Ca2SnHg
Ca2SnHg is a thermodynamically stable, semiconducting intermetallic compound composed of calcium, tin, and mercury.
About Ca2SnHg
Ca2SnHg is a distinct intermetallic compound that occupies a stable position on the thermodynamic convex hull. Its electronic character is defined as semiconducting, marking it as an intriguing candidate for specialized electronic applications where specific band structures are required. The material is characterized by its structural diversity, with multiple reported configurations across major materials databases. This structural flexibility suggests that the compound can be tuned or stabilized under various synthesis conditions, making it a subject of interest for researchers investigating complex ternary systems. Its stability ensures that it maintains its integrity, providing a reliable platform for studying the interplay between calcium, tin, and mercury in a solid-state lattice.
Key Properties
Cross-validated computational properties for Ca2SnHg, aggregated across 3 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 Ca2SnHg, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.15 | 0.0000 | -2.742 | 5.91 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.92 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.82 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.93 |
Applications
Where Ca2SnHg is used.
Frequently Asked Questions
Common questions about Ca2SnHg, answered from cross-validated data.
What is Ca2SnHg?
Ca2SnHg is a thermodynamically stable, semiconducting intermetallic compound composed of calcium, tin, and mercury.
What is Ca2SnHg used for?
What is the band gap of Ca2SnHg?
Is Ca2SnHg a metal, semiconductor, or insulator?
Is Ca2SnHg thermodynamically stable?
What is the crystal structure of Ca2SnHg?
What is the density of Ca2SnHg?
How many polymorphs of Ca2SnHg are known?
What elements does Ca2SnHg contain?
Where does the data for Ca2SnHg come from?
How It Compares
As a unique ternary intermetallic, Ca2SnHg stands as a distinct entry in the landscape of calcium-based semiconductors. Without direct structural siblings in this specific class, it serves as a foundational example of how mercury-containing ternary phases can achieve thermodynamic stability, offering a reference point for future exploration into similar heavy-metal alloy systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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