BeRh2Zr
BeRh2Zr is a semiconducting ternary alloy composed of beryllium, rhodium, and zirconium used in catalytic materials research.
About BeRh2Zr
BeRh2Zr is a specialized ternary compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a complex arrangement of beryllium, rhodium, and zirconium atoms that has been documented across multiple structural databases.
While its thermodynamic profile suggests it sits above the stability hull, the existence of several distinct structural phases highlights its interest to researchers studying phase competition. Its unique composition makes it a subject of investigation for potential catalytic applications where specific electronic band structures are required.
Key Properties
Cross-validated computational properties for BeRh2Zr, aggregated across 3 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 BeRh2Zr, 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 | 0.13 | 2.9327 | -4.524 | 0.66 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 8.63 |
| — | — | — | — | — | 8.63 |
| — | — | — | — | — | 8.38 |
Applications
Where BeRh2Zr is used.
Frequently Asked Questions
Common questions about BeRh2Zr, answered from cross-validated data.
What is BeRh2Zr?
BeRh2Zr is a semiconducting ternary alloy composed of beryllium, rhodium, and zirconium used in catalytic materials research.
What is BeRh2Zr used for?
What is the band gap of BeRh2Zr?
Is BeRh2Zr a metal, semiconductor, or insulator?
Is BeRh2Zr thermodynamically stable?
What is the crystal structure of BeRh2Zr?
What is the density of BeRh2Zr?
How many polymorphs of BeRh2Zr are known?
What elements does BeRh2Zr contain?
Where does the data for BeRh2Zr come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys like P3Ru, As2Pt, and LaRh, BeRh2Zr stands out due to its inclusion of light beryllium elements alongside heavy transition metals. Unlike more stable intermetallic counterparts in this class, BeRh2Zr exhibits a metastable character that provides a distinct case study for structural phase transitions in complex ternary systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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