Be2CuOs

Be2CuOs is a semiconducting ternary compound containing beryllium, copper, and osmium that is currently considered thermodynamically unstable.

BeCuOs
Crystal structure of Be2CuOs (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Be2CuOs

Be2CuOs is a complex ternary compound composed of beryllium, copper, and osmium. It exhibits semiconducting electronic behavior, positioning it as a subject of interest for researchers investigating the interplay between light elements and heavy transition metals in solid-state chemistry.

Despite being identified across multiple structural databases, the compound is characterized as being above the thermodynamic hull. This suggests that it may be metastable or difficult to synthesize in pure form, requiring specific conditions to stabilize its crystalline arrangement.

At a glance

Key Properties

Cross-validated computational properties for Be2CuOs, aggregated across 3 databases.

Band Gap

0.29 eV
Range across DFT structures

Energy Above Hull

3.063 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

9
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Be2CuOs, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.293.0629-2.7990.87
P4mm (No. 99)
P4/mmm (No. 123)
P4/mmm (No. 123)
I-4m2 (No. 119)
Immm (No. 71)
10.82
10.48
10.67
Reference

Frequently Asked Questions

Common questions about Be2CuOs, answered from cross-validated data.

What is Be2CuOs?

Be2CuOs is a semiconducting ternary compound containing beryllium, copper, and osmium that is currently considered thermodynamically unstable.

More questions
What is the band gap of Be2CuOs?
Be2CuOs has a DFT-computed band gap of 0.29 eV across 9 reported structures.
Is Be2CuOs a metal, semiconductor, or insulator?
With a band gap up to 0.29 eV it is a semiconductor.
Is Be2CuOs thermodynamically stable?
Be2CuOs has a lowest energy above hull of 3.063 eV/atom (above hull).
What is the crystal structure of Be2CuOs?
The lowest-energy reported polymorph of Be2CuOs is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Be2CuOs?
The computed density of the ground-state structure of Be2CuOs is 0.87 g/cm³.
How many polymorphs of Be2CuOs are known?
9 structures of Be2CuOs are reported across 3 databases, spanning 4 distinct space groups.
What elements does Be2CuOs contain?
Be2CuOs contains Be, Cu, and Os (3 elements).
Where does the data for Be2CuOs come from?
Be2CuOs data is cross-referenced from materials_project, jarvis, omat24.
Comparison

How It Compares

As a unique ternary phase, Be2CuOs represents an exploratory entry in the landscape of beryllium-based intermetallics. Without direct structural siblings in this specific class, it serves as a distinct case study for how the inclusion of osmium influences the electronic properties of copper-beryllium frameworks.

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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