Mo1Ru2Zn1

Mo1Ru2Zn1 is a semiconducting ternary alloy composed of molybdenum, ruthenium, and zinc that is studied for its unique structural and electronic properties.

Crystal structure of Mo1Ru2Zn1
Ground-state structure · Materials Project
Overview

About Mo1Ru2Zn1

Mo1Ru2Zn1 is a specialized ternary alloy belonging to the platinum-group catalyst class. Characterized by its semiconducting electronic nature, this compound represents a complex arrangement of molybdenum, ruthenium, and zinc atoms that has been documented across multiple structural configurations in materials databases. Its existence as a metastable phase suggests unique synthesis pathways are required to stabilize its atomic architecture.

While its thermodynamic status places it above the hull, the compound remains a subject of interest for researchers investigating the electronic properties of transition metal alloys. Its potential utility lies in its ability to influence catalytic surface interactions, leveraging the distinct chemical behaviors of its constituent elements to create tailored electronic environments for specific chemical transformations.

At a glance

Key Properties

Cross-validated computational properties for Mo1Ru2Zn1, aggregated across 2 databases.

Band Gap

0.38 eV
Range across DFT structures

Energy Above Hull

3.175 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Uses

Applications

Where Mo1Ru2Zn1 is used.

Catalysis researchMaterials science explorationElectronic property studies
Reference

Frequently Asked Questions

Common questions about Mo1Ru2Zn1, answered from cross-validated data.

What is Mo1Ru2Zn1?

Mo1Ru2Zn1 is a semiconducting ternary alloy composed of molybdenum, ruthenium, and zinc that is studied for its unique structural and electronic properties.

More questions
What is Mo1Ru2Zn1 used for?
Mo1Ru2Zn1 is used in catalysis research, materials science exploration, and electronic property studies.
What is the band gap of Mo1Ru2Zn1?
Mo1Ru2Zn1 has a DFT-computed band gap of 0.38 eV across 27 reported structures.
Is Mo1Ru2Zn1 a metal, semiconductor, or insulator?
With a band gap up to 0.38 eV it is a semiconductor.
Is Mo1Ru2Zn1 thermodynamically stable?
Mo1Ru2Zn1 has a lowest energy above hull of 3.175 eV/atom (above hull).
How many polymorphs of Mo1Ru2Zn1 are known?
27 structures of Mo1Ru2Zn1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Mo1Ru2Zn1 contain?
Mo1Ru2Zn1 contains Mo, Ru, and Zn (3 elements).
Where does the data for Mo1Ru2Zn1 come from?
Mo1Ru2Zn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the broader class of platinum-group alloys, Mo1Ru2Zn1 occupies a distinct niche compared to more conventional, stable intermetallics like GeRu or Ga2Ru. While many of its siblings exhibit robust thermodynamic stability, this compound is notable for its metastable character, which differentiates it from the more readily synthesized members of the group such as As2Pt or IrSe2.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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