Collection: 2dmaterials, Doc: 2dm-3747
Formula: ZrSe3
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1683
Exfoliation energy: 54.4 meV/atom
Decomposition energy: 0.0 meV/atom
a: 3.78 Å
b: 5.48 Å
(c: 26.26 Å)
Spacegroup: Pmmn
Magnetic moment: -0.0 μB/unit cell
Bandgap: 448.2 meV (indirect) (PBE)
Bandstructure and Density of States
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