Axis | x | y | z | Periodic |
---|---|---|---|---|
1 | 10.661 | -0.000 | 0.000 | True |
2 | -0.000 | 13.513 | 0.000 | True |
3 | 0.000 | 0.000 | 20.000 | True |
Lengths: | 10.661 | 13.513 | 20.000 |
Angles: | 90.000 | 90.000 | 90.000 |
band structure | |||
dos |
Key | Value |
---|---|
Uniqe row ID | 2079 |
Total energy | -87.944 eV |
Maximum force | 0.010 eV/Ang |
Maximum stress on unit cell | 0.001 eV/Ang3 |
Sum of atomic masses in unit cell | 3376.145 au |
Age | 43.862 months |
Items | |
---|---|
Au_rate | 0.667 |
E | 0.276 |
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 | 4664349a8fb99add3f9747b6c14b0615 |
Username | yangxb |
Volume of unit cell | 2881.416 Ang3 |