CsPbBr3

Cesium lead bromide · CPB

Cesium lead bromide is a halide perovskite material known for its exceptional optoelectronic properties. It is widely researched for its potential to improve the efficiency and performance of next-generation light-emitting devices and solar energy harvesting technologies.

Crystal structure of CsPbBr3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cesium lead bromide, aggregated across 2 databases.

Band Gap

1.78–2.88 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

20
2 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CsPbBr3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic2.880.0000-3.5415.01
Pnma (No. 62)orthorhombic2.010.0046-3.5364.73
I4/mcm (No. 140)tetragonal1.820.0075-3.5334.74
Amm2 (No. 38)orthorhombic1.960.0091-3.5324.72
Pm-3m (No. 221)cubic1.780.0251-3.5164.57
Pm-3m (No. 221)Cubic4.60
Pnma (No. 62)Orthorhombic4.91
Amm2 (No. 38)Orthorhombic4.66
Amm2 (No. 38)Orthorhombic4.49
Pnma (No. 62)Orthorhombic4.67
I4/mcm (No. 140)Tetragonal4.50
Pnma (No. 62)Orthorhombic4.93
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CsPbBr3.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Cesium lead bromide is used.

PhotovoltaicsLight-emitting diodesPhotodetectorsRadiation detection
Reference

Frequently Asked Questions

Common questions about Cesium lead bromide, answered from cross-validated data.

What is CsPbBr3?

Cesium lead bromide is a halide perovskite material known for its exceptional optoelectronic properties. It is widely researched for its potential to improve the efficiency and performance of next-generation light-emitting devices and solar energy harvesting technologies.

More questions
What is CsPbBr3 used for?
Cesium lead bromide (CsPbBr3) is used in photovoltaics, light-emitting diodes, photodetectors, and radiation detection.
What is the band gap of CsPbBr3?
Cesium lead bromide (CsPbBr3) has a DFT-computed band gap of 1.78–2.88 eV across 20 reported structures.
Is CsPbBr3 a metal, semiconductor, or insulator?
With a band gap up to 2.88 eV it is a semiconductor.
Is CsPbBr3 thermodynamically stable?
Yes — Cesium lead bromide (CsPbBr3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CsPbBr3?
The lowest-energy reported polymorph of Cesium lead bromide (CsPbBr3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of CsPbBr3?
The computed density of the ground-state structure of Cesium lead bromide (CsPbBr3) is 5.01 g/cm³.
How many polymorphs of CsPbBr3 are known?
20 structures of CsPbBr3 are reported across 2 databases, spanning 4 distinct space groups.
How is CsPbBr3 synthesized?
Literature-reported routes for CsPbBr3 include sol-gel (2 procedures documented).
What elements does CsPbBr3 contain?
Cesium lead bromide (CsPbBr3) contains Br, Cs, and Pb (3 elements).
Where does the data for CsPbBr3 come from?
CsPbBr3 data is cross-referenced from materials_project, mpaloe.
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.

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