MnZn3
MnZn3 is a stable metallic intermetallic compound formed from manganese and zinc.
About MnZn3
MnZn3 is a metallic intermetallic compound composed of manganese and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these transition metals, making it a subject of significant interest in structural materials research.
With extensive data available across multiple databases, this compound is well-documented in its various structural forms. Its metallic nature and stability suggest potential utility in specialized alloy development where precise control over intermetallic phases is required.
Key Properties
Cross-validated computational properties for MnZn3, aggregated across 6 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 MnZn3. 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 MnZn3, 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 | 0.0000 | -10.471 | 7.55 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0135 | -10.458 | 7.39 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0868 | -10.384 | 7.40 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1088 | -10.362 | 7.20 |
| — | — | — | — | — | 7.37 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.55 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.45 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 7.23 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.50 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.51 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.39 |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where MnZn3 is used.
Frequently Asked Questions
Common questions about MnZn3, answered from cross-validated data.
What is MnZn3?
MnZn3 is a stable metallic intermetallic compound formed from manganese and zinc.
What is MnZn3 used for?
What is the band gap of MnZn3?
Is MnZn3 a metal, semiconductor, or insulator?
Is MnZn3 thermodynamically stable?
What is the crystal structure of MnZn3?
What is the density of MnZn3?
How many polymorphs of MnZn3 are known?
What elements does MnZn3 contain?
Where does the data for MnZn3 come from?
How It Compares
As a standalone intermetallic compound in this context, MnZn3 serves as a primary example of stable manganese-zinc bonding, providing a baseline for understanding how these elements interact to form ordered, thermodynamically favored metallic phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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