Formula Ga4In4N8
Reduced formula GaInN2
Stoichiometry ABC2
Number of species 3
Number of atoms 16
Unique ID 6
Unit cell volume [Å3] 215.885
E-hull [eV] 0.012
Kohn Sham band gap [eV] 0.920
Effective electron mass [me] 0.148
Effective hole mass [me] -2.433
Derivative discontinuity (GLLB-SC) [eV] 0.400
Energy per atom [eV] 0.005
Uncertanty of the convex hull energy [eV] 0.017
Uncertanty of the total energy [eV] 0.007
Direct band gap (GLLB-SC) [eV] 1.320
Indirect band gap (GLLB-SC) [eV] 1.320
Direct band gap (TB09) [eV] 1.700
Indirect band gap (TB09) [eV] 1.700
Crystal system Orthorhombic
Phase ST
Short chemical formula GaInN2
Total energy (mBEEF) [eV] -946.287
Energy [eV] -946.287
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.721 0.000 0.000 Yes
2 0.000 5.866 0.000 Yes
3 0.000 0.000 5.476 Yes
Lengths [Å] 6.721 5.866 5.476
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License