Collection: 2dmaterials, Doc: 2dm-4053

Formula: Nb2TlPS10

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-560847

Exfoliation energy: 91.3 meV/atom
Decomposition energy: 9.9 meV/atom

a: 6.99 Å
b: 12.90 Å

(c: 28.93 Å)

Spacegroup: Pc

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1349.9 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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