Collection: 2dmaterials, Doc: 2dm-3704

Formula: Hg2P2S7

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27171

Exfoliation energy: 84.2 meV/atom
Decomposition energy: 6.2 meV/atom

a: 6.03 Å
b: 6.22 Å

(c: 25.18 Å)

Spacegroup: C2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 2168.9 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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