LiRh
Lithium rhodium is an intermetallic compound composed of lithium and rhodium. It is primarily studied by researchers investigating the structural and electronic properties of binary metal alloys.
Overview
Key Properties
Cross-validated computational properties for LiRh, 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.
63
4 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiRh, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -13.447 | 6.92 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.51 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 7.02 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 6.73 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.87 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 6.90 |
| R3m (No. 160) | Trigonal | — | — | — | 3.59 |
| R3m (No. 160) | Trigonal | — | — | — | 4.03 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.39 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.93 |
Uses
Applications
Where LiRh is used.
Materials science researchFundamental solid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about LiRh, answered from cross-validated data.
What is LiRh?
Lithium rhodium is an intermetallic compound composed of lithium and rhodium. It is primarily studied by researchers investigating the structural and electronic properties of binary metal alloys.
More questions
What is LiRh used for?
LiRh is used in materials science research and fundamental solid-state chemistry studies.
What is the band gap of LiRh?
LiRh is computed to be metallic (no band gap) in the reported DFT structures.
Is LiRh a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is LiRh thermodynamically stable?
Yes — LiRh sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiRh?
The lowest-energy reported polymorph of LiRh is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of LiRh?
The computed density of the ground-state structure of LiRh is 6.92 g/cm³.
How many polymorphs of LiRh are known?
63 structures of LiRh are reported across 4 databases, spanning 13 distinct space groups.
What elements does LiRh contain?
LiRh contains Li and Rh (2 elements).
Where does the data for LiRh come from?
LiRh data is cross-referenced from materials_project, mpaloe, jarvis.
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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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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