Au8Si4

Axis x y z Periodic
1 8.089 0.000 0.000 True
2 0.000 8.887 0.000 True
3 0.000 0.000 20.000 True
Lengths: 8.089 8.887 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 171
Total energy -43.760 eV
Maximum force 0.009 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 0.293
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 45a33e25795b5208717ee93d3275b87a
Username yangxb
Volume of unit cell 1437.877 Ang3