AgI6K2Pr
AgI6K2Pr is a metastable, semiconducting halide perovskite material containing silver, iodine, potassium, and praseodymium.
About AgI6K2Pr
AgI6K2Pr is a complex halide perovskite characterized by its semiconducting electronic nature. As a multi-element system involving silver, iodine, potassium, and praseodymium, it represents an intriguing candidate for researchers investigating non-traditional perovskite architectures for optoelectronic applications.
Despite its metastable thermodynamic status, the compound has been documented in multiple structural configurations across various databases. Its unique composition makes it a subject of interest for those exploring the boundaries of halide perovskite stability and the potential for tuning electronic properties through rare-earth element integration.
Key Properties
Cross-validated computational properties for AgI6K2Pr, 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 AgI6K2Pr, 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 | 2.55 | 0.0966 | -3.267 | 3.89 |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.86 |
Applications
Where AgI6K2Pr is used.
Frequently Asked Questions
Common questions about AgI6K2Pr, answered from cross-validated data.
What is AgI6K2Pr?
AgI6K2Pr is a metastable, semiconducting halide perovskite material containing silver, iodine, potassium, and praseodymium.
What is AgI6K2Pr used for?
What is the band gap of AgI6K2Pr?
Is AgI6K2Pr a metal, semiconductor, or insulator?
Is AgI6K2Pr thermodynamically stable?
What is the crystal structure of AgI6K2Pr?
What is the density of AgI6K2Pr?
How many polymorphs of AgI6K2Pr are known?
What elements does AgI6K2Pr contain?
Where does the data for AgI6K2Pr come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse landscape of halide perovskite photovoltaics, AgI6K2Pr occupies a distinct niche compared to more conventional, highly stable systems like CsPbBr3. While CsPbBr3 serves as a benchmark for structural robustness and efficiency, AgI6K2Pr offers a more complex, metastable alternative that challenges standard design paradigms in the search for novel semiconductor materials.
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).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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