BeCo
BeCo is a thermodynamically stable metallic intermetallic compound formed from beryllium and cobalt.
About BeCo
BeCo is a binary intermetallic compound composed of beryllium and cobalt. As a metallic phase that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental studies in alloy science.
With a high degree of data richness, this compound has been characterized across numerous structural configurations. Its metallic nature and stable bonding environment provide a unique platform for investigating the interactions between light alkaline earth metals and transition metals.
Key Properties
Cross-validated computational properties for BeCo, 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 BeCo. 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 BeCo, 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 | 0.0000 | -0.316 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -5.730 | 6.63 |
| — | — | 0.00 | 0.0000 | -0.312 | — |
| — | — | 0.00 | 0.0043 | -0.308 | — |
| — | — | 0.00 | 0.0158 | -0.297 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1028 | -0.213 | — |
| — | — | 0.00 | 0.1998 | -0.112 | — |
| — | — | 0.00 | 0.5998 | 0.287 | — |
| — | — | 0.00 | 0.9607 | 0.648 | — |
| — | — | 0.00 | 1.6056 | 1.293 | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.39 |
| P-1 (No. 2) | triclinic | — | — | — | 5.79 |
Applications
Where BeCo is used.
Frequently Asked Questions
Common questions about BeCo, answered from cross-validated data.
What is BeCo?
BeCo is a thermodynamically stable metallic intermetallic compound formed from beryllium and cobalt.
What is BeCo used for?
What is the band gap of BeCo?
Is BeCo a metal, semiconductor, or insulator?
Is BeCo thermodynamically stable?
What is the crystal structure of BeCo?
How many polymorphs of BeCo are known?
What elements does BeCo contain?
Where does the data for BeCo come from?
How It Compares
As a distinct intermetallic phase, BeCo represents a specialized composition within the broader landscape of beryllium-cobalt alloys, serving as a primary reference point for understanding the phase stability and structural diversity of this binary system.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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