Be2CuIr
This intermetallic compound is a ternary phase composed of beryllium, copper, and iridium. It is primarily studied in the context of fundamental materials science research regarding its crystal structure and electronic properties.
Key Properties
Cross-validated computational properties for Be2CuIr, aggregated across 5 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 Be2CuIr, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -5.504 | 11.11 |
| R3m (No. 160) | — | — | — | — | — |
| — | — | — | — | — | 10.58 |
| — | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Be2CuIr is used.
Frequently Asked Questions
Common questions about Be2CuIr, answered from cross-validated data.
What is Be2CuIr?
This intermetallic compound is a ternary phase composed of beryllium, copper, and iridium. It is primarily studied in the context of fundamental materials science research regarding its crystal structure and electronic properties.
What is Be2CuIr used for?
What is the band gap of Be2CuIr?
Is Be2CuIr a metal, semiconductor, or insulator?
Is Be2CuIr thermodynamically stable?
What is the crystal structure of Be2CuIr?
What is the density of Be2CuIr?
How many polymorphs of Be2CuIr are known?
What elements does Be2CuIr contain?
Where does the data for Be2CuIr come from?
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).
- alexandria — Data from alexandria.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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