B5C6N5

Axis x y z Periodic
1 -0.023 3.626 3.626 True
2 3.609 -0.007 3.610 True
3 3.609 3.610 -0.007 True
Lengths: 5.128 5.105 5.105
Angles: 60.133 60.265 60.265
band structure
dos
Key Value
Uniqe row ID 113
Total energy -137.631 eV
Maximum force 0.009 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 196.151 au
Age 5.134 years
Items
C_rate 0.375
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula B5C6N5
gap 2.674
mean_energy 0.262
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID db5f1f7fe16d7f44151f7e92b9a22d7a
Username mse-gucc
Volume of unit cell 94.973 Ang3