Au8Si4

Axis x y z Periodic
1 13.442 0.000 0.000 True
2 0.000 5.368 0.000 True
3 0.000 0.000 20.000 True
Lengths: 13.442 5.368 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 201
Total energy -43.782 eV
Maximum force 0.024 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 1688.073 au
Age 43.862 months
Items
Au_rate 0.667
E 0.292
Si_rate 0.333
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au8Si4
Number of atoms 12
Periodic boundary conditions [ True True True]
Random (unique) ID 25068956c3a57e3ee0b68a591dba69ad
Username yangxb
Volume of unit cell 1443.212 Ang3