Al1Be1Pt2

Al1Be1Pt2 is a semiconducting intermetallic alloy composed of aluminum, beryllium, and platinum, primarily studied for its structural properties within the platinum-group catalyst class.

Crystal structure of Al1Be1Pt2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Al1Be1Pt2

Al1Be1Pt2 is a specialized intermetallic compound within the platinum-group alloy catalyst class. Characterized by its semiconducting electronic behavior, it represents a complex arrangement of aluminum, beryllium, and platinum atoms that has been documented across multiple structural configurations. While it sits above the thermodynamic hull, suggesting potential instability under standard conditions, its existence in structural databases highlights its interest in fundamental materials research. It serves as a subject of study for understanding how light elements like beryllium modulate the electronic properties of heavy platinum-group metal frameworks.

At a glance

Key Properties

Cross-validated computational properties for Al1Be1Pt2, aggregated across 2 databases.

Band Gap

1.47 eV
Range across DFT structures

Energy Above Hull

2.398 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al1Be1Pt2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic1.472.3980-3.2671.07
C2/m (No. 12)
Imm2 (No. 44)
Pmm2 (No. 25)
P4mm (No. 99)
Pm (No. 6)
F-43m (No. 216)
P4mm (No. 99)
P4/mmm (No. 123)
R-3m (No. 166)
Pmmm (No. 47)
P4/mmm (No. 123)
Uses

Applications

Where Al1Be1Pt2 is used.

Fundamental materials science researchCatalytic mechanism studiesElectronic structure modeling
Reference

Frequently Asked Questions

Common questions about Al1Be1Pt2, answered from cross-validated data.

What is Al1Be1Pt2?

Al1Be1Pt2 is a semiconducting intermetallic alloy composed of aluminum, beryllium, and platinum, primarily studied for its structural properties within the platinum-group catalyst class.

More questions
What is Al1Be1Pt2 used for?
Al1Be1Pt2 is used in fundamental materials science research, catalytic mechanism studies, and electronic structure modeling.
What is the band gap of Al1Be1Pt2?
Al1Be1Pt2 has a DFT-computed band gap of 1.47 eV across 27 reported structures.
Is Al1Be1Pt2 a metal, semiconductor, or insulator?
With a band gap up to 1.47 eV it is a semiconductor.
Is Al1Be1Pt2 thermodynamically stable?
Al1Be1Pt2 has a lowest energy above hull of 2.398 eV/atom (above hull).
What is the crystal structure of Al1Be1Pt2?
The lowest-energy reported polymorph of Al1Be1Pt2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Al1Be1Pt2?
The computed density of the ground-state structure of Al1Be1Pt2 is 1.07 g/cm³.
How many polymorphs of Al1Be1Pt2 are known?
27 structures of Al1Be1Pt2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Al1Be1Pt2 contain?
Al1Be1Pt2 contains Al, Be, and Pt (3 elements).
Where does the data for Al1Be1Pt2 come from?
Al1Be1Pt2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloys, Al1Be1Pt2 occupies a distinct niche compared to more stable, well-characterized siblings like As2Pt or GeRu. While many members of this class exhibit metallic conductivity, Al1Be1Pt2 stands out for its semiconducting nature, reflecting the unique influence of its specific elemental composition on its electronic structure.

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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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