CaMg5
CaMg5 is a metastable, semiconducting intermetallic compound composed of calcium and magnesium that is frequently studied for its structural complexity.
About CaMg5
CaMg5 is a metastable intermetallic compound composed of calcium and magnesium. As a semiconducting material, it represents a specialized niche in binary alloy systems, drawing interest for its distinct electronic behavior and structural complexity. Its formation is characterized by a delicate balance of atomic interactions that result in a metastable state under ambient conditions. Researchers study this compound to understand the fundamental physics governing its electronic properties and the structural arrangements that emerge within the calcium-magnesium phase space. Given the significant number of reported structural variations, it serves as a compelling subject for those investigating phase stability and crystal engineering in metal-rich systems.
Key Properties
Cross-validated computational properties for CaMg5, aggregated across 4 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 CaMg5, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.00 | 0.0471 | -4.659 | 1.75 |
| R32 (No. 155) | trigonal | 0.00 | 0.0763 | -4.630 | 1.72 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0873 | -4.619 | 1.74 |
| Amm2 (No. 38) | orthorhombic | 0.72 | 0.0876 | -4.619 | 1.73 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1510 | -4.555 | 1.73 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 1.74 |
| P-62m (No. 189) | Hexagonal | — | — | — | 1.76 |
| P-62m (No. 189) | Hexagonal | — | — | — | 1.77 |
| P-62m (No. 189) | Hexagonal | — | — | — | 1.79 |
| R32 (No. 155) | Trigonal | — | — | — | 1.74 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 1.76 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.76 |
Applications
Where CaMg5 is used.
Frequently Asked Questions
Common questions about CaMg5, answered from cross-validated data.
What is CaMg5?
CaMg5 is a metastable, semiconducting intermetallic compound composed of calcium and magnesium that is frequently studied for its structural complexity.
What is CaMg5 used for?
What is the band gap of CaMg5?
Is CaMg5 a metal, semiconductor, or insulator?
Is CaMg5 thermodynamically stable?
What is the crystal structure of CaMg5?
What is the density of CaMg5?
How many polymorphs of CaMg5 are known?
What elements does CaMg5 contain?
Where does the data for CaMg5 come from?
How It Compares
As a unique binary intermetallic, CaMg5 occupies a distinct position in materials science where its metastability and semiconducting nature set it apart from more common, highly stable metallic alloys. It serves as a primary example of how specific stoichiometry can lead to complex structural diversity in simple alkaline earth and alkaline earth-like systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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