Au10Si4

Axis x y z Periodic
1 9.280 0.000 0.000 True
2 0.000 9.281 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.280 9.281 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1920
Total energy -50.371 eV
Maximum force 0.007 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 2082.006 au
Age 43.882 months
Items
Au_rate 0.714
E 0.236
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 8cf254e143d85c49ab9c36c7fe4ba09b
Username yangxb
Volume of unit cell 1722.396 Ang3