BiHg2K

BiHg2K is a semiconducting ternary compound investigated as a potential, though thermodynamically unstable, candidate for photovoltaic applications.

Crystal structure of BiHg2K
Ground-state structure · Materials Project
Overview

About BiHg2K

BiHg2K is a complex ternary compound categorized within the broader research framework of halide perovskite photovoltaics. As a semiconducting material, it represents an unconventional exploration into how heavy elements like bismuth and mercury can be integrated into lattice structures to tune electronic properties.

Despite its classification, the compound is identified as being thermodynamically unstable relative to its constituent elements. Its presence in structural databases highlights ongoing efforts to map the chemical space of potential photovoltaic absorbers, even when those materials exist as metastable phases.

At a glance

Key Properties

Cross-validated computational properties for BiHg2K, aggregated across 3 databases.

Band Gap

0.13 eV
Range across DFT structures

Energy Above Hull

0.752 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 2 space groups
Uses

Applications

Where BiHg2K is used.

Photovoltaic researchSemiconductor materials exploration
Reference

Frequently Asked Questions

Common questions about BiHg2K, answered from cross-validated data.

What is BiHg2K?

BiHg2K is a semiconducting ternary compound investigated as a potential, though thermodynamically unstable, candidate for photovoltaic applications.

More questions
What is BiHg2K used for?
BiHg2K is used in photovoltaic research and semiconductor materials exploration.
What is the band gap of BiHg2K?
BiHg2K has a DFT-computed band gap of 0.13 eV across 3 reported structures.
Is BiHg2K a metal, semiconductor, or insulator?
With a band gap up to 0.13 eV it is a semiconductor.
Is BiHg2K thermodynamically stable?
BiHg2K has a lowest energy above hull of 0.752 eV/atom (above hull).
How many polymorphs of BiHg2K are known?
3 structures of BiHg2K are reported across 3 databases, spanning 2 distinct space groups.
What elements does BiHg2K contain?
BiHg2K contains Bi, Hg, and K (3 elements).
Where does the data for BiHg2K come from?
BiHg2K data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Unlike the highly stable and widely utilized CsPbBr3, which serves as a benchmark for high-performance perovskite solar cells, BiHg2K occupies a more speculative position in the class. While siblings like CsSnI3 are actively researched for their optoelectronic potential, BiHg2K remains a theoretical curiosity due to its instability above the hull, distinguishing it from the more robust halide-based frameworks.

Explore

Related Compounds

Other Halide Perovskite Photovoltaics in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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