Collection: 2dmaterials, Doc: 2dm-3746

Formula: Mg(AlH4)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23709

Exfoliation energy: 55.1 meV/atom
Decomposition energy: 53.9 meV/atom

a: 5.22 Å
b: 5.22 Å

(c: 26.76 Å)

Spacegroup: P-3m1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 4644.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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