K2AgF4
K2AgF4 is a thermodynamically stable semiconducting halide perovskite used in materials science research for optoelectronic applications.
About K2AgF4
K2AgF4 is a semiconducting halide perovskite that occupies a stable position on the convex hull. This thermodynamic stability makes it a compelling candidate for fundamental research into the structural diversity of halide-based materials, supported by its well-documented presence across multiple crystallographic databases. Its unique composition of silver, potassium, and fluorine allows for distinct electronic behavior compared to traditional lead-based systems.
As a member of the halide perovskite class, this material is of significant interest for its potential in next-generation photovoltaic and optoelectronic applications. By leveraging its semiconducting nature, researchers aim to explore new pathways for efficient light harvesting and charge transport, contributing to the broader development of stable, non-toxic alternatives in the field of semiconductor technology.
Key Properties
Cross-validated computational properties for K2AgF4, 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 K2AgF4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.61 | 0.0000 | -4.170 | 3.60 |
| P21/c (No. 14) | monoclinic | 0.59 | 0.0103 | -4.159 | 3.51 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0145 | -4.155 | 3.35 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.34 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.51 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.51 |
| P21/c (No. 14) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.52 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.50 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.35 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where K2AgF4 is used.
Frequently Asked Questions
Common questions about K2AgF4, answered from cross-validated data.
What is K2AgF4?
K2AgF4 is a thermodynamically stable semiconducting halide perovskite used in materials science research for optoelectronic applications.
What is K2AgF4 used for?
What is the band gap of K2AgF4?
Is K2AgF4 a metal, semiconductor, or insulator?
Is K2AgF4 thermodynamically stable?
What is the crystal structure of K2AgF4?
What is the density of K2AgF4?
How many polymorphs of K2AgF4 are known?
What elements does K2AgF4 contain?
Where does the data for K2AgF4 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse family of halide perovskites, K2AgF4 distinguishes itself from common lead-based counterparts like CsPbBr3 and CsSnI3 by utilizing silver as a central cation. While many members of this class are investigated primarily for their high-performance solar cell efficiency, K2AgF4 provides a stable structural reference point that helps researchers understand the stability limits and electronic modulation possible within the broader halide perovskite framework.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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