Ag2Hg1Sc1
Ag2Hg1Sc1 is a semiconducting ternary compound containing silver, mercury, and scandium that exists in a metastable state.
About Ag2Hg1Sc1
Ag2Hg1Sc1 is a complex ternary compound composed of silver, mercury, and scandium. It exhibits semiconducting electronic characteristics, placing it in a category of materials often investigated for their potential in specialized electronic or optoelectronic applications.
While this material has been documented with a significant number of structural variations across databases, it is identified as being thermodynamically unstable relative to its constituent elements. This suggests that while it can exist in specific configurations, it may require precise synthesis conditions to stabilize its crystalline form.
Key Properties
Cross-validated computational properties for Ag2Hg1Sc1, 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 Ag2Hg1Sc1, 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 | 0.17 | 1.5493 | -24.561 | 0.72 |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag2Hg1Sc1, answered from cross-validated data.
What is Ag2Hg1Sc1?
Ag2Hg1Sc1 is a semiconducting ternary compound containing silver, mercury, and scandium that exists in a metastable state.
What is the band gap of Ag2Hg1Sc1?
Is Ag2Hg1Sc1 a metal, semiconductor, or insulator?
Is Ag2Hg1Sc1 thermodynamically stable?
What is the crystal structure of Ag2Hg1Sc1?
What is the density of Ag2Hg1Sc1?
How many polymorphs of Ag2Hg1Sc1 are known?
What elements does Ag2Hg1Sc1 contain?
Where does the data for Ag2Hg1Sc1 come from?
How It Compares
As a unique ternary phase, Ag2Hg1Sc1 represents a distinct combination of transition and post-transition metals. Without direct structural siblings in this specific class, it serves as an intriguing case study for how the interplay of silver, mercury, and scandium influences electronic behavior in unconventional, metastable inorganic frameworks.
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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