Au8Si4

Axis x y z Periodic
1 5.378 0.000 0.000 True
2 0.000 13.420 0.000 True
3 0.000 0.000 20.000 True
Lengths: 5.378 13.420 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 225
Total energy -43.784 eV
Maximum force 0.041 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 1688.073 au
Age 43.862 months
Items
Au_rate 0.667
E 0.291
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 dc6b9223583e22677c754c3b932f9a71
Username yangxb
Volume of unit cell 1443.553 Ang3