Ca2Cd1Hg1
Ca2Cd1Hg1 is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About Ca2Cd1Hg1
Ca2Cd1Hg1 is a ternary intermetallic compound characterized by its semiconducting electronic nature. As a material positioned near the thermodynamic hull, it is considered a promising candidate for experimental synthesis and further structural investigation.
Its unique composition of calcium, cadmium, and mercury places it in a specialized category of complex metallic phases. The material is of significant interest to researchers studying the interplay of heavy post-transition metals and alkaline earth elements in crystalline lattices.
Key Properties
Cross-validated computational properties for Ca2Cd1Hg1, 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 Ca2Cd1Hg1, 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 | 0.00 | 0.0033 | -1.759 | 6.02 |
| Immm (No. 71) | orthorhombic | 0.37 | 1.4064 | -0.356 | 0.40 |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Ca2Cd1Hg1 is used.
Frequently Asked Questions
Common questions about Ca2Cd1Hg1, answered from cross-validated data.
What is Ca2Cd1Hg1?
Ca2Cd1Hg1 is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is Ca2Cd1Hg1 used for?
What is the band gap of Ca2Cd1Hg1?
Is Ca2Cd1Hg1 a metal, semiconductor, or insulator?
Is Ca2Cd1Hg1 thermodynamically stable?
What is the crystal structure of Ca2Cd1Hg1?
What is the density of Ca2Cd1Hg1?
How many polymorphs of Ca2Cd1Hg1 are known?
What elements does Ca2Cd1Hg1 contain?
Where does the data for Ca2Cd1Hg1 come from?
How It Compares
As a unique ternary phase, Ca2Cd1Hg1 represents a distinct structural arrangement within its chemical family. While it currently stands as a singular entry without direct siblings in this specific dataset, its near-hull stability suggests it may serve as a foundational reference point for future studies into similar calcium-based intermetallic semiconductors.
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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