B3C10N3

Axis x y z Periodic
1 -0.005 3.625 3.622 True
2 3.632 -0.013 3.630 True
3 3.619 3.620 -0.000 True
Lengths: 5.124 5.135 5.119
Angles: 60.111 60.032 60.182
band structure
dos
Key Value
Uniqe row ID 41
Total energy -133.536 eV
Maximum force 0.010 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 194.561 au
Age 5.134 years
Items
C_rate 0.625
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula B3C10N3
gap 0.061
mean_energy 0.610
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID 995eeb771e2c2752016406e96b36d838
Username mse-gucc
Volume of unit cell 95.462 Ang3