Axis | x | y | z | Periodic |
---|---|---|---|---|
1 | 9.325 | 0.000 | 0.000 | True |
2 | 0.000 | 7.651 | 0.000 | True |
3 | 0.000 | 0.000 | 20.000 | True |
Lengths: | 9.325 | 7.651 | 20.000 |
Angles: | 90.000 | 90.000 | 90.000 |
band structure | |||
dos |
Key | Value |
---|---|
Uniqe row ID | 311 |
Total energy | -44.351 eV |
Maximum force | 0.017 eV/Ang |
Maximum stress on unit cell | 0.001 eV/Ang3 |
Sum of atomic masses in unit cell | 1688.073 au |
Age | 43.881 months |
Items | |
---|---|
Au_rate | 0.667 |
E | 0.244 |
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 | e664311b16545e43a5861d64bd739749 |
Username | yangxb |
Volume of unit cell | 1426.792 Ang3 |