Collection: 2dmaterials, Doc: 2dm-3691
Formula: NaTaCl6
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-28179
Exfoliation energy: 49.6 meV/atom
Decomposition energy: 0.0 meV/atom
a: 6.36 Å
b: 6.77 Å
(c: 29.42 Å)
Spacegroup: P2_1
Magnetic moment: 0.0 μB/unit cell
Bandgap: 2891.0 meV (direct) (PBE)
Bandstructure and Density of States
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