Collection: 2dmaterials, Doc: 2dm-3034

Formula: HfTaNO3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1018719

Exfoliation energy: 147.8 meV/atom
Decomposition energy: 207.5 meV/atom

a: 3.23 Å
b: 3.87 Å

(c: 24.57 Å)

Spacegroup: Pmm2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 2116.9 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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