RbCl

Rubidium chloride

Rubidium chloride is a stable, insulating salt widely utilized in scientific research and chemical synthesis.

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

About Rubidium chloride

Rubidium chloride is a thermodynamically stable inorganic salt that exists as a wide-gap insulator. Its robust electronic structure makes it a foundational material for understanding alkali halide behavior in solid-state physics.

Due to its high level of data richness, this compound serves as a primary reference point in structural databases. It is frequently utilized in specialized laboratory settings and as a precursor in the synthesis of other rubidium-containing compounds.

At a glance

Key Properties

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

Band Gap

3.60–5.34 eV
Range across DFT structures · ground state: insulator

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
3 DFT sources

Structures

44
3 databases, 12 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of RbCl. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——4.980.0000-2.132—
Fm-3m (No. 225)cubic4.860.0000-2.091—
Fm-3m (No. 225)cubic4.840.0000-3.6592.77
——5.080.0011-2.131—
——5.090.0015-2.130—
——5.120.0017-2.130—
Fm-3m (No. 225)cubic5.080.0190-2.072—
Pm-3m (No. 221)cubic5.340.0233-2.068—
——5.080.0290-2.103—
Pm-3m (No. 221)cubic4.780.0298-3.6303.29
P-6m2 (No. 187)hexagonal4.580.0435-2.048—
——4.710.0471-2.085—
Uses

Applications

Where Rubidium chloride is used.

Laboratory reagentPrecursor for rubidium-based materialsBiochemical researchSolid-state physics studies
Reference

Frequently Asked Questions

Common questions about Rubidium chloride, answered from cross-validated data.

What is RbCl?

Rubidium chloride is a stable, insulating salt widely utilized in scientific research and chemical synthesis.

More questions
What is RbCl used for?
Rubidium chloride (RbCl) is used in laboratory reagent, precursor for rubidium-based materials, biochemical research, and solid-state physics studies.
What is the band gap of RbCl?
Rubidium chloride (RbCl) has a DFT-computed band gap of 3.60–5.34 eV across 44 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is RbCl a metal, semiconductor, or insulator?
DFT predicts a wide band gap of up to 5.34 eV (an insulator or wide-band-gap material).
Is RbCl thermodynamically stable?
Yes — Rubidium chloride (RbCl) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of RbCl?
The reference structure of Rubidium chloride (RbCl) is cubic symmetry, space group Fm-3m (No. 225).
How many polymorphs of RbCl are known?
44 structures of RbCl are reported across 3 databases, spanning 12 distinct space groups.
What elements does RbCl contain?
Rubidium chloride (RbCl) contains Cl and Rb (2 elements).
Where does the data for RbCl come from?
RbCl data is cross-referenced from oqmd, jarvis, materials_project, mpaloe.
Comparison

How It Compares

As a fundamental alkali halide, rubidium chloride serves as a standard model for studying ionic bonding and crystal lattice dynamics, representing a baseline for stability and electronic behavior within its chemical class.

Data sources & attribution
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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