Au14Si8

Axis x y z Periodic
1 9.031 -0.000 0.000 True
2 -0.000 14.917 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.031 14.917 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1953
Total energy -81.897 eV
Maximum force 0.032 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 2982.212 au
Age 43.882 months
Items
Au_rate 0.636
E 0.285
Si_rate 0.364
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au14Si8
Number of atoms 22
Periodic boundary conditions [ True True True]
Random (unique) ID a1258fe0bdee115a2ed143f03eee0e56
Username yangxb
Volume of unit cell 2694.093 Ang3