Collection: 2dmaterials, Doc: 2dm-3882

Formula: NiC2(SN)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-8129

Exfoliation energy: 50.6 meV/atom
Decomposition energy: 240.5 meV/atom

a: 3.69 Å
b: 5.52 Å

(c: 23.09 Å)

Spacegroup: C2/m

Magnetic moment: 2.0050459 μB/unit cell

Bandgap: 285.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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