Be1Hf2Zn1
Be1Hf2Zn1 is a semiconducting ternary intermetallic compound that is thermodynamically metastable.
About Be1Hf2Zn1
Be1Hf2Zn1 is a complex ternary intermetallic compound composed of beryllium, hafnium, and zinc. It exhibits semiconducting electronic properties, positioning it as an interesting subject for fundamental research into the behavior of light elements paired with heavy transition metals.
Due to its position above the thermodynamic hull, this material is considered likely unstable under standard conditions. Despite this, the compound has been identified across multiple structural configurations in computational databases, highlighting the diverse ways these elements can arrange themselves at the atomic scale.
Key Properties
Cross-validated computational properties for Be1Hf2Zn1, aggregated across 2 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.
Frequently Asked Questions
Common questions about Be1Hf2Zn1, answered from cross-validated data.
What is Be1Hf2Zn1?
Be1Hf2Zn1 is a semiconducting ternary intermetallic compound that is thermodynamically metastable.
What is the band gap of Be1Hf2Zn1?
Is Be1Hf2Zn1 a metal, semiconductor, or insulator?
Is Be1Hf2Zn1 thermodynamically stable?
How many polymorphs of Be1Hf2Zn1 are known?
What elements does Be1Hf2Zn1 contain?
Where does the data for Be1Hf2Zn1 come from?
How It Compares
As a unique ternary phase, Be1Hf2Zn1 represents a niche structural arrangement within the broader landscape of beryllium-hafnium-zinc intermetallics. While it lacks direct structural siblings in this specific dataset, its existence as a metastable phase provides valuable insight into the energetic landscape of complex transition metal-beryllium systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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