Collection: 2dmaterials, Doc: 2dm-3324

Formula: CaC2(SN)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-11009

Exfoliation energy: 75.6 meV/atom
Decomposition energy: 78.7 meV/atom

a: 5.57 Å
b: 7.24 Å

(c: 24.04 Å)

Spacegroup: P2/c

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3882.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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