VHO

VHO is a semiconducting vanadium-based compound that exists in a metastable state.

HOV
Overview

About VHO

VHO is a semiconducting compound composed of vanadium, hydrogen, and oxygen. As a material that sits above the thermodynamic hull, it is characterized by its inherent instability under standard conditions, representing a metastable phase of interest for fundamental research into vanadium-oxygen-hydrogen systems. Its existence is documented across multiple structural databases, highlighting its role as a subject of computational investigation. While it lacks the stability of more common binary oxides, its unique electronic nature makes it a notable entry for those studying complex phase spaces in transition metal chemistry.

At a glance

Key Properties

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

Band Gap

1.40 eV
Range across DFT structures

Energy Above Hull

0.125 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 3 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnnm (No. 58)orthorhombic1.400.1251-6.7054.25
C2/m (No. 12)Monoclinic2.82
C2/m (No. 12)Monoclinic3.01
C2/m (No. 12)Monoclinic3.71
P-6m2 (No. 187)
Reference

Frequently Asked Questions

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

What is VHO?

VHO is a semiconducting vanadium-based compound that exists in a metastable state.

More questions
What is the band gap of VHO?
VHO has a DFT-computed band gap of 1.40 eV across 5 reported structures.
Is VHO a metal, semiconductor, or insulator?
With a band gap up to 1.40 eV it is a semiconductor.
Is VHO thermodynamically stable?
VHO has a lowest energy above hull of 0.125 eV/atom (above hull).
What is the crystal structure of VHO?
The lowest-energy reported polymorph of VHO is orthorhombic symmetry, space group Pnnm (No. 58).
What is the density of VHO?
The computed density of the ground-state structure of VHO is 4.25 g/cm³.
How many polymorphs of VHO are known?
5 structures of VHO are reported across 3 databases, spanning 3 distinct space groups.
What elements does VHO contain?
VHO contains H, O, and V (3 elements).
Where does the data for VHO come from?
VHO data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique phase within the vanadium-hydrogen-oxygen system, VHO serves as a distinct point of study for researchers exploring metastable inorganic compounds. Without established siblings in this specific compositional class, it stands as a singular example of how vanadium can coordinate with hydrogen and oxygen to form semiconducting structures that challenge conventional thermodynamic stability expectations.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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