Au16Si8

Axis x y z Periodic
1 15.284 0.000 0.000 True
2 0.000 9.331 0.000 True
3 0.000 0.000 20.000 True
Lengths: 15.284 9.331 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 404
Total energy -88.722 eV
Maximum force 0.006 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 3376.145 au
Age 51.129 months
Items
Au_rate 0.667
E 0.243
Si_rate 0.333
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au16Si8
Number of atoms 24
Periodic boundary conditions [ True True True]
Random (unique) ID 1e5b83bcce207f81667b4257e48edc27
Username yangxb
Volume of unit cell 2852.325 Ang3