AuK2P
AuK2P is a stable semiconducting ternary compound composed of gold, potassium, and phosphorus.
About AuK2P
AuK2P is a ternary phosphide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of gold, potassium, and phosphorus atoms.
This material is of interest to researchers investigating complex pnictides and the interplay between noble metals and alkali elements. Its stability suggests potential for synthesis and further characterization in solid-state chemistry research.
Key Properties
Cross-validated computational properties for AuK2P, 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 AuK2P, 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 | 0.95 | 0.0000 | -18.502 | 4.53 |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 4.00 |
| — | — | — | — | — | 4.00 |
| — | — | — | — | — | 4.66 |
Frequently Asked Questions
Common questions about AuK2P, answered from cross-validated data.
What is AuK2P?
AuK2P is a stable semiconducting ternary compound composed of gold, potassium, and phosphorus.
What is the band gap of AuK2P?
Is AuK2P a metal, semiconductor, or insulator?
Is AuK2P thermodynamically stable?
What is the crystal structure of AuK2P?
What is the density of AuK2P?
How many polymorphs of AuK2P are known?
What elements does AuK2P contain?
Where does the data for AuK2P come from?
How It Compares
As a unique ternary phosphide, AuK2P occupies a distinct niche in materials science, serving as a reference point for understanding the bonding characteristics of gold-based pnictides.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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