BeCu2Li
BeCu2Li is a semiconducting ternary intermetallic compound composed of beryllium, copper, and lithium.
About BeCu2Li
BeCu2Li is a ternary intermetallic compound characterized by semiconducting electronic behavior. Its composition integrates beryllium, copper, and lithium, resulting in a complex structural arrangement that has been documented across multiple crystallographic databases. Due to its position above the thermodynamic hull, this material is considered metastable under standard conditions. Its study provides valuable insights into the phase stability and electronic properties of light-metal alloy systems.
Key Properties
Cross-validated computational properties for BeCu2Li, 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 BeCu2Li, 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 | 0.31 | 1.7250 | -1.807 | 0.38 |
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| — | — | — | — | — | 5.23 |
| — | — | — | — | — | 5.12 |
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Frequently Asked Questions
Common questions about BeCu2Li, answered from cross-validated data.
What is BeCu2Li?
BeCu2Li is a semiconducting ternary intermetallic compound composed of beryllium, copper, and lithium.
What is the band gap of BeCu2Li?
Is BeCu2Li a metal, semiconductor, or insulator?
Is BeCu2Li thermodynamically stable?
What is the crystal structure of BeCu2Li?
What is the density of BeCu2Li?
How many polymorphs of BeCu2Li are known?
What elements does BeCu2Li contain?
Where does the data for BeCu2Li come from?
How It Compares
As a unique ternary phase, BeCu2Li represents a specialized case within the broader landscape of beryllium-bearing intermetallics, where it serves as an example of the structural diversity possible in these complex multi-element systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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