HfMo2
HfMo2 is a stable metallic intermetallic compound formed from hafnium and molybdenum.
About HfMo2
HfMo2 is a metallic intermetallic compound composed of hafnium and molybdenum. As a thermodynamically stable phase located directly on the convex hull, it represents a robust structural configuration within its chemical system.
This material is characterized by its distinct metallic electronic nature, which makes it a subject of interest for fundamental studies in solid-state physics. Its high data richness, evidenced by numerous reported structures across multiple databases, underscores its significance in materials science research.
Key Properties
Cross-validated computational properties for HfMo2, 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.
Reported Structures
Lowest-energy structures reported for HfMo2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0000 | -32.605 | 11.42 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0084 | -32.597 | 11.43 |
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.2071 | -32.398 | 11.65 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 11.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.99 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 9.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.12 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 10.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.77 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.29 |
Applications
Where HfMo2 is used.
Frequently Asked Questions
Common questions about HfMo2, answered from cross-validated data.
What is HfMo2?
HfMo2 is a stable metallic intermetallic compound formed from hafnium and molybdenum.
What is HfMo2 used for?
What is the band gap of HfMo2?
Is HfMo2 a metal, semiconductor, or insulator?
Is HfMo2 thermodynamically stable?
What is the crystal structure of HfMo2?
What is the density of HfMo2?
How many polymorphs of HfMo2 are known?
What elements does HfMo2 contain?
Where does the data for HfMo2 come from?
How It Compares
As a thermodynamically stable metallic phase, HfMo2 serves as a foundational reference point for understanding the complex interactions between transition metals in binary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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