K2SnBr6

K2SnBr6 is a stable, semiconducting halide perovskite used in materials research for potential photovoltaic and optoelectronic applications.

Crystal structure of K2SnBr6 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About K2SnBr6

K2SnBr6 is a semiconducting halide material that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the halide perovskite family, it represents a promising candidate for optoelectronic applications where chemical robustness is a primary design requirement.

Its electronic character makes it an intriguing subject for researchers aiming to move beyond traditional lead-based perovskites. By leveraging its stable crystalline framework, scientists are exploring how this compound can contribute to the development of durable, efficient thin-film solar cells and light-harvesting architectures.

At a glance

Key Properties

Cross-validated computational properties for K2SnBr6, aggregated across 3 databases.

Band Gap

1.18–1.61 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K2SnBr6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.610.0000-3.3323.70
P4/mnc (No. 128)tetragonal1.560.0064-3.3263.74
Fm-3m (No. 225)cubic1.180.0162-3.3163.72
P4/mnc (No. 128)Tetragonal3.55
P4/mnc (No. 128)Tetragonal3.69
P4/mnc (No. 128)Tetragonal3.67
P4/mnc (No. 128)
Fm-3m (No. 225)Cubic3.55
Fm-3m (No. 225)Cubic3.66
P21/c (No. 14)
Fm-3m (No. 225)
Fm-3m (No. 225)Cubic3.68
Uses

Applications

Where K2SnBr6 is used.

Photovoltaic devicesOptoelectronic sensorsSemiconductor research
Reference

Frequently Asked Questions

Common questions about K2SnBr6, answered from cross-validated data.

What is K2SnBr6?

K2SnBr6 is a stable, semiconducting halide perovskite used in materials research for potential photovoltaic and optoelectronic applications.

More questions
What is K2SnBr6 used for?
K2SnBr6 is used in photovoltaic devices, optoelectronic sensors, and semiconductor research.
What is the band gap of K2SnBr6?
K2SnBr6 has a DFT-computed band gap of 1.18–1.61 eV across 12 reported structures.
Is K2SnBr6 a metal, semiconductor, or insulator?
With a band gap up to 1.61 eV it is a semiconductor.
Is K2SnBr6 thermodynamically stable?
Yes — K2SnBr6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2SnBr6?
The lowest-energy reported polymorph of K2SnBr6 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of K2SnBr6?
The computed density of the ground-state structure of K2SnBr6 is 3.70 g/cm³.
How many polymorphs of K2SnBr6 are known?
12 structures of K2SnBr6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does K2SnBr6 contain?
K2SnBr6 contains Br, K, and Sn (3 elements).
Where does the data for K2SnBr6 come from?
K2SnBr6 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Within the diverse landscape of halide perovskites, K2SnBr6 offers a distinct alternative to high-profile materials like CsPbBr3 or CsSnI3. While many lead-based counterparts are frequently studied for their exceptional light-absorption properties, K2SnBr6 is valued for its inherent thermodynamic stability, providing a more resilient structural profile that addresses some of the degradation challenges often associated with more volatile perovskite siblings.

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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