Rb2PbCl6

Rb2PbCl6 is a thermodynamically stable, semiconducting lead-halide compound used as a model material in photovoltaic and solid-state research.

Crystal structure of Rb2PbCl6 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Rb2PbCl6

Rb2PbCl6 is a semiconducting halide material that occupies a stable position on the thermodynamic convex hull. As a member of the halide perovskite family, it represents a significant subject of study for researchers aiming to understand the structural diversity and electronic potential of lead-based halide frameworks.

Its inherent stability makes it a compelling candidate for fundamental investigations into solid-state chemistry and optoelectronic behavior. By maintaining a well-defined structural profile across multiple databases, this compound serves as a reliable reference point for modeling the performance and durability of next-generation photovoltaic materials.

At a glance

Key Properties

Cross-validated computational properties for Rb2PbCl6, aggregated across 3 databases.

Band Gap

1.26 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Rb2PbCl6, 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)cubic1.260.0000-3.5693.62
Fm-3m (No. 225)
Fm-3m (No. 225)Cubic3.49
Fm-3m (No. 225)Cubic3.37
Fm-3m (No. 225)Cubic3.49
Uses

Applications

Where Rb2PbCl6 is used.

Photovoltaic researchSolid-state optoelectronic modelingFundamental materials science
Reference

Frequently Asked Questions

Common questions about Rb2PbCl6, answered from cross-validated data.

What is Rb2PbCl6?

Rb2PbCl6 is a thermodynamically stable, semiconducting lead-halide compound used as a model material in photovoltaic and solid-state research.

More questions
What is Rb2PbCl6 used for?
Rb2PbCl6 is used in photovoltaic research, solid-state optoelectronic modeling, and fundamental materials science.
What is the band gap of Rb2PbCl6?
Rb2PbCl6 has a DFT-computed band gap of 1.26 eV across 5 reported structures.
Is Rb2PbCl6 a metal, semiconductor, or insulator?
With a band gap up to 1.26 eV it is a semiconductor.
Is Rb2PbCl6 thermodynamically stable?
Yes — Rb2PbCl6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2PbCl6?
The lowest-energy reported polymorph of Rb2PbCl6 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Rb2PbCl6?
The computed density of the ground-state structure of Rb2PbCl6 is 3.62 g/cm³.
How many polymorphs of Rb2PbCl6 are known?
5 structures of Rb2PbCl6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb2PbCl6 contain?
Rb2PbCl6 contains Cl, Pb, and Rb (3 elements).
Where does the data for Rb2PbCl6 come from?
Rb2PbCl6 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Within the broader class of halide perovskites and related halides, Rb2PbCl6 is distinguished by its thermodynamic robustness compared to more volatile or moisture-sensitive siblings like CsSnI3. While compounds such as CsPbBr3 are frequently optimized for high-efficiency solar conversion, Rb2PbCl6 provides a structurally stable alternative that allows researchers to probe the limits of lead-halide lattice configurations without the instability often associated with more complex perovskite variants.

Explore

Related Compounds

Other Halide Perovskite Photovoltaics in the database.

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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