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)
Bandstructure and Density of States
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