Ca2Mg2Zn4
Ca2Mg2Zn4 is a semimetallic ternary intermetallic compound that exhibits high structural complexity and thermodynamic metastability.
About Ca2Mg2Zn4
Ca2Mg2Zn4 is a multicomponent intermetallic compound composed of calcium, magnesium, and zinc. Its electronic structure exhibits semimetallic behavior, placing it in a unique regime where metallic and semiconducting properties converge. The material is notable for its significant structural complexity, as evidenced by the large number of reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize.
Key Properties
Cross-validated computational properties for Ca2Mg2Zn4, 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 Ca2Mg2Zn4, 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 | 0.08 | 1.4474 | -0.319 | 0.23 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where Ca2Mg2Zn4 is used.
Frequently Asked Questions
Common questions about Ca2Mg2Zn4, answered from cross-validated data.
What is Ca2Mg2Zn4?
Ca2Mg2Zn4 is a semimetallic ternary intermetallic compound that exhibits high structural complexity and thermodynamic metastability.
What is Ca2Mg2Zn4 used for?
What is the band gap of Ca2Mg2Zn4?
Is Ca2Mg2Zn4 a metal, semiconductor, or insulator?
Is Ca2Mg2Zn4 thermodynamically stable?
What is the crystal structure of Ca2Mg2Zn4?
What is the density of Ca2Mg2Zn4?
How many polymorphs of Ca2Mg2Zn4 are known?
What elements does Ca2Mg2Zn4 contain?
Where does the data for Ca2Mg2Zn4 come from?
How It Compares
As a member of the ternary calcium-magnesium-zinc system, this compound represents a specialized structural arrangement within a broader class of complex intermetallic phases. Unlike more stable, stoichiometric alloys, its position above the thermodynamic hull suggests it is a kinetically trapped or high-pressure phase that offers researchers a unique window into the structural diversity of zinc-rich ternary systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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