Au8Si4

Axis x y z Periodic
1 9.317 -0.000 0.000 True
2 -0.000 7.660 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.317 7.660 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1110
Total energy -44.341 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 51.108 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 5d43df4c7ceec125744f94362fc9ba1b
Username yangxb
Volume of unit cell 1427.402 Ang3