Au8Si4

Axis x y z Periodic
1 8.089 0.000 0.000 True
2 0.000 8.891 0.000 True
3 0.000 0.000 20.000 True
Lengths: 8.089 8.891 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 253
Total energy -43.747 eV
Maximum force 0.010 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 1688.073 au
Age 43.882 months
Items
Au_rate 0.667
E 0.295
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 2373d424840bf5deb5d306e4d1e8fd85
Username yangxb
Volume of unit cell 1438.370 Ang3