Ag6Rb2Se4
Ag6Rb2Se4 is a thermodynamically stable, semimetallic quaternary compound belonging to the broader family of perovskite-related materials.
About Ag6Rb2Se4
Ag6Rb2Se4 is a complex quaternary chalcogenide that sits on the convex hull, indicating significant thermodynamic stability. Its electronic character is defined by a near-zero-gap structure, placing it in the semimetallic regime rather than the traditional wide-gap insulator category often associated with standard perovskite photovoltaics.
This material is of interest to researchers exploring non-traditional perovskite-like architectures. By incorporating silver and rubidium into a selenium-based framework, it offers a distinct electronic environment that diverges from the typical halide-based systems used in high-efficiency solar cells.
Key Properties
Cross-validated computational properties for Ag6Rb2Se4, 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 Ag6Rb2Se4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.06 | 0.0000 | -3.323 | 6.25 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 3.77 |
Applications
Where Ag6Rb2Se4 is used.
Frequently Asked Questions
Common questions about Ag6Rb2Se4, answered from cross-validated data.
What is Ag6Rb2Se4?
Ag6Rb2Se4 is a thermodynamically stable, semimetallic quaternary compound belonging to the broader family of perovskite-related materials.
What is Ag6Rb2Se4 used for?
What is the band gap of Ag6Rb2Se4?
Is Ag6Rb2Se4 a metal, semiconductor, or insulator?
Is Ag6Rb2Se4 thermodynamically stable?
What is the crystal structure of Ag6Rb2Se4?
What is the density of Ag6Rb2Se4?
How many polymorphs of Ag6Rb2Se4 are known?
What elements does Ag6Rb2Se4 contain?
Where does the data for Ag6Rb2Se4 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the prototypical halide perovskite CsPbBr3, which acts as a wide-gap semiconductor, Ag6Rb2Se4 exhibits semimetallic behavior. While many members of this class, such as CsSnI3 or RbPbF3, are investigated for their tunable band gaps, this compound is notable for its stability and its departure from the insulating characteristics common to many other perovskite-related structures.
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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