B8N8

Axis x y z Periodic
1 0.000 3.625 3.625 True
2 3.625 -0.000 3.625 True
3 3.625 3.625 0.000 True
Lengths: 5.127 5.127 5.127
Angles: 60.000 60.000 60.000
band structure
dos
Key Value
Uniqe row ID 126
Total energy -139.612 eV
Maximum force 0.000 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 198.536 au
Age 5.134 years
Items
C_rate 0.000
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula B8N8
gap 4.450
mean_energy -0.000
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID 85d805b7ebb2401214743bb98a07b684
Username mse-gucc
Volume of unit cell 95.304 Ang3