MgZn2
Magnesium dizincide · Laves phase MgZn2
Magnesium dizincide is a stable, metallic intermetallic compound widely studied for its role in the development of advanced magnesium-based alloys.
About Magnesium dizincide
Magnesium dizincide is a metallic intermetallic compound that occupies a prominent position in materials science due to its robust thermodynamic stability. As a member of the Laves phase family, it exhibits a well-defined crystal structure that has been extensively documented across numerous structural databases. Its metallic nature and structural integrity make it a fundamental subject for understanding phase formation in binary alloy systems. The compound is frequently utilized in metallurgical research to explore the mechanical and chemical properties of magnesium-zinc systems. Its stability on the convex hull ensures that it is a persistent phase, providing a reliable baseline for studies into high-strength lightweight alloys and advanced material synthesis.
Key Properties
Cross-validated computational properties for Magnesium dizincide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgZn2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgZn2, 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 | 0.0000 | -1.514 | 5.34 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0076 | -1.506 | 5.33 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0733 | -1.441 | 5.05 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0803 | -1.434 | 5.01 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0921 | -1.422 | 5.04 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1057 | -1.408 | 5.12 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1095 | -1.404 | 4.94 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1191 | -1.395 | 5.29 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.1218 | -1.392 | 5.04 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1275 | -1.386 | 4.95 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1310 | -1.383 | 5.00 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1342 | -1.380 | 4.92 |
Applications
Where Magnesium dizincide is used.
Frequently Asked Questions
Common questions about Magnesium dizincide, answered from cross-validated data.
What is MgZn2?
Magnesium dizincide is a stable, metallic intermetallic compound widely studied for its role in the development of advanced magnesium-based alloys.
What is MgZn2 used for?
What is the band gap of MgZn2?
Is MgZn2 a metal, semiconductor, or insulator?
Is MgZn2 thermodynamically stable?
What is the crystal structure of MgZn2?
What is the density of MgZn2?
How many polymorphs of MgZn2 are known?
What elements does MgZn2 contain?
Where does the data for MgZn2 come from?
How It Compares
As a classic representative of the Laves phase structural type, this compound serves as a benchmark for the study of intermetallic stability and phase behavior. It is widely recognized for its structural complexity and the ease with which it can be characterized, making it a primary reference point for researchers investigating the interplay between atomic packing and thermodynamic equilibrium in metallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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