AsEuKS3
AsEuKS3 is a semiconducting quaternary sulfide compound that is predicted to be stable enough for experimental synthesis.
About AsEuKS3
AsEuKS3 is a complex quaternary sulfide compound containing arsenic, europium, potassium, and sulfur. It exhibits semiconducting electronic properties, positioning it as an interesting subject for research into specialized electronic and optical materials.
Due to its thermodynamic stability being near the convex hull, this material is considered likely to be synthesizable in a laboratory setting. Its structural complexity and composition make it a unique entry in the landscape of chalcogenide materials.
Key Properties
Cross-validated computational properties for AsEuKS3, 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 AsEuKS3. 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 AsEuKS3, 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 | 0.53 | 0.0014 | -6.125 | 3.75 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.99 |
Applications
Where AsEuKS3 is used.
Frequently Asked Questions
Common questions about AsEuKS3, answered from cross-validated data.
What is AsEuKS3?
AsEuKS3 is a semiconducting quaternary sulfide compound that is predicted to be stable enough for experimental synthesis.
What is AsEuKS3 used for?
What is the band gap of AsEuKS3?
Is AsEuKS3 a metal, semiconductor, or insulator?
Is AsEuKS3 thermodynamically stable?
What is the crystal structure of AsEuKS3?
What is the density of AsEuKS3?
How many polymorphs of AsEuKS3 are known?
What elements does AsEuKS3 contain?
Where does the data for AsEuKS3 come from?
How It Compares
As a quaternary sulfide, AsEuKS3 occupies a specialized niche within the broader family of chalcogenide semiconductors, where the inclusion of both rare-earth europium and alkali potassium allows for unique structural arrangements not found in simpler binary or ternary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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