MgPt2
MgPt2 is a metallic, metastable intermetallic alloy composed of magnesium and platinum that is studied for its potential catalytic properties.
About MgPt2
MgPt2 is a metallic intermetallic compound within the platinum-group alloy catalyst class. Its electronic structure is characterized by a lack of a band gap, reflecting its inherently metallic nature which is essential for its potential role in catalytic surface reactions.
Despite being classified as a metastable phase, the compound exhibits significant structural complexity, as evidenced by the numerous reported structures found across materials databases. This structural variety makes it a subject of interest for researchers investigating the relationship between atomic arrangement and catalytic performance.
Key Properties
Cross-validated computational properties for MgPt2, 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 MgPt2. 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 MgPt2, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.00 | 0.0393 | -5.164 | 14.87 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0528 | -5.150 | 14.36 |
| C2/c (No. 15) | Monoclinic | — | — | — | 9.72 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 12.77 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 12.79 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 11.34 |
| P-62m (No. 189) | Hexagonal | — | — | — | 14.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 14.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.36 |
| P2/c (No. 13) | Monoclinic | — | — | — | 11.94 |
| P2/c (No. 13) | Monoclinic | — | — | — | 11.28 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.18 |
Applications
Where MgPt2 is used.
Frequently Asked Questions
Common questions about MgPt2, answered from cross-validated data.
What is MgPt2?
MgPt2 is a metallic, metastable intermetallic alloy composed of magnesium and platinum that is studied for its potential catalytic properties.
What is MgPt2 used for?
What is the band gap of MgPt2?
Is MgPt2 a metal, semiconductor, or insulator?
Is MgPt2 thermodynamically stable?
What is the crystal structure of MgPt2?
What is the density of MgPt2?
How many polymorphs of MgPt2 are known?
What elements does MgPt2 contain?
Where does the data for MgPt2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or common platinum-group alloys such as As2Pt or Ga2Ru, MgPt2 exists in a metastable state, which presents unique challenges and opportunities for synthesis and phase control. While many of its class members are studied for their robust stability in extreme environments, the metastable nature of MgPt2 suggests it may offer distinct surface reactivity profiles compared to its more thermodynamically favored counterparts.
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.
- 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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