Collection: 2dmaterials, Doc: 2dm-4060
Formula: CaP2H6O7
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-24452
Exfoliation energy: 89.6 meV/atom
Decomposition energy: 62.0 meV/atom
a: 6.75 Å
b: 7.01 Å
(c: 29.51 Å)
Spacegroup: P-1
Magnetic moment: -0.0 μB/unit cell
Bandgap: 4949.9 meV (indirect) (PBE)
Bandstructure and Density of States
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