KMoO4

KMoO4 is a semiconducting potassium-molybdenum oxide that exists in a metastable state.

KMoO
Crystal structure of KMoO4
Ground-state structure · Materials Project
Overview

About KMoO4

KMoO4 is a complex inorganic compound composed of potassium, molybdenum, and oxygen. As a semiconducting material, it represents a specific arrangement of these elements that has been documented across multiple structural databases, reflecting its interest in materials science research. The compound is characterized by its position above the thermodynamic stability hull, suggesting it is a metastable phase. This status often makes it a subject of study for researchers investigating synthesis pathways and the structural evolution of molybdates.

At a glance

Key Properties

Cross-validated computational properties for KMoO4, aggregated across 3 databases.

Band Gap

0.67 eV
Range across DFT structures

Energy Above Hull

0.165 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about KMoO4, answered from cross-validated data.

What is KMoO4?

KMoO4 is a semiconducting potassium-molybdenum oxide that exists in a metastable state.

More questions
What is the band gap of KMoO4?
KMoO4 has a DFT-computed band gap of 0.67 eV across 5 reported structures.
Is KMoO4 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is KMoO4 thermodynamically stable?
KMoO4 has a lowest energy above hull of 0.165 eV/atom (above hull).
How many polymorphs of KMoO4 are known?
5 structures of KMoO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does KMoO4 contain?
KMoO4 contains K, Mo, and O (3 elements).
Where does the data for KMoO4 come from?
KMoO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified compound, KMoO4 occupies a unique position in the landscape of ternary oxides. Without direct structural siblings in its immediate class, it serves as a distinct example of how molybdenum and potassium can coordinate with oxygen to form semiconducting frameworks that deviate from standard ground-state configurations.

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

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