BiI6K2Rb

This compound is a complex inorganic halide belonging to the class of bismuth-based perovskite-like materials. It is primarily studied in materials science research for its potential optoelectronic properties and as a candidate for sustainable semiconductor applications.

Crystal structure of BiI6K2Rb (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for BiI6K2Rb, aggregated across 3 databases.

Band Gap

2.70 eV
Range across DFT structures

Energy Above Hull

0.123 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for BiI6K2Rb, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic2.700.1234-2.8243.36
3.27
Uses

Applications

Where BiI6K2Rb is used.

Photovoltaic researchOptoelectronic device developmentSolid-state chemistry research
Reference

Frequently Asked Questions

Common questions about BiI6K2Rb, answered from cross-validated data.

What is BiI6K2Rb?

This compound is a complex inorganic halide belonging to the class of bismuth-based perovskite-like materials. It is primarily studied in materials science research for its potential optoelectronic properties and as a candidate for sustainable semiconductor applications.

More questions
What is BiI6K2Rb used for?
BiI6K2Rb is used in photovoltaic research, optoelectronic device development, and solid-state chemistry research.
What is the band gap of BiI6K2Rb?
BiI6K2Rb has a DFT-computed band gap of 2.70 eV across 3 reported structures.
Is BiI6K2Rb a metal, semiconductor, or insulator?
With a band gap up to 2.70 eV it is a semiconductor.
Is BiI6K2Rb thermodynamically stable?
BiI6K2Rb has a lowest energy above hull of 0.123 eV/atom (above hull).
What is the crystal structure of BiI6K2Rb?
The lowest-energy reported polymorph of BiI6K2Rb is cubic symmetry, space group Fm-3m (No. 225).
What is the density of BiI6K2Rb?
The computed density of the ground-state structure of BiI6K2Rb is 3.36 g/cm³.
How many polymorphs of BiI6K2Rb are known?
3 structures of BiI6K2Rb are reported across 3 databases, spanning 1 distinct space group.
What elements does BiI6K2Rb contain?
BiI6K2Rb contains Bi, I, K, and Rb (4 elements).
Where does the data for BiI6K2Rb come from?
BiI6K2Rb data is cross-referenced from materials_project, omat24, alexandria.
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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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • alexandria — Data from alexandria.

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