BiCs2I6In
BiCs2I6In is a semiconducting halide perovskite derivative being researched as a stable, potentially non-toxic material for photovoltaic energy conversion.
About BiCs2I6In
BiCs2I6In is a complex halide perovskite derivative that exhibits semiconducting electronic behavior. Its structural framework, characterized by a mix of bismuth and indium, positions it as a subject of interest for researchers seeking alternatives to lead-based materials in optoelectronic devices. The compound is identified as being near-hull, suggesting it is a viable candidate for experimental synthesis and further characterization in laboratory settings. Its stability profile makes it a compelling study for those investigating the broader chemical space of halide perovskites beyond the standard lead-halide configurations. As a multi-element system, it offers unique opportunities to tune electronic properties through compositional engineering, which is critical for optimizing light-harvesting performance. Its role in the field is primarily focused on the development of stable, non-toxic, or low-toxicity materials that can maintain structural integrity while providing efficient charge transport.
Key Properties
Cross-validated computational properties for BiCs2I6In, 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 BiCs2I6In, 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 | 0.58 | 0.0074 | -2.905 | 4.37 |
| — | — | — | — | — | 3.80 |
| — | — | — | — | — | — |
Applications
Where BiCs2I6In is used.
Frequently Asked Questions
Common questions about BiCs2I6In, answered from cross-validated data.
What is BiCs2I6In?
BiCs2I6In is a semiconducting halide perovskite derivative being researched as a stable, potentially non-toxic material for photovoltaic energy conversion.
What is BiCs2I6In used for?
What is the band gap of BiCs2I6In?
Is BiCs2I6In a metal, semiconductor, or insulator?
Is BiCs2I6In thermodynamically stable?
What is the crystal structure of BiCs2I6In?
What is the density of BiCs2I6In?
How many polymorphs of BiCs2I6In are known?
What elements does BiCs2I6In contain?
Where does the data for BiCs2I6In come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the prototypical CsPbBr3, which is widely recognized for its high performance but contains toxic lead, BiCs2I6In represents an effort to explore more diverse elemental combinations within the halide perovskite class. While compounds like CsSnI3 are frequently studied for their favorable electronic properties, they often face significant stability challenges; BiCs2I6In is positioned as a more thermodynamically stable alternative that avoids some of the inherent volatility found in simpler tin-based or lead-based analogs.
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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