Collection: 2dmaterials, Doc: 2dm-3944
Formula: BaCaI4
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-753575
Exfoliation energy: 84.0 meV/atom
Decomposition energy: 33.5 meV/atom
a: 4.73 Å
b: 8.37 Å
(c: 23.80 Å)
Spacegroup: P2/m
Magnetic moment: 0.0 μB/unit cell
Bandgap: 3733.6 meV (direct) (PBE)
Bandstructure and Density of States
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