CaMoO3

CaMoO3 is a thermodynamically stable semiconducting oxide of calcium and molybdenum used in materials science research.

CaMoO
Crystal structure of CaMoO3
Ground-state structure · Materials Project
Overview

About CaMoO3

CaMoO3 is a thermodynamically stable ternary oxide composed of calcium, molybdenum, and oxygen. As a member of the broader class of perovskite-related oxides, it exhibits semiconducting electronic characteristics that make it a subject of interest for fundamental solid-state physics research. Its position on the convex hull indicates high thermodynamic stability, suggesting reliable phase behavior under standard conditions. The compound has been characterized across multiple structural databases, reflecting significant interest in its crystallographic arrangements. These structural variations are critical for understanding how atomic ordering influences its electronic properties, providing a foundation for potential applications in functional materials science.

At a glance

Key Properties

Cross-validated computational properties for CaMoO3, aggregated across 3 databases.

Band Gap

1.14 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 5 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaMoO3.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CaMoO3 is used.

Solid-state electronics researchFundamental materials characterizationPerovskite-related oxide studies
Reference

Frequently Asked Questions

Common questions about CaMoO3, answered from cross-validated data.

What is CaMoO3?

CaMoO3 is a thermodynamically stable semiconducting oxide of calcium and molybdenum used in materials science research.

More questions
What is CaMoO3 used for?
CaMoO3 is used in solid-state electronics research, fundamental materials characterization, and perovskite-related oxide studies.
What is the band gap of CaMoO3?
CaMoO3 has a DFT-computed band gap of 1.14 eV across 9 reported structures.
Is CaMoO3 a metal, semiconductor, or insulator?
With a band gap up to 1.14 eV it is a semiconductor.
Is CaMoO3 thermodynamically stable?
Yes — CaMoO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaMoO3 are known?
9 structures of CaMoO3 are reported across 3 databases, spanning 5 distinct space groups.
How is CaMoO3 synthesized?
Literature-reported routes for CaMoO3 include sol gel, solid state (2 procedures documented).
What elements does CaMoO3 contain?
CaMoO3 contains Ca, Mo, and O (3 elements).
Where does the data for CaMoO3 come from?
CaMoO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconducting oxide, CaMoO3 serves as a representative example of how transition metal oxides can be tuned for specific electronic behaviors. While it exists as a distinct phase within the landscape of calcium-molybdenum-oxygen compounds, its stability and semiconducting nature position it as a valuable reference point for studying the interplay between structural geometry and charge transport in complex oxide systems.

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

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