Axis | x | y | z | Periodic |
---|---|---|---|---|
1 | 5.374 | 0.000 | 0.000 | True |
2 | 0.000 | 13.433 | 0.000 | True |
3 | 0.000 | 0.000 | 20.000 | True |
Lengths: | 5.374 | 13.433 | 20.000 |
Angles: | 90.000 | 90.000 | 90.000 |
band structure | |||
dos |
Key | Value |
---|---|
Uniqe row ID | 299 |
Total energy | -43.787 eV |
Maximum force | 0.009 eV/Ang |
Maximum stress on unit cell | 0.001 eV/Ang3 |
Sum of atomic masses in unit cell | 1688.073 au |
Age | 43.897 months |
Items | |
---|---|
Au_rate | 0.667 |
E | 0.291 |
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 | 4d0f33197292890af3718a314a1ccd83 |
Username | yangxb |
Volume of unit cell | 1443.799 Ang3 |