AgAsK2
AgAsK2 is a stable, semiconducting inorganic compound being investigated for its potential roles in advanced photovoltaic and semiconductor technologies.
About AgAsK2
AgAsK2 is a semiconducting material characterized by its position on the thermodynamic convex hull, indicating robust stability. As a member of the broader perovskite-related family, it represents a unique structural arrangement of silver, arsenic, and potassium that is of significant interest for electronic applications.
Its electronic properties make it a subject of ongoing research for next-generation energy conversion technologies. The structural diversity of this compound, supported by multiple documented configurations, highlights its versatility as a candidate for specialized photovoltaic and semiconductor research.
Key Properties
Cross-validated computational properties for AgAsK2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AgAsK2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AgAsK2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.07 | 0.0000 | -2.828 | 3.64 |
| — | — | — | — | — | 3.56 |
| — | — | — | — | — | 3.08 |
| No. 0 | unknown | — | — | — | 0.65 |
| — | — | — | — | — | 3.56 |
Applications
Where AgAsK2 is used.
Frequently Asked Questions
Common questions about AgAsK2, answered from cross-validated data.
What is AgAsK2?
AgAsK2 is a stable, semiconducting inorganic compound being investigated for its potential roles in advanced photovoltaic and semiconductor technologies.
What is AgAsK2 used for?
What is the band gap of AgAsK2?
Is AgAsK2 a metal, semiconductor, or insulator?
Is AgAsK2 thermodynamically stable?
What is the crystal structure of AgAsK2?
What is the density of AgAsK2?
How many polymorphs of AgAsK2 are known?
What elements does AgAsK2 contain?
Where does the data for AgAsK2 come from?
How It Compares
Within the halide perovskite photovoltaics class.
While many members of the halide perovskite class, such as CsPbBr3 and CsSnI3, are widely recognized for their high-efficiency light-harvesting capabilities, AgAsK2 offers a distinct compositional profile. Unlike the lead-based or tin-based halides that dominate the field, this compound explores alternative elemental combinations that may provide different stability or electronic tuning advantages in the quest for non-toxic or more durable photovoltaic 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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