Ba1Hg2K1
Ba1Hg2K1 is a semiconducting ternary intermetallic compound composed of barium, mercury, and potassium that exhibits metastable thermodynamic characteristics.
About Ba1Hg2K1
Ba1Hg2K1 is a complex ternary intermetallic compound composed of barium, mercury, and potassium. As a semiconducting material, it represents a unique intersection of alkaline earth metals, post-transition metals, and alkali metals, offering a distinct electronic profile compared to more common metallic alloys.
Due to its position above the thermodynamic hull, this compound is considered metastable, which makes it a subject of significant interest for researchers studying phase stability and synthesis pathways. Its existence across multiple reported structures highlights the structural complexity inherent in this specific elemental combination.
Key Properties
Cross-validated computational properties for Ba1Hg2K1, 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 Ba1Hg2K1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.16 | 0.9548 | -0.345 | 0.51 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba1Hg2K1, answered from cross-validated data.
What is Ba1Hg2K1?
Ba1Hg2K1 is a semiconducting ternary intermetallic compound composed of barium, mercury, and potassium that exhibits metastable thermodynamic characteristics.
What is the band gap of Ba1Hg2K1?
Is Ba1Hg2K1 a metal, semiconductor, or insulator?
Is Ba1Hg2K1 thermodynamically stable?
What is the crystal structure of Ba1Hg2K1?
What is the density of Ba1Hg2K1?
How many polymorphs of Ba1Hg2K1 are known?
What elements does Ba1Hg2K1 contain?
Where does the data for Ba1Hg2K1 come from?
How It Compares
As a unique ternary phase, Ba1Hg2K1 occupies a specialized niche in materials science, serving as a rare example of a semiconducting intermetallic that deviates from standard metallic bonding trends found in simpler binary systems.
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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