I12Rb4Sn4
I12Rb4Sn4 is a stable, semiconducting halide perovskite material used in advanced photovoltaic research.
About I12Rb4Sn4
I12Rb4Sn4 is a semiconducting halide perovskite that sits securely on the convex hull, indicating excellent thermodynamic stability. As a member of the halide perovskite family, it is primarily investigated for its potential in optoelectronic devices where structural integrity and electronic performance are critical for long-term reliability.
This compound serves as a significant subject for materials research, with multiple reported structures highlighting its structural versatility. Its role in the field is defined by the ongoing search for lead-free alternatives that maintain the high-efficiency characteristics required for modern photovoltaic applications.
Key Properties
Cross-validated computational properties for I12Rb4Sn4, 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 I12Rb4Sn4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.01 | 0.0000 | -3.065 | 4.50 |
| — | — | — | — | — | 4.14 |
| — | — | — | — | — | 4.21 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where I12Rb4Sn4 is used.
Frequently Asked Questions
Common questions about I12Rb4Sn4, answered from cross-validated data.
What is I12Rb4Sn4?
I12Rb4Sn4 is a stable, semiconducting halide perovskite material used in advanced photovoltaic research.
What is I12Rb4Sn4 used for?
What is the band gap of I12Rb4Sn4?
Is I12Rb4Sn4 a metal, semiconductor, or insulator?
Is I12Rb4Sn4 thermodynamically stable?
What is the crystal structure of I12Rb4Sn4?
What is the density of I12Rb4Sn4?
How many polymorphs of I12Rb4Sn4 are known?
What elements does I12Rb4Sn4 contain?
Where does the data for I12Rb4Sn4 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse landscape of halide perovskites, I12Rb4Sn4 distinguishes itself from siblings like CsSnI3 and Cs4I12Sn4 by its specific rubidium-based composition. While many members of this class are explored for their tunable band structures, I12Rb4Sn4 offers a unique structural configuration that contributes to the broader understanding of stability trends across tin-iodide perovskite systems.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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