MgZn3
MgZn3 is a metastable metallic intermetallic compound formed from magnesium and zinc that exhibits significant structural diversity.
About MgZn3
MgZn3 is a metallic intermetallic compound composed of magnesium and zinc. As a metastable phase, it represents a specific configuration of these elements that exists within a complex landscape of potential structural arrangements, as evidenced by the high number of reported structures across various databases.
This material is of significant interest in materials science due to its metallic electronic character and its role in understanding the phase stability of magnesium-zinc alloys. Its existence as a metastable phase makes it a subject of ongoing investigation for researchers looking to optimize alloy properties through controlled structural transitions.
Key Properties
Cross-validated computational properties for MgZn3, aggregated across 5 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 MgZn3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0411 | -1.410 | 5.89 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0520 | -1.399 | 5.87 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0717 | -1.380 | 5.55 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0854 | -1.366 | 5.50 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.0858 | -1.366 | 5.53 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1181 | -1.333 | 5.43 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.79 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.61 |
| — | — | — | — | — | 5.49 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.50 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.84 |
Applications
Where MgZn3 is used.
Frequently Asked Questions
Common questions about MgZn3, answered from cross-validated data.
What is MgZn3?
MgZn3 is a metastable metallic intermetallic compound formed from magnesium and zinc that exhibits significant structural diversity.
What is MgZn3 used for?
What is the band gap of MgZn3?
Is MgZn3 a metal, semiconductor, or insulator?
Is MgZn3 thermodynamically stable?
What is the crystal structure of MgZn3?
What is the density of MgZn3?
How many polymorphs of MgZn3 are known?
What elements does MgZn3 contain?
Where does the data for MgZn3 come from?
How It Compares
As a metastable magnesium-zinc intermetallic, MgZn3 occupies a unique position in the binary phase space. While it does not belong to a strictly defined class of compounds, its structural complexity and metallic nature make it a critical reference point for understanding how magnesium and zinc interact to form diverse, non-equilibrium phases.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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