TiTeRu

TiTeRu is a metastable, semiconducting ternary alloy containing ruthenium, titanium, and tellurium, investigated primarily for its potential catalytic properties.

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

About TiTeRu

TiTeRu is a complex ternary compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of transition metal chemistry and chalcogenide integration. Its structural complexity is evidenced by multiple reported configurations across various databases, highlighting its intricate atomic arrangement.

Despite its potential interest in catalytic research, the compound is identified as being above the thermodynamic hull, suggesting it is a metastable phase. This instability is a critical factor for researchers evaluating its synthesis pathways and long-term viability in high-performance chemical applications where structural integrity is paramount.

At a glance

Key Properties

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

Band Gap

0.79 eV
Range across DFT structures

Energy Above Hull

0.194 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

11
3 databases, 6 space groups
Uses

Applications

Where TiTeRu is used.

Catalytic researchMaterials science explorationSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is TiTeRu?

TiTeRu is a metastable, semiconducting ternary alloy containing ruthenium, titanium, and tellurium, investigated primarily for its potential catalytic properties.

More questions
What is TiTeRu used for?
TiTeRu is used in catalytic research, materials science exploration, and solid-state chemistry studies.
What is the band gap of TiTeRu?
TiTeRu has a DFT-computed band gap of 0.79 eV across 11 reported structures.
Is TiTeRu a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is TiTeRu thermodynamically stable?
TiTeRu has a lowest energy above hull of 0.194 eV/atom (above hull).
How many polymorphs of TiTeRu are known?
11 structures of TiTeRu are reported across 3 databases, spanning 6 distinct space groups.
What elements does TiTeRu contain?
TiTeRu contains Ru, Te, and Ti (3 elements).
Where does the data for TiTeRu come from?
TiTeRu data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloy catalysts, TiTeRu occupies a distinct niche compared to more stable or common siblings like GeRu or Ga2Ru. While many members of this class exhibit robust thermodynamic profiles, TiTeRu stands out due to its metastable nature and semiconducting behavior, which contrasts with the more conventional metallic or highly stable intermetallic characteristics found in other members such as BaPd or LaRh.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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