Au10Si6

Axis x y z Periodic
1 10.466 -0.000 0.000 True
2 -5.233 9.064 0.000 True
3 0.000 0.000 20.000 True
Lengths: 10.466 10.466 20.000
Angles: 90.000 90.000 120.000
band structure
dos
Key Value
Uniqe row ID 92
Total energy -59.681 eV
Maximum force 0.009 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 2138.176 au
Age 43.862 months
Items
Au_rate 0.625
E 0.303
Si_rate 0.375
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au10Si6
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID 3eaffa25fdc04484c340eb369021389e
Username yangxb
Volume of unit cell 1897.221 Ang3