Au10Si4

Axis x y z Periodic
1 9.280 0.000 0.000 True
2 0.000 9.280 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.280 9.280 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1908
Total energy -50.359 eV
Maximum force 0.009 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 2082.006 au
Age 43.882 months
Items
Au_rate 0.714
E 0.237
Si_rate 0.286
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au10Si4
Number of atoms 14
Periodic boundary conditions [ True True True]
Random (unique) ID 42751e699f64362ce33e584daee5aba6
Username yangxb
Volume of unit cell 1722.382 Ang3