B3C10N3

Axis x y z Periodic
1 -0.006 3.628 3.628 True
2 3.618 0.000 3.622 True
3 3.618 3.622 0.000 True
Lengths: 5.130 5.119 5.119
Angles: 60.028 60.038 60.038
band structure
dos
Key Value
Uniqe row ID 28
Total energy -134.492 eV
Maximum force 0.006 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 1.335
mean_energy 0.550
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID fb187885823ae68868d1e3ae903a43cf
Username mse-gucc
Volume of unit cell 95.145 Ang3