B4C8N4

Axis x y z Periodic
1 -0.032 3.627 3.627 True
2 3.595 -0.000 3.595 True
3 3.595 3.595 0.000 True
Lengths: 5.130 5.084 5.084
Angles: 60.000 60.296 60.296
band structure
dos
Key Value
Uniqe row ID 86
Total energy -139.632 eV
Maximum force 0.007 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 195.356 au
Age 5.134 years
Items
C_rate 0.500
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula B4C8N4
gap 3.824
mean_energy 0.183
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID fe25acee6243b659ff78334a566d32e5
Username mse-gucc
Volume of unit cell 94.162 Ang3