MnPt
MnPt is a thermodynamically stable metallic alloy composed of manganese and platinum, frequently studied for its catalytic potential.
About MnPt
MnPt is a metallic platinum-group alloy that occupies a stable position on the convex hull, indicating robust thermodynamic favorability. Its composition combines the catalytic versatility of platinum with the magnetic and structural characteristics of manganese, making it a significant subject for materials research.
As a member of the platinum-group alloy class, this compound is primarily investigated for its potential in high-performance catalytic processes. Its structural stability across numerous reported configurations underscores its reliability as a candidate for demanding chemical environments.
Key Properties
Cross-validated computational properties for MnPt, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MnPt. 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 MnPt, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -7.963 | 13.81 |
| R-3m (No. 166) | trigonal | 0.00 | 0.3385 | -7.624 | 15.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.12 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 14.05 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.80 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 13.83 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.44 |
| Cm (No. 8) | Monoclinic | — | — | — | 13.70 |
| P21/c (No. 14) | Monoclinic | — | — | — | 12.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.42 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.29 |
Applications
Where MnPt is used.
Frequently Asked Questions
Common questions about MnPt, answered from cross-validated data.
What is MnPt?
MnPt is a thermodynamically stable metallic alloy composed of manganese and platinum, frequently studied for its catalytic potential.
What is MnPt used for?
What is the band gap of MnPt?
Is MnPt a metal, semiconductor, or insulator?
Is MnPt thermodynamically stable?
What is the crystal structure of MnPt?
What is the density of MnPt?
How many polymorphs of MnPt are known?
What elements does MnPt contain?
Where does the data for MnPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more complex binary systems such as As2Pt or Ga2Ru, MnPt maintains a relatively simple stoichiometric balance that facilitates precise control over its metallic properties, positioning it as a foundational alloy compared to the more diverse structural arrangements seen in siblings like IrSe2.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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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