Hg2Na1Sb1
Hg2Na1Sb1 is a semiconducting ternary compound characterized by its structural diversity and thermodynamic instability.

About Hg2Na1Sb1
Hg2Na1Sb1 is a complex ternary compound composed of mercury, sodium, and antimony. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, positioning it as a subject of interest for fundamental solid-state research.
Despite its status as a thermodynamically unstable phase located above the hull, this material has been documented across numerous structural configurations. This structural diversity suggests a complex energy landscape that continues to challenge current understanding of mercury-based intermetallic systems.
Key Properties
Cross-validated computational properties for Hg2Na1Sb1, 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 Hg2Na1Sb1, 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 | 0.7346 | -31.491 | 0.70 |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg2Na1Sb1, answered from cross-validated data.
What is Hg2Na1Sb1?
Hg2Na1Sb1 is a semiconducting ternary compound characterized by its structural diversity and thermodynamic instability.
What is the band gap of Hg2Na1Sb1?
Is Hg2Na1Sb1 a metal, semiconductor, or insulator?
Is Hg2Na1Sb1 thermodynamically stable?
What is the crystal structure of Hg2Na1Sb1?
What is the density of Hg2Na1Sb1?
How many polymorphs of Hg2Na1Sb1 are known?
What elements does Hg2Na1Sb1 contain?
Where does the data for Hg2Na1Sb1 come from?
How It Compares
As a unique ternary phase, Hg2Na1Sb1 represents a specialized case within the broader landscape of mercury-sodium-antimony intermetallics. Without direct structural siblings in this specific class, it serves as a distinct example of how mercury-rich systems can adopt semiconducting characteristics despite the inherent challenges to thermodynamic stability.
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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