Au8Si4

Axis x y z Periodic
1 7.661 -0.000 0.000 True
2 0.000 9.314 0.000 True
3 0.000 0.000 20.000 True
Lengths: 7.661 9.314 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1117
Total energy -44.344 eV
Maximum force 0.008 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 1688.073 au
Age 51.179 months
Items
Au_rate 0.667
E 0.245
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 203ac7bffc2c33a73b70ef79e6cd7070
Username yangxb
Volume of unit cell 1427.033 Ang3