Na12Sb4
Na12Sb4 is a stable semiconducting compound formed from sodium and antimony.
About Na12Sb4
Na12Sb4 is a distinct intermetallic compound composed of sodium and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating the interplay between alkali metals and pnictogens. Its existence across multiple reported structures highlights its significance in fundamental materials science.
Key Properties
Cross-validated computational properties for Na12Sb4, 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.
Reported Structures
Lowest-energy structures reported for Na12Sb4, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.39 | 0.0000 | -9.669 | 2.73 |
| — | — | — | — | — | 2.35 |
| P63/mmc (No. 194) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Na12Sb4, answered from cross-validated data.
What is Na12Sb4?
Na12Sb4 is a stable semiconducting compound formed from sodium and antimony.
What is the band gap of Na12Sb4?
Is Na12Sb4 a metal, semiconductor, or insulator?
Is Na12Sb4 thermodynamically stable?
What is the crystal structure of Na12Sb4?
What is the density of Na12Sb4?
How many polymorphs of Na12Sb4 are known?
What elements does Na12Sb4 contain?
Where does the data for Na12Sb4 come from?
How It Compares
As a thermodynamically stable phase, Na12Sb4 serves as a foundational reference point for understanding the phase space of sodium-antimony systems, where its specific stoichiometry dictates its unique electronic and structural behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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