MoRu3

MoRu3 is a thermodynamically stable metallic alloy composed of molybdenum and ruthenium, frequently studied for its potential in advanced catalytic processes.

Crystal structure of MoRu3
Ground-state structure · Materials Project
Overview

About MoRu3

MoRu3 is a metallic intermetallic compound belonging to the platinum-group alloy catalyst family. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for demanding chemical environments where structural integrity is paramount. The material exhibits a rich structural landscape, supported by numerous experimental observations across multiple databases. This complexity underscores its versatility in catalytic applications requiring precise surface configurations. By leveraging the synergistic effects between molybdenum and ruthenium, this alloy provides a unique electronic environment that differs significantly from its constituent elements. It is primarily investigated for its potential in advanced catalysis, where its metallic nature facilitates efficient electron transfer during complex surface reactions.

At a glance

Key Properties

Cross-validated computational properties for MoRu3, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

45
4 databases, 14 space groups
Uses

Applications

Where MoRu3 is used.

Heterogeneous catalysisElectrocatalytic surface researchAdvanced materials development
Reference

Frequently Asked Questions

Common questions about MoRu3, answered from cross-validated data.

What is MoRu3?

MoRu3 is a thermodynamically stable metallic alloy composed of molybdenum and ruthenium, frequently studied for its potential in advanced catalytic processes.

More questions
What is MoRu3 used for?
MoRu3 is used in heterogeneous catalysis, electrocatalytic surface research, and advanced materials development.
What is the band gap of MoRu3?
MoRu3 is computed to be metallic (no band gap) in the reported DFT structures.
Is MoRu3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is MoRu3 thermodynamically stable?
Yes — MoRu3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MoRu3 are known?
45 structures of MoRu3 are reported across 4 databases, spanning 14 distinct space groups.
What elements does MoRu3 contain?
MoRu3 contains Mo and Ru (2 elements).
Where does the data for MoRu3 come from?
MoRu3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse class of platinum-group alloys, MoRu3 distinguishes itself through its exceptional thermodynamic stability compared to more metastable members like BaPd or LaRh. While many compounds in this group, such as GeRu or Ga2Ru, are studied for their specific stoichiometric arrangements, MoRu3 stands out for its structural density and the high frequency of its appearance in experimental datasets, positioning it as a highly reliable baseline material for catalytic alloy development.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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