MnZn
MnZn is a metastable metallic compound composed of manganese and zinc that exhibits a high degree of structural diversity.
About MnZn
MnZn is a metallic binary compound formed from manganese and zinc. As a metastable phase, it represents a complex structural system that highlights the intricate phase relationships between transition metals and post-transition metals.
Its significance lies in the extensive structural variability observed across multiple databases, making it a subject of interest for researchers studying alloy formation and phase stability. The compound's metallic nature underscores its potential role in fundamental studies of intermetallic bonding.
Key Properties
Cross-validated computational properties for MnZn, 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 MnZn. 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 MnZn, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0832 | -11.792 | 7.41 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1882 | -11.687 | 7.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.96 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.57 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.54 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 7.17 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.01 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.17 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.32 |
| P4mm (No. 99) | Tetragonal | — | — | — | 6.49 |
| No. 0 | unknown | — | — | — | 6.91 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnZn.
Applications
Where MnZn is used.
Frequently Asked Questions
Common questions about MnZn, answered from cross-validated data.
What is MnZn?
MnZn is a metastable metallic compound composed of manganese and zinc that exhibits a high degree of structural diversity.
What is MnZn used for?
What is the band gap of MnZn?
Is MnZn a metal, semiconductor, or insulator?
Is MnZn thermodynamically stable?
What is the crystal structure of MnZn?
What is the density of MnZn?
How many polymorphs of MnZn are known?
How is MnZn synthesized?
What elements does MnZn contain?
Where does the data for MnZn come from?
How It Compares
As a metastable intermetallic compound, MnZn serves as a representative example of the structural complexity found in manganese-zinc systems, where multiple configurations can exist despite the thermodynamic preference for other phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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