Cu1Li2Pd1

This is a ternary intermetallic compound composed of copper, lithium, and palladium. It is primarily studied in materials science research for its structural properties and potential behavior in solid-state chemistry.

Crystal structure of Cu1Li2Pd1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cu1Li2Pd1, aggregated across 2 databases.

Band Gap

0.49 eV
Range across DFT structures

Energy Above Hull

1.555 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 Cu1Li2Pd1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.491.5552-8.3600.42
R-3m (No. 166)
P4/mmm (No. 123)
I-4m2 (No. 119)
Cmmm (No. 65)
Cm (No. 8)
P2/m (No. 10)
Pmmm (No. 47)
P4/mmm (No. 123)
Imm2 (No. 44)
C2/m (No. 12)
Pmmm (No. 47)
Uses

Applications

Where Cu1Li2Pd1 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Cu1Li2Pd1, answered from cross-validated data.

What is Cu1Li2Pd1?

This is a ternary intermetallic compound composed of copper, lithium, and palladium. It is primarily studied in materials science research for its structural properties and potential behavior in solid-state chemistry.

More questions
What is Cu1Li2Pd1 used for?
Cu1Li2Pd1 is used in materials science research and solid-state chemistry studies.
What is the band gap of Cu1Li2Pd1?
Cu1Li2Pd1 has a DFT-computed band gap of 0.49 eV across 27 reported structures.
Is Cu1Li2Pd1 a metal, semiconductor, or insulator?
With a band gap up to 0.49 eV it is a semiconductor.
Is Cu1Li2Pd1 thermodynamically stable?
Cu1Li2Pd1 has a lowest energy above hull of 1.555 eV/atom (above hull).
What is the crystal structure of Cu1Li2Pd1?
The lowest-energy reported polymorph of Cu1Li2Pd1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cu1Li2Pd1?
The computed density of the ground-state structure of Cu1Li2Pd1 is 0.42 g/cm³.
How many polymorphs of Cu1Li2Pd1 are known?
27 structures of Cu1Li2Pd1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Cu1Li2Pd1 contain?
Cu1Li2Pd1 contains Cu, Li, and Pd (3 elements).
Where does the data for Cu1Li2Pd1 come from?
Cu1Li2Pd1 data is cross-referenced from materials_project, aflow.
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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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