NaSb
NaSb is a thermodynamically stable semiconducting compound formed from sodium and antimony.
About NaSb
NaSb is a binary compound composed of sodium and antimony that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
The material is characterized by a significant degree of structural diversity, with numerous reported configurations across multiple databases. This structural richness makes it a subject of interest for researchers investigating the fundamental properties of alkali-antimonide systems.
Key Properties
Cross-validated computational properties for NaSb, 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 NaSb. 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 NaSb, 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. |
|---|---|---|---|---|---|
| — | — | 0.53 | 0.0000 | -0.389 | — |
| P21/c (No. 14) | monoclinic | 0.37 | 0.0000 | -15.084 | 4.03 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -0.378 | — |
| P21/c (No. 14) | monoclinic | 0.51 | 0.0034 | -0.375 | — |
| — | — | 0.00 | 0.0348 | -0.354 | — |
| — | — | 0.00 | 0.1127 | -0.276 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1131 | -0.265 | — |
| — | — | 0.00 | 0.1258 | -0.263 | — |
| — | — | 0.00 | 0.1298 | -0.259 | — |
| — | — | 0.00 | 0.1353 | -0.253 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.3712 | -0.007 | — |
| — | — | 0.00 | 0.5632 | 0.175 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaSb.
Applications
Where NaSb is used.
Frequently Asked Questions
Common questions about NaSb, answered from cross-validated data.
What is NaSb?
NaSb is a thermodynamically stable semiconducting compound formed from sodium and antimony.
What is NaSb used for?
What is the band gap of NaSb?
Is NaSb a metal, semiconductor, or insulator?
Is NaSb thermodynamically stable?
What is the crystal structure of NaSb?
What is the density of NaSb?
How many polymorphs of NaSb are known?
How is NaSb synthesized?
What elements does NaSb contain?
Where does the data for NaSb come from?
How It Compares
As a standalone entry in this specific classification context, NaSb serves as a primary reference point for understanding the stability and electronic behavior of sodium-antimony intermetallic phases.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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