As4K4Se8
As4K4Se8 is a stable, semiconducting inorganic compound composed of potassium, arsenic, and selenium.
About As4K4Se8
As4K4Se8 is a complex ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character identifies it as a semiconductor, making it a subject of interest for fundamental studies in solid-state chemistry and materials design. The compound is characterized by a robust structural framework that highlights the interplay between potassium cations and arsenic-selenium anionic networks. Given its stability and electronic properties, it serves as a valuable model system for understanding the synthesis and bonding behavior of alkali metal pnictogen chalcogenides. Research into this material contributes to the broader knowledge of how structural dimensionality influences the electronic landscape of complex inorganic solids.
Key Properties
Cross-validated computational properties for As4K4Se8, 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 As4K4Se8, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 1.60 | 0.0000 | -4.045 | 3.51 |
| — | — | — | — | — | 2.69 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
| — | — | — | — | — | 4.19 |
| Cc (No. 9) | — | — | — | — | — |
| — | — | — | — | — | 3.77 |
| — | — | — | — | — | 3.57 |
| — | — | — | — | — | 3.65 |
Applications
Where As4K4Se8 is used.
Frequently Asked Questions
Common questions about As4K4Se8, answered from cross-validated data.
What is As4K4Se8?
As4K4Se8 is a stable, semiconducting inorganic compound composed of potassium, arsenic, and selenium.
What is As4K4Se8 used for?
What is the band gap of As4K4Se8?
Is As4K4Se8 a metal, semiconductor, or insulator?
Is As4K4Se8 thermodynamically stable?
What is the crystal structure of As4K4Se8?
What is the density of As4K4Se8?
How many polymorphs of As4K4Se8 are known?
What elements does As4K4Se8 contain?
Where does the data for As4K4Se8 come from?
How It Compares
As a standalone entry in this specific compositional space, As4K4Se8 represents a stable reference point for exploring the potential of alkali-arsenic-selenium compounds. Its position on the convex hull distinguishes it as a highly favorable configuration, providing a baseline for investigating how variations in stoichiometry or elemental substitution might alter the semiconducting behavior of similar chalcogenide frameworks.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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