Au16Si8

Axis x y z Periodic
1 10.695 -0.000 0.000 True
2 -0.000 13.462 0.000 True
3 0.000 0.000 20.000 True
Lengths: 10.695 13.462 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1974
Total energy -88.613 eV
Maximum force 0.025 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 3376.145 au
Age 43.882 months
Items
Au_rate 0.667
E 0.248
Si_rate 0.333
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au16Si8
Number of atoms 24
Periodic boundary conditions [ True True True]
Random (unique) ID 37635875cf9207ce96620531156eefb6
Username yangxb
Volume of unit cell 2879.623 Ang3