MgRh2Sb

MgRh2Sb is a semimetallic ternary alloy containing magnesium, rhodium, and antimony that shows promise for synthesis and catalytic research.

Crystal structure of MgRh2Sb (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About MgRh2Sb

MgRh2Sb is a complex ternary intermetallic compound classified within the platinum-group alloy family. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique position between traditional metallic conductors and semiconducting materials.

This compound is considered thermodynamically stable and sits near the convex hull, suggesting it is a viable candidate for experimental synthesis. Its structural complexity and electronic properties make it a subject of interest for researchers investigating specialized catalytic and electronic applications.

At a glance

Key Properties

Cross-validated computational properties for MgRh2Sb, aggregated across 3 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgRh2Sb, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic0.000.0070-5.6369.32
Immm (No. 71)orthorhombic0.052.5673-3.0760.68
8.53
Uses

Applications

Where MgRh2Sb is used.

Catalysis researchIntermetallic materials scienceElectronic property studies
Reference

Frequently Asked Questions

Common questions about MgRh2Sb, answered from cross-validated data.

What is MgRh2Sb?

MgRh2Sb is a semimetallic ternary alloy containing magnesium, rhodium, and antimony that shows promise for synthesis and catalytic research.

More questions
What is MgRh2Sb used for?
MgRh2Sb is used in catalysis research, intermetallic materials science, and electronic property studies.
What is the band gap of MgRh2Sb?
MgRh2Sb has a DFT-computed band gap of 0.05 eV across 7 reported structures.
Is MgRh2Sb a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is MgRh2Sb thermodynamically stable?
MgRh2Sb has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of MgRh2Sb?
The lowest-energy reported polymorph of MgRh2Sb is cubic symmetry, space group Fm-3m (No. 225).
What is the density of MgRh2Sb?
The computed density of the ground-state structure of MgRh2Sb is 9.32 g/cm³.
How many polymorphs of MgRh2Sb are known?
7 structures of MgRh2Sb are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgRh2Sb contain?
MgRh2Sb contains Mg, Rh, and Sb (3 elements).
Where does the data for MgRh2Sb come from?
MgRh2Sb data is cross-referenced from materials_project, alexandria, omat24.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloys, MgRh2Sb occupies a distinct niche compared to binary counterparts like P3Ru or BaPd. While many members of this class are explored for their specific catalytic surface activities, MgRh2Sb's ternary composition and semimetallic nature provide a different electronic landscape for potential chemical interactions compared to the more conventional metallic behavior seen in materials like LaRh or GeRu.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • alexandria — Data from alexandria.
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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