Ca1Hg2Na1
Ca1Hg2Na1 is a semiconducting ternary intermetallic compound that exists as a metastable phase.
About Ca1Hg2Na1
Ca1Hg2Na1 is a complex ternary intermetallic compound composed of calcium, mercury, and sodium. As a semiconducting material, it occupies a unique position in solid-state chemistry, characterized by a structural landscape that has been documented across multiple configurations in materials databases.
Despite its documented structural diversity, this compound is considered thermodynamically metastable, residing above the ground-state hull. Its existence as a semiconducting phase within this specific elemental combination makes it a subject of interest for researchers investigating the boundaries of phase stability in ternary systems.
Key Properties
Cross-validated computational properties for Ca1Hg2Na1, 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 Ca1Hg2Na1, 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 | 0.19 | 0.9779 | -26.788 | 0.59 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ca1Hg2Na1, answered from cross-validated data.
What is Ca1Hg2Na1?
Ca1Hg2Na1 is a semiconducting ternary intermetallic compound that exists as a metastable phase.
What is the band gap of Ca1Hg2Na1?
Is Ca1Hg2Na1 a metal, semiconductor, or insulator?
Is Ca1Hg2Na1 thermodynamically stable?
What is the crystal structure of Ca1Hg2Na1?
What is the density of Ca1Hg2Na1?
How many polymorphs of Ca1Hg2Na1 are known?
What elements does Ca1Hg2Na1 contain?
Where does the data for Ca1Hg2Na1 come from?
How It Compares
As a unique ternary phase, Ca1Hg2Na1 functions as a specialized material within the broader context of alkali-alkaline earth-mercury systems. Unlike more common, highly stable intermetallic alloys, this compound represents a more exotic, metastable configuration that highlights the delicate balance of atomic interactions required to stabilize such complex electronic structures.
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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