Collection: 2dmaterials, Doc: 2dm-3897

Formula: Ba2TiO4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-36194

Exfoliation energy: 10.6 meV/atom
Decomposition energy: 153.4 meV/atom

a: 3.97 Å
b: 3.97 Å

(c: 23.95 Å)

Spacegroup: P4/mmm

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1935.6 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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