RbF

rubidium fluoride · rubidium(I) fluoride

Rubidium fluoride is a stable, insulating salt composed of rubidium and fluorine that is widely studied for its fundamental ionic properties.

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

About rubidium fluoride

Rubidium fluoride is a simple inorganic salt composed of rubidium and fluorine. As a wide-gap insulator, it exhibits high electronic stability and exists as a thermodynamically stable phase on the convex hull, making it a reliable subject for fundamental materials research. The compound is characterized by its high structural consistency, supported by extensive data across multiple material databases. Its chemical behavior is typical of alkali halides, where the ionic bonding dictates its crystal structure and physical properties. It serves as a foundational material in solid-state chemistry for studying ionic lattice dynamics and halide interactions.

At a glance

Key Properties

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

Band Gap

5.00–7.04 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

100
3 databases, 19 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of RbF. 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 RbF, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——6.150.0000-2.857—
Fm-3m (No. 225)cubic5.960.0000-2.869—
Fm-3m (No. 225)cubic5.530.0000-4.3213.88
——6.160.0056-2.852—
——6.170.0144-2.843—
P-6m2 (No. 187)hexagonal5.430.0192-2.850—
——6.220.0263-2.831—
——6.180.0341-2.823—
——6.180.0382-2.819—
——5.920.0418-2.816—
Pm-3m (No. 221)cubic5.910.0516-4.2694.53
Pm-3m (No. 221)cubic6.720.0519-2.817—
Uses

Applications

Where rubidium fluoride is used.

Laboratory reagentOptical material researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about rubidium fluoride, answered from cross-validated data.

What is RbF?

Rubidium fluoride is a stable, insulating salt composed of rubidium and fluorine that is widely studied for its fundamental ionic properties.

More questions
What is RbF used for?
rubidium fluoride (RbF) is used in laboratory reagent, optical material research, and solid-state chemistry studies.
What is the band gap of RbF?
rubidium fluoride (RbF) has a DFT-computed band gap of 5.00–7.04 eV across 100 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is RbF a metal, semiconductor, or insulator?
DFT predicts a wide band gap of up to 7.04 eV (an insulator or wide-band-gap material).
Is RbF thermodynamically stable?
Yes — rubidium fluoride (RbF) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of RbF?
The reference structure of rubidium fluoride (RbF) is cubic symmetry, space group Fm-3m (No. 225).
How many polymorphs of RbF are known?
100 structures of RbF are reported across 3 databases, spanning 19 distinct space groups.
What elements does RbF contain?
rubidium fluoride (RbF) contains F and Rb (2 elements).
Where does the data for RbF come from?
RbF data is cross-referenced from oqmd, jarvis, materials_project, mpaloe.
Comparison

How It Compares

As a member of the alkali halide family, rubidium fluoride represents a stable, well-defined ionic compound. It serves as a benchmark for understanding the structural trends and bonding characteristics inherent to the group, providing a clear reference point for the study of larger alkali metal halides.

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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