ZnSb
Zinc antimonide · Zinc monoantimonide
Zinc antimonide is a semiconducting intermetallic compound composed of zinc and antimony. It is primarily researched and utilized for its thermoelectric properties, which allow it to convert heat directly into electrical energy.
SbZn
Overview
Key Properties
Cross-validated computational properties for Zinc antimonide, 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.
0.03 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
43
4 databases, 11 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.03 | 0.0000 | -17.370 | 6.35 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.55 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.33 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.45 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.53 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.30 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.79 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.03 |
| No. 0 | unknown | — | — | — | 2.10 |
Uses
Applications
Where Zinc antimonide is used.
Thermoelectric generatorsInfrared detectorsSemiconductor research
Reference
Frequently Asked Questions
Common questions about Zinc antimonide, answered from cross-validated data.
What is ZnSb?
Zinc antimonide is a semiconducting intermetallic compound composed of zinc and antimony. It is primarily researched and utilized for its thermoelectric properties, which allow it to convert heat directly into electrical energy.
More questions
What is ZnSb used for?
Zinc antimonide (ZnSb) is used in thermoelectric generators, infrared detectors, and semiconductor research.
What is the band gap of ZnSb?
Zinc antimonide (ZnSb) has a DFT-computed band gap of 0.03 eV across 43 reported structures.
Is ZnSb a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is ZnSb thermodynamically stable?
Yes — Zinc antimonide (ZnSb) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnSb?
The lowest-energy reported polymorph of Zinc antimonide (ZnSb) is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of ZnSb?
The computed density of the ground-state structure of Zinc antimonide (ZnSb) is 6.35 g/cm³.
How many polymorphs of ZnSb are known?
43 structures of ZnSb are reported across 4 databases, spanning 11 distinct space groups.
What elements does ZnSb contain?
Zinc antimonide (ZnSb) contains Sb and Zn (2 elements).
Where does the data for ZnSb come from?
ZnSb data is cross-referenced from materials_project, mpaloe, cod, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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