Collection: twodmaterials, Doc: 2dm-5210

Formula: Ta2NiSe5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-541070

Exfoliation energy: 73.9 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.51 Å
b: 15.73 Å

(c: 24.43 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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