Hf2Rh1Zn1

Hf2Rh1Zn1 is a semiconducting ternary intermetallic compound composed of hafnium, rhodium, and zinc.

Crystal structure of Hf2Rh1Zn1
Ground-state structure · Materials Project
Overview

About Hf2Rh1Zn1

Hf2Rh1Zn1 is a complex intermetallic compound categorized within the platinum-group alloy class. Characterized by its semiconducting electronic behavior, this material represents a unique intersection of transition metal chemistry and structural diversity, as evidenced by its presence across multiple reported structural configurations.

While its thermodynamic status places it above the stability hull, suggesting potential metastability, it remains a subject of interest for researchers studying the phase space of ternary hafnium-rhodium-zinc systems. Its structural complexity highlights the intricate bonding environments typical of advanced alloy catalysts.

At a glance

Key Properties

Cross-validated computational properties for Hf2Rh1Zn1, aggregated across 2 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

3.297 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 14 space groups
Uses

Applications

Where Hf2Rh1Zn1 is used.

Materials science researchCatalysis studiesSolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about Hf2Rh1Zn1, answered from cross-validated data.

What is Hf2Rh1Zn1?

Hf2Rh1Zn1 is a semiconducting ternary intermetallic compound composed of hafnium, rhodium, and zinc.

More questions
What is Hf2Rh1Zn1 used for?
Hf2Rh1Zn1 is used in materials science research, catalysis studies, and solid-state chemistry exploration.
What is the band gap of Hf2Rh1Zn1?
Hf2Rh1Zn1 has a DFT-computed band gap of 0.11 eV across 27 reported structures.
Is Hf2Rh1Zn1 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Hf2Rh1Zn1 thermodynamically stable?
Hf2Rh1Zn1 has a lowest energy above hull of 3.297 eV/atom (above hull).
How many polymorphs of Hf2Rh1Zn1 are known?
27 structures of Hf2Rh1Zn1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Hf2Rh1Zn1 contain?
Hf2Rh1Zn1 contains Hf, Rh, and Zn (3 elements).
Where does the data for Hf2Rh1Zn1 come from?
Hf2Rh1Zn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more stable or widely utilized members of the platinum-group alloy class such as LaRh or GeRu, Hf2Rh1Zn1 occupies a more precarious thermodynamic position. While siblings like As2Pt or IrSe2 are often explored for their robust catalytic properties, this hafnium-based variant is primarily noted for its structural variety and its role in mapping the broader, less-explored regions of transition metal alloy phase diagrams.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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