Au10Si4

Axis x y z Periodic
1 11.498 0.000 0.000 True
2 0.000 7.465 0.000 True
3 0.000 0.000 20.000 True
Lengths: 11.498 7.465 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1988
Total energy -50.033 eV
Maximum force 0.008 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 2082.006 au
Age 43.883 months
Items
Au_rate 0.714
E 0.260
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 b3b295e3a5ad7e36604070b87afe965d
Username yangxb
Volume of unit cell 1716.640 Ang3