Mo
Molybdenum · Moly
Molybdenum is a stable, metallic chemical element widely utilized for its strength and heat resistance in industrial and metallurgical applications.
About Molybdenum
Molybdenum is a transition metal characterized by its distinct metallic electronic structure. As a thermodynamically stable element, it maintains structural integrity under extreme conditions, making it a cornerstone material in high-temperature engineering and industrial manufacturing. Its ability to form stable alloys and compounds is central to its widespread utility across various technical fields. Because of its reliable phase stability, it serves as a foundational building block for advanced materials research. Its role in modern technology is bolstered by a vast body of structural data, reflecting its status as a thoroughly studied and highly dependable metallic element.
Key Properties
Cross-validated computational properties for Molybdenum, 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 Mo. 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 Mo, 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. |
|---|---|---|---|---|---|
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | 0.825 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | -26.072 | 10.03 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.410 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.410 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | 0.304 | — |
| — | — | 0.00 | 0.0003 | 0.000 | — |
| — | — | 0.00 | 0.0945 | 0.095 | — |
| — | — | 0.00 | 0.1236 | 0.124 | — |
| — | — | 0.00 | 0.2678 | 0.268 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Mo.
Applications
Where Molybdenum is used.
Frequently Asked Questions
Common questions about Molybdenum, answered from cross-validated data.
What is Mo?
Molybdenum is a stable, metallic chemical element widely utilized for its strength and heat resistance in industrial and metallurgical applications.
What is Mo used for?
What is the band gap of Mo?
Is Mo a metal, semiconductor, or insulator?
Is Mo thermodynamically stable?
What is the crystal structure of Mo?
What is the density of Mo?
How many polymorphs of Mo are known?
How is Mo synthesized?
What elements does Mo contain?
Where does the data for Mo come from?
How It Compares
As a pure elemental metal, Molybdenum serves as a primary reference point for metallic behavior and structural stability, setting the standard for the transition metal group in industrial applications.
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)
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