Be2Cu
This intermetallic compound is composed of beryllium and copper. It is primarily studied for its structural properties in specialized metallurgical applications where high strength and specific thermal characteristics are required.
BeCu
Overview
Key Properties
Cross-validated computational properties for Be2Cu, aggregated across 4 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.
Metallic / not reported
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
37
4 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Be2Cu, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0000 | -4.000 | 5.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.35 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.57 |
| P1 (No. 1) | Triclinic | — | — | — | 3.14 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.73 |
| P1 (No. 1) | Triclinic | — | — | — | 3.53 |
| P1 (No. 1) | Triclinic | — | — | — | 3.84 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.99 |
Uses
Applications
Where Be2Cu is used.
Aerospace componentsSpecialized alloysMaterials science research
Reference
Frequently Asked Questions
Common questions about Be2Cu, answered from cross-validated data.
What is Be2Cu?
This intermetallic compound is composed of beryllium and copper. It is primarily studied for its structural properties in specialized metallurgical applications where high strength and specific thermal characteristics are required.
More questions
What is Be2Cu used for?
Be2Cu is used in aerospace components, specialized alloys, and materials science research.
What is the band gap of Be2Cu?
Be2Cu is computed to be metallic (no band gap) in the reported DFT structures.
Is Be2Cu a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Be2Cu thermodynamically stable?
Yes — Be2Cu sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Be2Cu?
The lowest-energy reported polymorph of Be2Cu is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Be2Cu?
The computed density of the ground-state structure of Be2Cu is 5.11 g/cm³.
How many polymorphs of Be2Cu are known?
37 structures of Be2Cu are reported across 4 databases, spanning 10 distinct space groups.
What elements does Be2Cu contain?
Be2Cu contains Be and Cu (2 elements).
Where does the data for Be2Cu come from?
Be2Cu data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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