Au10Si4

Axis x y z Periodic
1 9.277 0.000 0.000 True
2 0.000 9.281 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.277 9.281 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 1939
Total energy -50.363 eV
Maximum force 0.007 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 0.237
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 d003dbf8ec2d4f5d61c87d256c0351fb
Username yangxb
Volume of unit cell 1721.972 Ang3