Au1Bi1K2
Au1Bi1K2 is a thermodynamically stable semiconducting intermetallic compound composed of gold, bismuth, and potassium.
About Au1Bi1K2
Au1Bi1K2 is a semiconducting compound characterized by its thermodynamic stability on the convex hull. As a member of a structurally diverse class of materials, it represents a unique arrangement of gold, bismuth, and potassium that contributes to the expanding library of complex inorganic phases. Its structural integrity makes it a subject of interest for researchers investigating the fundamental properties of ternary intermetallics.
The material is part of a significant collection of reported structures, highlighting its role in the study of electronic and structural trends. By providing a stable configuration for these specific elements, Au1Bi1K2 serves as a valuable reference point for understanding the stability limits and phase behavior of similar ternary systems in solid-state chemistry.
Key Properties
Cross-validated computational properties for Au1Bi1K2, aggregated across 2 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 Au1Bi1K2, 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 | 0.87 | 0.0000 | -30.801 | 5.66 |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au1Bi1K2, answered from cross-validated data.
What is Au1Bi1K2?
Au1Bi1K2 is a thermodynamically stable semiconducting intermetallic compound composed of gold, bismuth, and potassium.
What is the band gap of Au1Bi1K2?
Is Au1Bi1K2 a metal, semiconductor, or insulator?
Is Au1Bi1K2 thermodynamically stable?
What is the crystal structure of Au1Bi1K2?
What is the density of Au1Bi1K2?
How many polymorphs of Au1Bi1K2 are known?
What elements does Au1Bi1K2 contain?
Where does the data for Au1Bi1K2 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the halide-based perovskites such as CsPbBr3 or CsSnI3, which are widely researched for their optoelectronic capabilities, Au1Bi1K2 represents a distinct intermetallic approach to structural complexity. While its siblings often focus on halide frameworks for photovoltaics, this compound occupies a different chemical space, emphasizing thermodynamic stability within its specific elemental composition rather than the traditional halide-perovskite architecture.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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