Collection: 2dmaterials, Doc: 2dm-3824

Formula: Ta2NiS5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-28308

Exfoliation energy: 72.1 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.43 Å
b: 15.21 Å

(c: 24.14 Å)

Spacegroup: Pmmn

Magnetic moment: 0.0 μB/unit cell

Bandgap: 0.0 meV (PBE)

VASP inputs

Bandstructure and Density of States

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