ZnSb
zinc antimonide · zinc monoantimonide
ZnSb is a stable, semimetallic zinc-antimony compound primarily utilized in thermoelectric and semiconductor research.
About zinc antimonide
ZnSb is a binary inorganic compound composed of zinc and antimony. It is recognized for its thermodynamic stability, sitting firmly on the convex hull, which makes it a robust candidate for materials science investigations. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime where it exhibits unique transport properties.
Because of its structural reliability and electronic nature, this compound is frequently studied for its potential in energy conversion technologies. It serves as a foundational material for researchers looking to understand the interplay between atomic structure and electronic behavior in antimonide-based systems.
Key Properties
Cross-validated computational properties for zinc antimonide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ZnSb. 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 ZnSb, 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. |
|---|---|---|---|---|---|
| — | — | 0.20 | 0.0000 | -0.034 | — |
| Pbca (No. 61) | orthorhombic | 0.06 | 0.0000 | -0.042 | — |
| Pbca (No. 61) | orthorhombic | 0.03 | 0.0000 | -17.370 | 6.35 |
| — | — | 0.00 | 0.1008 | 0.066 | — |
| — | — | 0.00 | 0.1087 | 0.074 | — |
| — | — | 0.00 | 0.1099 | 0.076 | — |
| — | — | 0.00 | 0.1338 | 0.099 | — |
| — | — | 0.00 | 0.1359 | 0.102 | — |
| — | — | 0.00 | 0.1360 | 0.102 | — |
| — | — | 0.00 | 0.1361 | 0.102 | — |
| — | — | 0.00 | 0.1462 | 0.112 | — |
| — | — | 0.00 | 0.1495 | 0.115 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnSb.
Applications
Where zinc antimonide is used.
Frequently Asked Questions
Common questions about zinc antimonide, answered from cross-validated data.
What is ZnSb?
ZnSb is a stable, semimetallic zinc-antimony compound primarily utilized in thermoelectric and semiconductor research.
What is ZnSb used for?
What is the band gap of ZnSb?
Is ZnSb a metal, semiconductor, or insulator?
Is ZnSb thermodynamically stable?
What is the crystal structure of ZnSb?
How many polymorphs of ZnSb are known?
How is ZnSb synthesized?
What elements does ZnSb contain?
Where does the data for ZnSb come from?
How It Compares
As a thermodynamically stable semimetallic phase, ZnSb represents a key reference point for zinc-antimony binary systems. It is one of the most-studied members of its chemical family, providing a benchmark for structural complexity and electronic performance in materials that do not require complex doping to exhibit interesting physical characteristics.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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