Collection: 2dmaterials, Doc: 2dm-3378

Formula: TiAgF6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-10810

Exfoliation energy: 119.4 meV/atom
Decomposition energy: 54.9 meV/atom

a: 5.21 Å
b: 5.55 Å

(c: 23.42 Å)

Spacegroup: P-1

Magnetic moment: 0.9992957 μB/unit cell

Bandgap: 208.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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