Collection: 2dmaterials, Doc: 2dm-3982

Formula: Ba2Ti3O7

Discovery Process: Exfoliation from layered material
Obtained from 3D: mvc-1214

Exfoliation energy: 11.4 meV/atom
Decomposition energy: 279.2 meV/atom

a: 3.93 Å
b: 4.00 Å

(c: 28.15 Å)

Spacegroup: Pmm2

Magnetic moment: 0.5963164 μB/unit cell

Bandgap: 0.0 meV (PBE)

VASP inputs

Bandstructure and Density of States

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