Mg1Pd2Tl1
Mg1Pd2Tl1 is a semiconducting ternary alloy containing magnesium, palladium, and thallium that is studied for its unique structural and electronic properties.
About Mg1Pd2Tl1
Mg1Pd2Tl1 is a specialized ternary alloy composed of magnesium, palladium, and thallium. As a member of the platinum-group alloy catalyst family, it exhibits semiconducting electronic characteristics that distinguish it from purely metallic conductors in this group.
While this compound has been identified in structural databases, its position above the thermodynamic hull suggests it is a metastable phase. Its existence in multiple reported structures highlights the complex phase space often associated with these multi-element catalytic materials.
Key Properties
Cross-validated computational properties for Mg1Pd2Tl1, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for Mg1Pd2Tl1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.15 | 1.6354 | -2.410 | 0.74 |
| R-3m (No. 166) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Mg1Pd2Tl1 is used.
Frequently Asked Questions
Common questions about Mg1Pd2Tl1, answered from cross-validated data.
What is Mg1Pd2Tl1?
Mg1Pd2Tl1 is a semiconducting ternary alloy containing magnesium, palladium, and thallium that is studied for its unique structural and electronic properties.
What is Mg1Pd2Tl1 used for?
What is the band gap of Mg1Pd2Tl1?
Is Mg1Pd2Tl1 a metal, semiconductor, or insulator?
Is Mg1Pd2Tl1 thermodynamically stable?
What is the crystal structure of Mg1Pd2Tl1?
What is the density of Mg1Pd2Tl1?
How many polymorphs of Mg1Pd2Tl1 are known?
What elements does Mg1Pd2Tl1 contain?
Where does the data for Mg1Pd2Tl1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or common platinum-group catalysts such as As2Pt or GeRu, Mg1Pd2Tl1 occupies a less stable region of the phase diagram. While siblings like BaPd or LaRh often form more robust crystalline lattices, this compound represents a more exotic, metastable configuration within the broader landscape of palladium-based alloys.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Mg1Pd2Tl1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →