Au20Si8

Axis x y z Periodic
1 13.120 -0.000 0.000 True
2 0.000 13.120 0.000 True
3 0.000 0.000 20.000 True
Lengths: 13.120 13.120 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 2171
Total energy -100.829 eV
Maximum force 0.004 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 4164.011 au
Age 43.862 months
Items
Au_rate 0.714
E 0.233
Si_rate 0.286
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au20Si8
Number of atoms 28
Periodic boundary conditions [ True True True]
Random (unique) ID 3c7731da3c0ee48fb8b543b986e51b97
Username yangxb
Volume of unit cell 3442.681 Ang3