BeCu
BeCu is a metallic intermetallic compound formed from beryllium and copper that shows promise for experimental synthesis.
About BeCu
BeCu is a metallic intermetallic compound composed of beryllium and copper. Its electronic structure is characterized by a lack of a band gap, identifying it as a metallic conductor typical of binary alloys formed between these elements.
This material is considered near-hull in terms of thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis. With a significant number of reported structures across various databases, it represents an interesting subject for researchers investigating the complex phase space of beryllium-based alloys.
Key Properties
Cross-validated computational properties for BeCu, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BeCu. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BeCu, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0050 | -4.020 | 6.31 |
| — | — | 0.00 | 0.0053 | -0.096 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0247 | -0.085 | — |
| — | — | 0.00 | 0.0531 | -0.048 | — |
| — | — | 0.00 | 0.1141 | 0.013 | — |
| — | — | 0.00 | 0.1350 | 0.034 | — |
| — | — | 0.00 | 0.5840 | 0.483 | — |
| — | — | 0.00 | 1.1262 | 1.025 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 4.40 |
| P21/m (No. 11) | monoclinic | — | — | — | 5.78 |
| P1 (No. 1) | triclinic | — | — | — | 2.83 |
| P1 (No. 1) | triclinic | — | — | — | 3.61 |
Applications
Where BeCu is used.
Frequently Asked Questions
Common questions about BeCu, answered from cross-validated data.
What is BeCu?
BeCu is a metallic intermetallic compound formed from beryllium and copper that shows promise for experimental synthesis.
What is BeCu used for?
What is the band gap of BeCu?
Is BeCu a metal, semiconductor, or insulator?
Is BeCu thermodynamically stable?
What is the crystal structure of BeCu?
What is the density of BeCu?
How many polymorphs of BeCu are known?
What elements does BeCu contain?
Where does the data for BeCu come from?
How It Compares
As a binary intermetallic compound, BeCu occupies a specific niche in the study of light-metal alloys. While it currently stands as a singular entry in this context, it serves as a foundational example of how beryllium and copper can interact to form stable metallic phases, providing a baseline for understanding the broader structural diversity found in similar intermetallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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