VCl2O

VCl2O is a metastable, semiconducting inorganic compound consisting of vanadium, chlorine, and oxygen.

ClOV
Crystal structure of VCl2O
Ground-state structure · Materials Project
Overview

About VCl2O

VCl2O is a complex inorganic compound composed of vanadium, chlorine, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental research into transition metal oxyhalides.

Due to its metastable nature, this compound represents a unique synthetic challenge. It has been documented across multiple structural databases, reflecting its role as a specialized material in the broader landscape of vanadium-based chemistry.

At a glance

Key Properties

Cross-validated computational properties for VCl2O, aggregated across 3 databases.

Band Gap

1.05–1.80 eV
Range across DFT structures

Energy Above Hull

0.098 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

18
3 databases, 4 space groups
Uses

Applications

Where VCl2O is used.

Fundamental materials researchTransition metal oxyhalide studies
Reference

Frequently Asked Questions

Common questions about VCl2O, answered from cross-validated data.

What is VCl2O?

VCl2O is a metastable, semiconducting inorganic compound consisting of vanadium, chlorine, and oxygen.

More questions
What is VCl2O used for?
VCl2O is used in fundamental materials research and transition metal oxyhalide studies.
What is the band gap of VCl2O?
VCl2O has a DFT-computed band gap of 1.05–1.80 eV across 18 reported structures.
Is VCl2O a metal, semiconductor, or insulator?
With a band gap up to 1.80 eV it is a semiconductor.
Is VCl2O thermodynamically stable?
VCl2O has a lowest energy above hull of 0.098 eV/atom (metastable).
How many polymorphs of VCl2O are known?
18 structures of VCl2O are reported across 3 databases, spanning 4 distinct space groups.
What elements does VCl2O contain?
VCl2O contains Cl, O, and V (3 elements).
Where does the data for VCl2O come from?
VCl2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the vanadium oxyhalide family, VCl2O occupies a distinct niche where structural stability is finely balanced. While it does not share its class with other commonly categorized siblings in this context, it serves as a critical data point for understanding how halogen and oxygen coordination influences the electronic behavior of vanadium centers.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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