Axis | x | y | z | Periodic |
---|---|---|---|---|
1 | 10.465 | -0.000 | 0.000 | True |
2 | -5.233 | 9.063 | 0.000 | True |
3 | 0.000 | 0.000 | 20.000 | True |
Lengths: | 10.465 | 10.465 | 20.000 |
Angles: | 90.000 | 90.000 | 120.000 |
band structure | |||
dos |
Key | Value |
---|---|
Uniqe row ID | 115 |
Total energy | -59.682 eV |
Maximum force | 0.008 eV/Ang |
Maximum stress on unit cell | 0.001 eV/Ang3 |
Sum of atomic masses in unit cell | 2138.176 au |
Age | 43.862 months |
Items | |
---|---|
Au_rate | 0.625 |
E | 0.303 |
Si_rate | 0.375 |
ASE-calculator name | vasp |
Net charge in unit cell | 0.000 |e| |
Chemical formula | Au10Si6 |
Number of atoms | 16 |
Periodic boundary conditions | [ True True True] |
Random (unique) ID | de291654c25f5dfa2bba95f26ad9449a |
Username | yangxb |
Volume of unit cell | 1897.001 Ang3 |