Be2CoCu
Be2CoCu is a semiconducting ternary intermetallic compound containing beryllium, cobalt, and copper that is currently classified as a metastable phase.
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.
Key Properties
Cross-validated computational properties for Be2CoCu, aggregated across 3 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 Be2CoCu. 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 Be2CoCu, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0037 | -0.205 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.1836 | -0.064 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.1836 | -0.064 | — |
| — | — | 0.00 | 0.2062 | -0.002 | — |
| Immm (No. 71) | orthorhombic | 1.29 | 2.5676 | -2.326 | 0.44 |
Applications
Where Be2CoCu is used.
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.
What is Be2CoCu used for?
What is the band gap of Be2CoCu?
Is Be2CoCu a metal, semiconductor, or insulator?
Is Be2CoCu thermodynamically stable?
What is the crystal structure of Be2CoCu?
What is the density of Be2CoCu?
How many polymorphs of Be2CoCu are known?
What elements does Be2CoCu contain?
Where does the data for Be2CoCu come from?
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
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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