Ag1Hg2Sc1
Ag1Hg2Sc1 is a semimetallic ternary intermetallic compound containing silver, mercury, and scandium that exists in a metastable state.
About Ag1Hg2Sc1
Ag1Hg2Sc1 is a complex ternary intermetallic compound composed of silver, mercury, and scandium. Its electronic structure exhibits near-zero-gap behavior, placing it in the category of semimetallic materials that often demonstrate unique charge carrier dynamics.
Due to its position above the thermodynamic hull, this material is considered metastable, reflecting the intricate bonding environment created by the combination of transition and post-transition metals. Its existence within a diverse range of reported structural configurations highlights the structural flexibility inherent in this specific elemental combination.
Key Properties
Cross-validated computational properties for Ag1Hg2Sc1, 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 Ag1Hg2Sc1, 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 | 0.09 | 1.4147 | -31.707 | 0.76 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag1Hg2Sc1, answered from cross-validated data.
What is Ag1Hg2Sc1?
Ag1Hg2Sc1 is a semimetallic ternary intermetallic compound containing silver, mercury, and scandium that exists in a metastable state.
What is the band gap of Ag1Hg2Sc1?
Is Ag1Hg2Sc1 a metal, semiconductor, or insulator?
Is Ag1Hg2Sc1 thermodynamically stable?
What is the crystal structure of Ag1Hg2Sc1?
What is the density of Ag1Hg2Sc1?
How many polymorphs of Ag1Hg2Sc1 are known?
What elements does Ag1Hg2Sc1 contain?
Where does the data for Ag1Hg2Sc1 come from?
How It Compares
As a unique ternary phase, Ag1Hg2Sc1 represents a specialized case within intermetallic systems where the interplay between silver, mercury, and scandium leads to a semimetallic electronic character rather than a simple metallic or insulating state.
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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