Co2Mo3
Co2Mo3 is a metallic intermetallic compound formed from cobalt and molybdenum that typically exists in a metastable state.
About Co2Mo3
Co2Mo3 is a metallic binary compound composed of cobalt and molybdenum. Its electronic structure is characterized by a lack of a band gap, consistent with its metallic nature, which facilitates efficient electron transport within the lattice.
While the material is documented across multiple structural databases, it exists in a metastable state above the thermodynamic hull. This suggests that while it can be synthesized under specific conditions, it remains a subject of fundamental interest for understanding phase stability in transition metal alloys.
Key Properties
Cross-validated computational properties for Co2Mo3, aggregated across 5 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 Co2Mo3. 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 Co2Mo3, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.00 | 0.2279 | -20.709 | 9.70 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.5107 | -20.426 | 9.44 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 6.44 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 9.01 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.67 |
| No. 0 | unknown | — | — | — | 1.34 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.70 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.24 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.61 |
Applications
Where Co2Mo3 is used.
Frequently Asked Questions
Common questions about Co2Mo3, answered from cross-validated data.
What is Co2Mo3?
Co2Mo3 is a metallic intermetallic compound formed from cobalt and molybdenum that typically exists in a metastable state.
What is Co2Mo3 used for?
What is the band gap of Co2Mo3?
Is Co2Mo3 a metal, semiconductor, or insulator?
Is Co2Mo3 thermodynamically stable?
What is the crystal structure of Co2Mo3?
What is the density of Co2Mo3?
How many polymorphs of Co2Mo3 are known?
What elements does Co2Mo3 contain?
Where does the data for Co2Mo3 come from?
How It Compares
As a binary transition metal system, Co2Mo3 represents a specific stoichiometry within the broader landscape of cobalt-molybdenum intermetallics. Without a stable ground-state configuration, it serves as a critical case study for researchers investigating the kinetics of phase formation and the influence of structural arrangement on the properties of metallic alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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