CoMo3
This is a binary intermetallic compound composed of cobalt and molybdenum. It is primarily studied in the field of materials science for its structural properties and potential roles in catalytic processes.
CoMo
Overview
Key Properties
Cross-validated computational properties for CoMo3, 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.
Metallic / not reported
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.
0.219 eV/atom
Best (lowest) across sources
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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
5 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CoMo3, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.2186 | -22.644 | 9.89 |
| P4mm (No. 99) | Tetragonal | — | — | — | 10.02 |
| — | — | — | — | — | 9.85 |
| — | — | — | — | — | 9.88 |
| — | — | — | — | — | 9.81 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 9.22 |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 12.94 |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 7.29 |
| — | — | — | — | — | 9.75 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | Tetragonal | — | — | — | 10.62 |
Uses
Applications
Where CoMo3 is used.
Catalysis researchMaterials science studiesAlloy development
Reference
Frequently Asked Questions
Common questions about CoMo3, answered from cross-validated data.
What is CoMo3?
This is a binary intermetallic compound composed of cobalt and molybdenum. It is primarily studied in the field of materials science for its structural properties and potential roles in catalytic processes.
More questions
What is CoMo3 used for?
CoMo3 is used in catalysis research, materials science studies, and alloy development.
What is the band gap of CoMo3?
CoMo3 is computed to be metallic (no band gap) in the reported DFT structures.
Is CoMo3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CoMo3 thermodynamically stable?
CoMo3 has a lowest energy above hull of 0.219 eV/atom (above hull).
What is the crystal structure of CoMo3?
The lowest-energy reported polymorph of CoMo3 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of CoMo3?
The computed density of the ground-state structure of CoMo3 is 9.89 g/cm³.
How many polymorphs of CoMo3 are known?
19 structures of CoMo3 are reported across 5 databases, spanning 6 distinct space groups.
What elements does CoMo3 contain?
CoMo3 contains Co and Mo (2 elements).
Where does the data for CoMo3 come from?
CoMo3 data is cross-referenced from materials_project, mpaloe, omat24, nomad, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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