LiRh2W

LiRh2W is a semiconducting ternary lithium-rhodium-tungsten alloy that exists in a metastable state.

Crystal structure of LiRh2W
Ground-state structure · Materials Project
Overview

About LiRh2W

LiRh2W is a complex ternary alloy categorized within the platinum-group metal systems. As a semiconducting material, it represents a unique electronic configuration distinct from the typical metallic behavior associated with its constituent heavy transition metals. Its structural diversity is evidenced by multiple reported configurations across major materials databases. Despite its interesting composition, the compound is characterized as being thermodynamically situated above the hull, suggesting it is likely unstable under standard conditions. This metastable nature makes it a subject of significant interest for researchers investigating the limits of phase stability in lithium-containing transition metal alloys.

At a glance

Key Properties

Cross-validated computational properties for LiRh2W, aggregated across 3 databases.

Band Gap

0.23 eV
Range across DFT structures

Energy Above Hull

2.919 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

10
3 databases, 3 space groups
Uses

Applications

Where LiRh2W is used.

Catalysis researchMaterials science explorationSolid-state phase stability studies
Reference

Frequently Asked Questions

Common questions about LiRh2W, answered from cross-validated data.

What is LiRh2W?

LiRh2W is a semiconducting ternary lithium-rhodium-tungsten alloy that exists in a metastable state.

More questions
What is LiRh2W used for?
LiRh2W is used in catalysis research, materials science exploration, and solid-state phase stability studies.
What is the band gap of LiRh2W?
LiRh2W has a DFT-computed band gap of 0.23 eV across 10 reported structures.
Is LiRh2W a metal, semiconductor, or insulator?
With a band gap up to 0.23 eV it is a semiconductor.
Is LiRh2W thermodynamically stable?
LiRh2W has a lowest energy above hull of 2.919 eV/atom (above hull).
How many polymorphs of LiRh2W are known?
10 structures of LiRh2W are reported across 3 databases, spanning 3 distinct space groups.
What elements does LiRh2W contain?
LiRh2W contains Li, Rh, and W (3 elements).
Where does the data for LiRh2W come from?
LiRh2W data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the class of platinum-group alloy catalysts, LiRh2W stands out as a rare lithium-bearing ternary phase compared to more conventional binary systems like LaRh or As2Pt. While many of its siblings in this group exhibit stable, metallic characteristics, LiRh2W is defined by its semiconducting nature and its tendency toward metastability, setting it apart from the more robust, highly symmetric structures often found in the broader catalog of platinum-group catalysts.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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