NaSb
sodium antimonide
Sodium antimonide is a binary intermetallic compound composed of sodium and antimony. It is primarily utilized in specialized materials research and as a precursor in the synthesis of various semiconductor or electronic materials.
NaSb
Overview
Key Properties
Cross-validated computational properties for NaSb, 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.
0.60 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.
30
4 databases, 11 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.60 | 0.0000 | -15.084 | 4.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.93 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.13 |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 2.71 |
| No. 0 | unknown | — | — | — | 1.01 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.14 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.39 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.17 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.80 |
Uses
Applications
Where NaSb is used.
semiconductor researchmaterials science synthesisphotocathode development
Reference
Frequently Asked Questions
Common questions about NaSb, answered from cross-validated data.
What is NaSb?
Sodium antimonide is a binary intermetallic compound composed of sodium and antimony. It is primarily utilized in specialized materials research and as a precursor in the synthesis of various semiconductor or electronic materials.
More questions
What is NaSb used for?
NaSb is used in semiconductor research, materials science synthesis, and photocathode development.
What is the band gap of NaSb?
NaSb has a DFT-computed band gap of 0.60 eV across 30 reported structures.
Is NaSb a metal, semiconductor, or insulator?
With a band gap up to 0.60 eV it is a semiconductor.
Is NaSb thermodynamically stable?
Yes — NaSb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaSb?
The lowest-energy reported polymorph of NaSb is monoclinic symmetry, space group P21/c (No. 14).
What is the density of NaSb?
The computed density of the ground-state structure of NaSb is 4.03 g/cm³.
How many polymorphs of NaSb are known?
30 structures of NaSb are reported across 4 databases, spanning 11 distinct space groups.
What elements does NaSb contain?
NaSb contains Na and Sb (2 elements).
Where does the data for NaSb come from?
NaSb 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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