B3C10N3

Axis x y z Periodic
1 -0.023 3.623 3.623 True
2 3.600 -0.000 3.600 True
3 3.600 3.600 0.000 True
Lengths: 5.124 5.092 5.092
Angles: 60.000 60.209 60.209
band structure
dos
Key Value
Uniqe row ID 27
Total energy -137.538 eV
Maximum force 0.007 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 2.561
mean_energy 0.359
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID bc1e449f6beaae9f2020809d8653b3b6
Username mse-gucc
Volume of unit cell 94.231 Ang3