RbPbCl3

RbPbCl3 is a thermodynamically stable, wide-gap insulating halide perovskite used primarily in fundamental materials research.

Crystal structure of RbPbCl3 (orthorhombic, Cmcm (No. 63))
Ground-state structure · Materials Project
Overview

About RbPbCl3

RbPbCl3 is a structurally robust member of the halide perovskite family. As a thermodynamically stable compound, it maintains a well-defined crystalline arrangement that makes it a significant subject for structural analysis within materials science databases. Its insulating electronic character distinguishes it from the highly conductive semiconductors typically associated with solar energy conversion, marking it as a unique candidate for fundamental studies in perovskite physics. The material is frequently investigated for its potential in optoelectronic applications where wide-gap insulating properties are required. Its presence on the convex hull ensures that it remains a reliable reference point for researchers exploring the stability limits of lead-based halide frameworks.

At a glance

Key Properties

Cross-validated computational properties for RbPbCl3, aggregated across 3 databases.

Band Gap

2.19–3.26 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for RbPbCl3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmcm (No. 63)orthorhombic3.260.0000-3.9154.12
Cm (No. 8)monoclinic2.190.0381-3.8763.55
Pm-3m (No. 221)cubic2.200.0384-3.8763.53
Cmcm (No. 63)Orthorhombic3.93
Cmcm (No. 63)Orthorhombic4.05
Cmcm (No. 63)Orthorhombic4.07
Cmcm (No. 63)
Cm (No. 8)Monoclinic3.55
Cm (No. 8)Monoclinic3.67
Pm-3m (No. 221)
Pm (No. 6)
Cm (No. 8)Monoclinic3.64
Uses

Applications

Where RbPbCl3 is used.

Optoelectronic researchFundamental perovskite structural studiesInsulating layer development
Reference

Frequently Asked Questions

Common questions about RbPbCl3, answered from cross-validated data.

What is RbPbCl3?

RbPbCl3 is a thermodynamically stable, wide-gap insulating halide perovskite used primarily in fundamental materials research.

More questions
What is RbPbCl3 used for?
RbPbCl3 is used in optoelectronic research, fundamental perovskite structural studies, and insulating layer development.
What is the band gap of RbPbCl3?
RbPbCl3 has a DFT-computed band gap of 2.19–3.26 eV across 13 reported structures.
Is RbPbCl3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.26 eV it is an insulator / wide-band-gap material.
Is RbPbCl3 thermodynamically stable?
Yes — RbPbCl3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbPbCl3?
The lowest-energy reported polymorph of RbPbCl3 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of RbPbCl3?
The computed density of the ground-state structure of RbPbCl3 is 4.12 g/cm³.
How many polymorphs of RbPbCl3 are known?
13 structures of RbPbCl3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does RbPbCl3 contain?
RbPbCl3 contains Cl, Pb, and Rb (3 elements).
Where does the data for RbPbCl3 come from?
RbPbCl3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Within the broader class of halide perovskites, RbPbCl3 serves as a stable, wide-gap counterpart to more commonly studied semiconductors like CsPbBr3 and CsSnI3. While many members of this class are optimized for narrow-gap photovoltaic performance, RbPbCl3 provides a contrast in electronic behavior, functioning more as an insulator compared to the highly active, narrow-gap members like CsSnI3 or the fluoride-based variants such as RbPbF3.

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).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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