LiPRh2
LiPRh2 is a semiconducting ternary phosphide belonging to the platinum-group alloy catalyst class, currently recognized as a metastable phase in materials research.
About LiPRh2
LiPRh2 is a ternary phosphide compound categorized within the broader family of platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of alkali metal chemistry and precious metal coordination, offering a distinct electronic profile compared to traditional metallic catalysts. While it has been identified across multiple structural databases, its thermodynamic position above the hull suggests it is a metastable phase. This metastability often makes such compounds subjects of intense fundamental interest in materials science, as researchers investigate the conditions required to stabilize these complex atomic arrangements for potential catalytic applications.
Key Properties
Cross-validated computational properties for LiPRh2, 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 LiPRh2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.12 | 2.4248 | -13.212 | 0.59 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 7.96 |
| — | — | — | — | — | 7.64 |
Applications
Where LiPRh2 is used.
Frequently Asked Questions
Common questions about LiPRh2, answered from cross-validated data.
What is LiPRh2?
LiPRh2 is a semiconducting ternary phosphide belonging to the platinum-group alloy catalyst class, currently recognized as a metastable phase in materials research.
What is LiPRh2 used for?
What is the band gap of LiPRh2?
Is LiPRh2 a metal, semiconductor, or insulator?
Is LiPRh2 thermodynamically stable?
What is the crystal structure of LiPRh2?
What is the density of LiPRh2?
How many polymorphs of LiPRh2 are known?
What elements does LiPRh2 contain?
Where does the data for LiPRh2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, LiPRh2 occupies a specialized niche compared to more conventional binary systems like As2Pt or GeRu. While many of its siblings in this group are characterized by high metallic conductivity and significant thermodynamic stability, LiPRh2 is distinguished by its semiconducting behavior and metastable nature, marking it as a more exotic candidate for exploratory synthesis compared to the robust, well-established phases like As2Ir.
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).
- 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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