Ca2Hg1Mg1
Ca2Hg1Mg1 is a semiconducting ternary intermetallic compound that exists as a metastable phase.
About Ca2Hg1Mg1
Ca2Hg1Mg1 is a complex ternary intermetallic compound characterized by its semiconducting electronic nature. As a material that sits above the thermodynamic hull, it represents a metastable phase of interest for researchers investigating the limits of chemical bonding in calcium-mercury-magnesium systems.
Its structural complexity is highlighted by the significant number of reported configurations found in materials databases. Understanding the formation and stability of such compounds is essential for advancing the synthesis of specialized alloys and exploring unique electronic properties in non-equilibrium phases.
Key Properties
Cross-validated computational properties for Ca2Hg1Mg1, 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 Ca2Hg1Mg1, 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 | 0.28 | 1.4609 | -0.353 | 0.32 |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Ca2Hg1Mg1 is used.
Frequently Asked Questions
Common questions about Ca2Hg1Mg1, answered from cross-validated data.
What is Ca2Hg1Mg1?
Ca2Hg1Mg1 is a semiconducting ternary intermetallic compound that exists as a metastable phase.
What is Ca2Hg1Mg1 used for?
What is the band gap of Ca2Hg1Mg1?
Is Ca2Hg1Mg1 a metal, semiconductor, or insulator?
Is Ca2Hg1Mg1 thermodynamically stable?
What is the crystal structure of Ca2Hg1Mg1?
What is the density of Ca2Hg1Mg1?
How many polymorphs of Ca2Hg1Mg1 are known?
What elements does Ca2Hg1Mg1 contain?
Where does the data for Ca2Hg1Mg1 come from?
How It Compares
As a unique ternary phase, Ca2Hg1Mg1 occupies a distinct niche in materials science where the interplay between alkaline earth metals and mercury creates complex structural landscapes. Unlike more stable, simple binary alloys, this compound serves as a case study for the challenges of stabilizing ternary intermetallics in the solid 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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