Ge2K4Se6

Ge2K4Se6 is a stable, semiconducting inorganic compound primarily used in research for its potential applications in advanced photovoltaic and optoelectronic technologies.

Crystal structure of Ge2K4Se6 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Ge2K4Se6

Ge2K4Se6 is a semiconducting compound that occupies a stable position on the convex hull, indicating significant structural robustness. As a member of the broader halide perovskite and related chalcogenide family, it serves as an intriguing subject for investigating charge carrier dynamics in complex inorganic frameworks. Its electronic character makes it a candidate for fundamental research into next-generation optoelectronic materials. The compound is supported by multiple reported structures across major materials databases, reflecting its importance in computational and experimental materials science. It is primarily utilized in academic and industrial research settings focused on discovering efficient, stable semiconductors for energy conversion technologies.

At a glance

Key Properties

Cross-validated computational properties for Ge2K4Se6, aggregated across 3 databases.

Band Gap

1.73 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ge2K4Se6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic1.730.0000-3.9923.35
P-1 (No. 2)
2.49
P-1 (No. 2)
Uses

Applications

Where Ge2K4Se6 is used.

Photovoltaic researchOptoelectronic device developmentSemiconductor materials science
Reference

Frequently Asked Questions

Common questions about Ge2K4Se6, answered from cross-validated data.

What is Ge2K4Se6?

Ge2K4Se6 is a stable, semiconducting inorganic compound primarily used in research for its potential applications in advanced photovoltaic and optoelectronic technologies.

More questions
What is Ge2K4Se6 used for?
Ge2K4Se6 is used in photovoltaic research, optoelectronic device development, and semiconductor materials science.
What is the band gap of Ge2K4Se6?
Ge2K4Se6 has a DFT-computed band gap of 1.73 eV across 4 reported structures.
Is Ge2K4Se6 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is Ge2K4Se6 thermodynamically stable?
Yes — Ge2K4Se6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ge2K4Se6?
The lowest-energy reported polymorph of Ge2K4Se6 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Ge2K4Se6?
The computed density of the ground-state structure of Ge2K4Se6 is 3.35 g/cm³.
How many polymorphs of Ge2K4Se6 are known?
4 structures of Ge2K4Se6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ge2K4Se6 contain?
Ge2K4Se6 contains Ge, K, and Se (3 elements).
Where does the data for Ge2K4Se6 come from?
Ge2K4Se6 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Within the diverse class of halide perovskites and related materials, Ge2K4Se6 stands out for its thermodynamic stability compared to more volatile counterparts like CsSnI3. While many members of this class are halide-based, the inclusion of selenium provides a distinct electronic environment that differentiates it from the lead-halide systems such as CsPbBr3, offering a unique pathway for tuning semiconductor properties without relying on toxic heavy metals.

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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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