ScZn
ScZn is a thermodynamically stable metallic intermetallic compound composed of scandium and zinc.
About ScZn
ScZn is a metallic intermetallic compound characterized by its robust thermodynamic stability. As a member of the scandium-zinc binary system, it occupies a position on the convex hull, indicating a highly favorable energetic state that makes it a significant subject for structural analysis.
With a wealth of reported structural configurations across multiple databases, this compound serves as a key reference point in the study of transition metal alloys. Its metallic nature and structural diversity provide essential insights into the bonding and phase behavior of scandium-based intermetallics.
Key Properties
Cross-validated computational properties for ScZn, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ScZn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Synthesis Routes
Literature-extracted synthesis procedures targeting ScZn.
Applications
Where ScZn is used.
Frequently Asked Questions
Common questions about ScZn, answered from cross-validated data.
What is ScZn?
ScZn is a thermodynamically stable metallic intermetallic compound composed of scandium and zinc.
What is ScZn used for?
What is the band gap of ScZn?
Is ScZn a metal, semiconductor, or insulator?
Is ScZn thermodynamically stable?
How many polymorphs of ScZn are known?
How is ScZn synthesized?
What elements does ScZn contain?
Where does the data for ScZn come from?
How It Compares
As a stable binary intermetallic, ScZn represents a fundamental phase within the scandium-zinc system. Its high degree of structural characterization distinguishes it as a reliable model for understanding the phase stability and electronic behavior of similar transition metal alloys.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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