P (Puckered) – Phosphorus – Group V

Crystal Structure

a1	4.55 Å
a2	3.31 Å
Buckling Δ	2.11 Å
d1	2.22 Å
d2	3.52 Å

Bandstructure

	PBE	HSE
Valence Band Maximum	-4.87 eV	-5.51 eV
Conduction Band Minimum	-4.01 eV	-3.98 eV
Band Gap	0.86 eV	1.53 eV