Au8Si4

Axis x y z Periodic
1 5.331 0.000 0.000 True
2 0.000 13.515 0.000 True
3 0.000 0.000 20.000 True
Lengths: 5.331 13.515 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 288
Total energy -43.988 eV
Maximum force 0.011 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 1688.073 au
Age 43.898 months
Items
Au_rate 0.667
E 0.274
Si_rate 0.333
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au8Si4
Number of atoms 12
Periodic boundary conditions [ True True True]
Random (unique) ID f0c76683a1574e569e9e3d432c5d8da9
Username yangxb
Volume of unit cell 1441.103 Ang3