AlCo
AlCo is a stable metallic intermetallic compound composed of aluminum and cobalt that serves as a key reference in materials science research.
About AlCo
AlCo is a metallic intermetallic compound characterized by its robust thermodynamic stability. As a material situated directly on the convex hull, it represents a highly favorable structural configuration, making it a significant subject for fundamental materials science research. Its metallic nature suggests high electrical and thermal conductivity, which are essential traits for its potential integration into functional alloy systems. The extensive documentation of its structural variations across multiple databases highlights its importance as a model system for understanding binary intermetallic bonding. Researchers frequently study this compound to gain insights into the phase stability and structural evolution of aluminum-cobalt systems, which are critical for developing high-performance materials. Its ability to maintain a stable structure under various conditions makes it a reliable candidate for experimental validation of theoretical models.
Key Properties
Cross-validated computational properties for AlCo, 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.
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 AlCo. 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 AlCo, 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 | -0.618 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -10.540 | 6.37 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.618 | — |
| — | — | 0.00 | 0.0000 | -0.614 | — |
| — | — | 0.00 | 0.0004 | -0.614 | — |
| — | — | 0.00 | 0.0005 | -0.614 | — |
| — | — | 0.00 | 0.0038 | -0.610 | — |
| — | — | 0.00 | 0.0233 | -0.591 | — |
| — | — | 0.00 | 0.2657 | -0.348 | — |
| — | — | 0.00 | 0.2953 | -0.319 | — |
| — | — | 0.00 | 0.3073 | -0.307 | — |
| — | — | 0.00 | 0.3222 | -0.292 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting AlCo.
Applications
Where AlCo is used.
Frequently Asked Questions
Common questions about AlCo, answered from cross-validated data.
What is AlCo?
AlCo is a stable metallic intermetallic compound composed of aluminum and cobalt that serves as a key reference in materials science research.
What is AlCo used for?
What is the band gap of AlCo?
Is AlCo a metal, semiconductor, or insulator?
Is AlCo thermodynamically stable?
What is the crystal structure of AlCo?
How many polymorphs of AlCo are known?
How is AlCo synthesized?
What elements does AlCo contain?
Where does the data for AlCo come from?
How It Compares
As a standalone binary intermetallic, AlCo serves as a primary reference point for understanding the behavior of aluminum-cobalt systems. Its verified thermodynamic stability distinguishes it as a foundational structure in this binary space, providing a benchmark for researchers investigating the complex phase diagrams and structural properties of transition metal aluminides.
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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