KVO3

potassium metavanadate · potassium vanadium trioxide

Potassium metavanadate is a stable, insulating inorganic compound characterized by its structural diversity and importance in vanadium oxide research.

KOV
Crystal structure of KVO3 (orthorhombic, Pbcm (No. 57))
Ground-state structure · Materials Project
Overview

About potassium metavanadate

Potassium metavanadate is a thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural versatility is evidenced by the multiple distinct crystalline arrangements reported in scientific literature, highlighting its significance in solid-state chemistry.

This material serves as a key subject for researchers investigating the behavior of vanadium-based oxides. Due to its stable nature and insulating electronic character, it provides a foundational model for understanding complex metal-oxygen frameworks in potential electronic and catalytic applications.

At a glance

Key Properties

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

Band Gap

0.22–3.05 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for KVO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pbcm (No. 57)orthorhombic3.050.0000-7.4192.93
Pm-3m (No. 221)cubic0.220.2169-7.2024.01
Pm-3m (No. 221)
Pbcm (No. 57)
Pbcm (No. 57)Orthorhombic2.70
Pbcm (No. 57)Orthorhombic2.93
Pbcm (No. 57)Orthorhombic2.77
Uses

Applications

Where potassium metavanadate is used.

catalysis researchsolid-state chemistry studiesmaterials science characterization
Reference

Frequently Asked Questions

Common questions about potassium metavanadate, answered from cross-validated data.

What is KVO3?

Potassium metavanadate is a stable, insulating inorganic compound characterized by its structural diversity and importance in vanadium oxide research.

More questions
What is KVO3 used for?
potassium metavanadate (KVO3) is used in catalysis research, solid-state chemistry studies, and materials science characterization.
What is the band gap of KVO3?
potassium metavanadate (KVO3) has a DFT-computed band gap of 0.22–3.05 eV across 7 reported structures.
Is KVO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.05 eV it is an insulator / wide-band-gap material.
Is KVO3 thermodynamically stable?
Yes — potassium metavanadate (KVO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KVO3?
The lowest-energy reported polymorph of potassium metavanadate (KVO3) is orthorhombic symmetry, space group Pbcm (No. 57).
What is the density of KVO3?
The computed density of the ground-state structure of potassium metavanadate (KVO3) is 2.93 g/cm³.
How many polymorphs of KVO3 are known?
7 structures of KVO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does KVO3 contain?
potassium metavanadate (KVO3) contains K, O, and V (3 elements).
Where does the data for KVO3 come from?
KVO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a stable member of the vanadate family, this compound represents a well-defined crystalline phase that occupies a favorable position on the thermodynamic convex hull, serving as a reliable benchmark for studying the structural evolution of alkali metal vanadates.

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

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