Be2Zn
Be2Zn is a metallic, thermodynamically unstable intermetallic compound formed from beryllium and zinc.
About Be2Zn
Be2Zn is a metallic intermetallic compound composed of beryllium and zinc. As a metallic system, it lacks a band gap, reflecting its conductive electronic nature within its complex structural framework.
Despite being documented across multiple structural databases, this compound is identified as being above the thermodynamic hull. This suggests that the material is inherently unstable under standard conditions, making it a subject of interest for fundamental studies on phase formation and metastability.
Key Properties
Cross-validated computational properties for Be2Zn, 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 Be2Zn, 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. |
|---|---|---|---|---|---|
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.2837 | -2.629 | 4.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.35 |
| P1 (No. 1) | Triclinic | — | — | — | 2.48 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.37 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.31 |
| Fmmm (No. 69) | — | — | — | — | — |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 3.71 |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 3.73 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.50 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.14 |
Applications
Where Be2Zn is used.
Frequently Asked Questions
Common questions about Be2Zn, answered from cross-validated data.
What is Be2Zn?
Be2Zn is a metallic, thermodynamically unstable intermetallic compound formed from beryllium and zinc.
What is Be2Zn used for?
What is the band gap of Be2Zn?
Is Be2Zn a metal, semiconductor, or insulator?
Is Be2Zn thermodynamically stable?
What is the crystal structure of Be2Zn?
What is the density of Be2Zn?
How many polymorphs of Be2Zn are known?
What elements does Be2Zn contain?
Where does the data for Be2Zn come from?
How It Compares
As a unique beryllide intermetallic, Be2Zn represents a specialized case within its class. Unlike more stable, commercially utilized beryllides, this compound serves primarily as a theoretical benchmark for understanding the structural limitations and energetic landscape of beryllium-zinc alloys.
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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