CoMo
CoMo is a metallic binary compound of cobalt and molybdenum that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.
About CoMo
CoMo is a binary metallic compound composed of cobalt and molybdenum. Its electronic character is defined by its metallic nature, lacking a band gap, which suggests high electrical conductivity and potential utility in specialized electronic or catalytic applications. The material exhibits significant structural complexity, as evidenced by the large number of reported configurations across various databases. Being situated near the thermodynamic hull, it is considered a promising candidate for experimental synthesis and further characterization in materials science. Its stability profile makes it a subject of interest for researchers exploring transition metal alloys.
Key Properties
Cross-validated computational properties for CoMo, 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 CoMo. 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 CoMo, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0091 | -0.053 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0094 | -19.644 | 9.87 |
| — | — | 0.00 | 0.0676 | 0.026 | — |
| — | — | 0.00 | 0.1887 | 0.147 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.2397 | 0.178 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.2398 | -19.413 | 9.77 |
| — | — | 0.00 | 0.2417 | 0.200 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2911 | -19.362 | 9.53 |
| — | — | 0.00 | 0.3052 | 0.264 | — |
| — | — | 0.00 | 0.3173 | 0.276 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3420 | 0.280 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3595 | 0.297 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CoMo.
Applications
Where CoMo is used.
Frequently Asked Questions
Common questions about CoMo, answered from cross-validated data.
What is CoMo?
CoMo is a metallic binary compound of cobalt and molybdenum that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.
What is CoMo used for?
What is the band gap of CoMo?
Is CoMo a metal, semiconductor, or insulator?
Is CoMo thermodynamically stable?
What is the crystal structure of CoMo?
What is the density of CoMo?
How many polymorphs of CoMo are known?
How is CoMo synthesized?
What elements does CoMo contain?
Where does the data for CoMo come from?
How It Compares
As a unique binary transition metal system, CoMo occupies a distinct space in materials research. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding the interplay between cobalt and molybdenum in metallic alloys, highlighting the versatility of transition metal combinations in forming stable, synthesizable phases.
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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