Collection: 2dmaterials, Doc: 2dm-3957

Formula: Ti2ZnO5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mvc-8123

Exfoliation energy: 248.9 meV/atom
Decomposition energy: 259.4 meV/atom

a: 3.66 Å
b: 11.98 Å

(c: 26.99 Å)

Spacegroup: Pmmn

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3156.0 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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