KAuSe2
KAuSe2 is a stable, semiconducting ternary compound containing potassium, gold, and selenium.
About KAuSe2
KAuSe2 is a ternary inorganic compound composed of potassium, gold, and selenium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural framework for further investigation.
Exhibiting semiconducting electronic character, this compound is of significant interest for researchers exploring the intersection of noble metal chemistry and chalcogenide semiconductors. Its existence in multiple reported structures highlights its versatility and the importance of its crystalline arrangement in determining its physical properties.
Key Properties
Cross-validated computational properties for KAuSe2, 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 KAuSe2, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.89 | 0.0000 | -3.666 | 5.88 |
| P1 (No. 1) | Triclinic | — | — | — | 5.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.32 |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
Applications
Where KAuSe2 is used.
Frequently Asked Questions
Common questions about KAuSe2, answered from cross-validated data.
What is KAuSe2?
KAuSe2 is a stable, semiconducting ternary compound containing potassium, gold, and selenium.
What is KAuSe2 used for?
What is the band gap of KAuSe2?
Is KAuSe2 a metal, semiconductor, or insulator?
Is KAuSe2 thermodynamically stable?
What is the crystal structure of KAuSe2?
What is the density of KAuSe2?
How many polymorphs of KAuSe2 are known?
What elements does KAuSe2 contain?
Where does the data for KAuSe2 come from?
How It Compares
As a distinct ternary selenide, KAuSe2 serves as a foundational example of how gold can be integrated into chalcogenide frameworks to achieve stable semiconducting behavior. While it stands as a unique entry in this chemical space, it provides a crucial reference point for understanding the stability and electronic trends of alkali-gold-chalcogenide systems.
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).
Analyze KAuSe2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →