B3C10N3

Axis x y z Periodic
1 0.016 3.619 3.618 True
2 3.634 0.001 3.633 True
3 3.635 3.635 0.000 True
Lengths: 5.117 5.139 5.140
Angles: 59.988 59.852 59.860
band structure
dos
Key Value
Uniqe row ID 43
Total energy -133.286 eV
Maximum force 0.009 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 0.691
mean_energy 0.625
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID 1805adc981c37fac13a325c0bd25ef71
Username mse-gucc
Volume of unit cell 95.360 Ang3