Collection: 2dmaterials, Doc: 2dm-3972

Formula: NbTlBr4O

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-551826

Exfoliation energy: 83.4 meV/atom
Decomposition energy: 0.0 meV/atom

a: 4.01 Å
b: 7.70 Å

(c: 23.69 Å)

Spacegroup: Pmm2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1207.4 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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