb6e8edcc101a3d518a2afd42289613
Username yangxb
Volume of unit cell 2879.084 Ang3