Hf2Rh
This is a binary intermetallic compound composed of hafnium and rhodium. It is primarily studied in materials science for its structural properties and potential behavior in specialized metallic systems.
Overview
Key Properties
Cross-validated computational properties for Hf2Rh, 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.
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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
109
4 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Hf2Rh, 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 | -38.810 | 13.20 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 11.66 |
| C2/c (No. 15) | Monoclinic | — | — | — | 13.17 |
| P1 (No. 1) | Triclinic | — | — | — | 5.22 |
| P1 (No. 1) | Triclinic | — | — | — | 7.37 |
| P1 (No. 1) | Triclinic | — | — | — | 7.47 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.38 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.84 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.70 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 14.50 |
| C2/c (No. 15) | Monoclinic | — | — | — | 17.51 |
Uses
Applications
Where Hf2Rh is used.
Materials science researchFundamental condensed matter physics studies
Reference
Frequently Asked Questions
Common questions about Hf2Rh, answered from cross-validated data.
What is Hf2Rh?
This is a binary intermetallic compound composed of hafnium and rhodium. It is primarily studied in materials science for its structural properties and potential behavior in specialized metallic systems.
More questions
What is Hf2Rh used for?
Hf2Rh is used in materials science research and fundamental condensed matter physics studies.
What is the band gap of Hf2Rh?
Hf2Rh is computed to be metallic (no band gap) in the reported DFT structures.
Is Hf2Rh a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Hf2Rh thermodynamically stable?
Yes — Hf2Rh sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Hf2Rh?
The lowest-energy reported polymorph of Hf2Rh is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Hf2Rh?
The computed density of the ground-state structure of Hf2Rh is 13.20 g/cm³.
How many polymorphs of Hf2Rh are known?
109 structures of Hf2Rh are reported across 4 databases, spanning 23 distinct space groups.
What elements does Hf2Rh contain?
Hf2Rh contains Hf and Rh (2 elements).
Where does the data for Hf2Rh come from?
Hf2Rh data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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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