Collection: 2dmaterials, Doc: 2dm-4030
Formula: CaP(H2O3)2
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-632758
Exfoliation energy: 60.1 meV/atom
Decomposition energy: 106.0 meV/atom
a: 5.77 Å
b: 6.44 Å
(c: 27.40 Å)
Spacegroup: P-1
Magnetic moment: 2.0170445 μB/unit cell
Bandgap: 138.7 meV (indirect) (PBE)
Bandstructure and Density of States
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