VBr2

Vanadium(II) bromide

Vanadium(II) bromide is an inorganic halide compound featuring vanadium in a low oxidation state. It is primarily utilized as a precursor in chemical synthesis and as a reagent in specialized laboratory research involving organometallic chemistry.

BrV
Crystal structure of VBr2 (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for VBr2, aggregated across 3 databases.

Band Gap

1.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

38
3 databases, 11 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for VBr2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal1.130.0000-5.3284.31
I41/amd (No. 141)Tetragonal7.82
P1 (No. 1)Triclinic6.14
P1 (No. 1)Triclinic4.36
P-1 (No. 2)Triclinic6.26
C2/m (No. 12)Monoclinic4.45
P63/mmc (No. 194)Hexagonal5.34
P1 (No. 1)Triclinic6.63
P-1 (No. 2)Triclinic3.71
P-1 (No. 2)Triclinic4.58
P-1 (No. 2)Triclinic8.75
P-1 (No. 2)Triclinic3.86
Uses

Applications

Where VBr2 is used.

Chemical synthesisCatalyst precursorMaterials science research
Reference

Frequently Asked Questions

Common questions about VBr2, answered from cross-validated data.

What is VBr2?

Vanadium(II) bromide is an inorganic halide compound featuring vanadium in a low oxidation state. It is primarily utilized as a precursor in chemical synthesis and as a reagent in specialized laboratory research involving organometallic chemistry.

More questions
What is VBr2 used for?
VBr2 is used in chemical synthesis, catalyst precursor, and materials science research.
What is the band gap of VBr2?
VBr2 has a DFT-computed band gap of 1.13 eV across 38 reported structures.
Is VBr2 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is VBr2 thermodynamically stable?
Yes — VBr2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of VBr2?
The lowest-energy reported polymorph of VBr2 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of VBr2?
The computed density of the ground-state structure of VBr2 is 4.31 g/cm³.
How many polymorphs of VBr2 are known?
38 structures of VBr2 are reported across 3 databases, spanning 11 distinct space groups.
What elements does VBr2 contain?
VBr2 contains Br and V (2 elements).
Where does the data for VBr2 come from?
VBr2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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