Ag1Ba2Hg1
Ag1Ba2Hg1 is a semiconducting ternary intermetallic compound containing silver, barium, and mercury that exists as a metastable phase.
About Ag1Ba2Hg1
Ag1Ba2Hg1 is a complex intermetallic compound composed of silver, barium, and mercury. As a semiconducting material, it exhibits unique electronic properties that distinguish it from simple metallic alloys, though its thermodynamic profile suggests it is a metastable phase that sits above the ground-state energy hull.
Due to the presence of mercury, this compound requires careful handling and specialized synthesis conditions. It is primarily of interest to researchers investigating the structural diversity of ternary intermetallics, as evidenced by the significant number of reported structural variations documented for this specific stoichiometry.
Key Properties
Cross-validated computational properties for Ag1Ba2Hg1, 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 Ag1Ba2Hg1, 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 | 0.18 | 1.3459 | -0.805 | 0.53 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1Ba2Hg1 is used.
Frequently Asked Questions
Common questions about Ag1Ba2Hg1, answered from cross-validated data.
What is Ag1Ba2Hg1?
Ag1Ba2Hg1 is a semiconducting ternary intermetallic compound containing silver, barium, and mercury that exists as a metastable phase.
What is Ag1Ba2Hg1 used for?
What is the band gap of Ag1Ba2Hg1?
Is Ag1Ba2Hg1 a metal, semiconductor, or insulator?
Is Ag1Ba2Hg1 thermodynamically stable?
What is the crystal structure of Ag1Ba2Hg1?
What is the density of Ag1Ba2Hg1?
How many polymorphs of Ag1Ba2Hg1 are known?
What elements does Ag1Ba2Hg1 contain?
Where does the data for Ag1Ba2Hg1 come from?
How It Compares
As a unique ternary intermetallic, Ag1Ba2Hg1 occupies a distinct niche in materials science. Unlike more common, thermodynamically stable alloys, this compound is characterized by its metastable nature, representing a specialized structural arrangement that provides insight into the complex phase space of barium-based mercury 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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