Be2CoCu

Be2CoCu is a semiconducting ternary intermetallic compound containing beryllium, cobalt, and copper that is currently classified as a metastable phase.

BeCoCu
Crystal structure of Be2CoCu (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Be2CoCu

Be2CoCu is a complex ternary compound composed of beryllium, cobalt, and copper. It exhibits semiconducting electronic behavior, marking it as a material of interest for specialized electronic or structural investigations where specific band-structure characteristics are required.

As a material positioned above the thermodynamic hull, it is considered metastable. Its existence across multiple reported structures suggests that while it may not be the ground-state configuration, it remains a subject of interest for researchers studying the phase space of beryllium-based intermetallics.

At a glance

Key Properties

Cross-validated computational properties for Be2CoCu, aggregated across 3 databases.

Band Gap

1.29 eV
Range across DFT structures

Energy Above Hull

2.568 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Be2CoCu, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic1.292.5676-2.3260.44
P4mm (No. 99)
P4mm (No. 99)
6.21
5.39
6.04
6.01
Uses

Applications

Where Be2CoCu is used.

Fundamental materials researchSemiconductor physics studiesPhase stability analysis
Reference

Frequently Asked Questions

Common questions about Be2CoCu, answered from cross-validated data.

What is Be2CoCu?

Be2CoCu is a semiconducting ternary intermetallic compound containing beryllium, cobalt, and copper that is currently classified as a metastable phase.

More questions
What is Be2CoCu used for?
Be2CoCu is used in fundamental materials research, semiconductor physics studies, and phase stability analysis.
What is the band gap of Be2CoCu?
Be2CoCu has a DFT-computed band gap of 1.29 eV across 7 reported structures.
Is Be2CoCu a metal, semiconductor, or insulator?
With a band gap up to 1.29 eV it is a semiconductor.
Is Be2CoCu thermodynamically stable?
Be2CoCu has a lowest energy above hull of 2.568 eV/atom (above hull).
What is the crystal structure of Be2CoCu?
The lowest-energy reported polymorph of Be2CoCu is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Be2CoCu?
The computed density of the ground-state structure of Be2CoCu is 0.44 g/cm³.
How many polymorphs of Be2CoCu are known?
7 structures of Be2CoCu are reported across 3 databases, spanning 2 distinct space groups.
What elements does Be2CoCu contain?
Be2CoCu contains Be, Co, and Cu (3 elements).
Where does the data for Be2CoCu come from?
Be2CoCu data is cross-referenced from materials_project, jarvis, omat24.
Comparison

How It Compares

As a unique ternary intermetallic, Be2CoCu occupies a distinct niche in materials science. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding how the integration of transition metals into a beryllium-rich framework influences electronic semiconductivity and structural stability.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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