Collection: 2dmaterials, Doc: 2dm-3931

Formula: Ti3H2O7

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-626557

Exfoliation energy: 70.9 meV/atom
Decomposition energy: 87.1 meV/atom

a: 3.76 Å
b: 9.34 Å

(c: 28.63 Å)

Spacegroup: Pm

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2830.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3931/json

Rendered JSON (click +/- to expand/collapse):