In1Pd2Zn1
In1Pd2Zn1 is a semiconducting ternary alloy containing indium, palladium, and zinc that is investigated for its potential in catalytic material science.
About In1Pd2Zn1
In1Pd2Zn1 is a semiconducting intermetallic compound belonging to the class of platinum-group alloy catalysts. Its electronic structure and composition make it a distinct candidate for research into surface-mediated chemical transformations where traditional metallic catalysts may be less efficient.
As a near-hull phase, this compound is considered likely to be synthesizable under standard laboratory conditions. Its structural characteristics, supported by multiple reported configurations, position it as a stable building block for exploring complex catalytic pathways in industrial chemistry.
Key Properties
Cross-validated computational properties for In1Pd2Zn1, 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 In1Pd2Zn1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0209 | -4.108 | 10.31 |
| Immm (No. 71) | orthorhombic | 0.16 | 1.7040 | -2.425 | 0.73 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where In1Pd2Zn1 is used.
Frequently Asked Questions
Common questions about In1Pd2Zn1, answered from cross-validated data.
What is In1Pd2Zn1?
In1Pd2Zn1 is a semiconducting ternary alloy containing indium, palladium, and zinc that is investigated for its potential in catalytic material science.
What is In1Pd2Zn1 used for?
What is the band gap of In1Pd2Zn1?
Is In1Pd2Zn1 a metal, semiconductor, or insulator?
Is In1Pd2Zn1 thermodynamically stable?
What is the crystal structure of In1Pd2Zn1?
What is the density of In1Pd2Zn1?
How many polymorphs of In1Pd2Zn1 are known?
What elements does In1Pd2Zn1 contain?
Where does the data for In1Pd2Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, In1Pd2Zn1 occupies a unique niche compared to more common binary systems like BaPd or GeRu. While many of its siblings are characterized by metallic behavior, the semiconducting nature of this ternary phase offers a distinct electronic environment that may allow for more precise control over reaction kinetics compared to the highly conductive IrSe2 or As2Pt.
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).
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