RbAu

RbAu is a stable, semiconducting intermetallic compound composed of rubidium and gold.

AuRb
Crystal structure of RbAu (cubic, Pm-3m (No. 221))
Ground-state structure · Materials Project
Overview

About RbAu

RbAu is a thermodynamically stable intermetallic compound that occupies a unique position on the convex hull. Its electronic character is defined as semiconducting, distinguishing it from typical metallic alloys and making it a subject of significant interest in solid-state chemistry.

Due to its structural complexity, this material has been extensively characterized across multiple databases. It serves as a critical model for understanding the interactions between alkali metals and noble metals in the solid state.

At a glance

Key Properties

Cross-validated computational properties for RbAu, aggregated across 4 databases.

Band Gap

0.37 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

38
4 databases, 12 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm-3m (No. 221)cubic0.370.0000-2.4016.78
Pm-3m (No. 221)
P1 (No. 1)Triclinic4.47
P1 (No. 1)Triclinic4.63
C2/m (No. 12)Monoclinic5.21
C2/m (No. 12)Monoclinic4.99
Pm-3m (No. 221)Cubic6.75
P-1 (No. 2)Triclinic5.65
Pm-3m (No. 221)Cubic6.32
Pm-3m (No. 221)Cubic6.54
Pnma (No. 62)Orthorhombic5.00
R-3m (No. 166)Trigonal5.33
Uses

Applications

Where RbAu is used.

Solid-state physics researchFundamental materials science studies
Reference

Frequently Asked Questions

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

What is RbAu?

RbAu is a stable, semiconducting intermetallic compound composed of rubidium and gold.

More questions
What is RbAu used for?
RbAu is used in solid-state physics research and fundamental materials science studies.
What is the band gap of RbAu?
RbAu has a DFT-computed band gap of 0.37 eV across 38 reported structures.
Is RbAu a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is RbAu thermodynamically stable?
Yes — RbAu sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbAu?
The lowest-energy reported polymorph of RbAu is cubic symmetry, space group Pm-3m (No. 221).
What is the density of RbAu?
The computed density of the ground-state structure of RbAu is 6.78 g/cm³.
How many polymorphs of RbAu are known?
38 structures of RbAu are reported across 4 databases, spanning 12 distinct space groups.
What elements does RbAu contain?
RbAu contains Au and Rb (2 elements).
Where does the data for RbAu come from?
RbAu data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a thermodynamically stable semiconductor, RbAu represents a distinct case within the landscape of binary intermetallic phases, providing a benchmark for stability and electronic behavior in systems where gold and rubidium are combined.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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