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.

Key Properties
Cross-validated computational properties for BiI6K2Rb, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for BiI6K2Rb, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.70 | 0.1234 | -2.824 | 3.36 |
| — | — | — | — | — | 3.27 |
| — | — | — | — | — | — |
Applications
Where BiI6K2Rb is used.
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.
What is BiI6K2Rb used for?
What is the band gap of BiI6K2Rb?
Is BiI6K2Rb a metal, semiconductor, or insulator?
Is BiI6K2Rb thermodynamically stable?
What is the crystal structure of BiI6K2Rb?
What is the density of BiI6K2Rb?
How many polymorphs of BiI6K2Rb are known?
What elements does BiI6K2Rb contain?
Where does the data for BiI6K2Rb come from?
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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