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 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.
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.
Reported Structures
Lowest-energy structures reported for ScZn, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.412 | — |
| — | — | 0.00 | 0.0000 | -0.379 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -4.178 | 4.94 |
| — | — | 0.00 | 0.0008 | -0.378 | — |
| — | — | 0.00 | 0.0022 | -0.377 | — |
| — | — | 0.00 | 0.0059 | -0.373 | — |
| — | — | 0.00 | 0.0707 | -0.309 | — |
| — | — | 0.00 | 0.1162 | -0.263 | — |
| — | — | 0.00 | 0.1185 | -0.261 | — |
| — | — | 0.00 | 0.1260 | -0.253 | — |
| — | — | 0.00 | 0.1264 | -0.253 | — |
| — | — | 0.00 | 0.1276 | -0.252 | — |
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?
What is the crystal structure of ScZn?
How many polymorphs of ScZn are known?
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
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
Analyze ScZn in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →