Na3SbSe3
Na3SbSe3 is a stable, semiconducting ternary chalcogenide compound used in materials science research.
About Na3SbSe3
Na3SbSe3 is a semiconducting ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its structural integrity and electronic nature make it a subject of interest for researchers investigating complex chalcogenide systems. The material is characterized by a well-defined atomic arrangement that supports its stable configuration within the broader family of chalcogenide compounds. It serves as a foundational material for exploring the interplay between alkali metal cations and antimony-selenium frameworks. By providing a stable platform for electronic modulation, this compound is relevant for advanced studies in thermoelectric materials and solid-state chemistry. Its presence in multiple structural databases highlights its significance as a distinct member of the chalcogenide class.
Key Properties
Cross-validated computational properties for Na3SbSe3, 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 Na3SbSe3, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 2.00 | 0.0000 | -12.330 | 3.91 |
| P213 (No. 198) | Cubic | — | — | — | 3.78 |
| P213 (No. 198) | Cubic | — | — | — | 3.89 |
| P213 (No. 198) | Cubic | — | — | — | 3.87 |
| P213 (No. 198) | — | — | — | — | — |
Applications
Where Na3SbSe3 is used.
Frequently Asked Questions
Common questions about Na3SbSe3, answered from cross-validated data.
What is Na3SbSe3?
Na3SbSe3 is a stable, semiconducting ternary chalcogenide compound used in materials science research.
What is Na3SbSe3 used for?
What is the band gap of Na3SbSe3?
Is Na3SbSe3 a metal, semiconductor, or insulator?
Is Na3SbSe3 thermodynamically stable?
What is the crystal structure of Na3SbSe3?
What is the density of Na3SbSe3?
How many polymorphs of Na3SbSe3 are known?
What elements does Na3SbSe3 contain?
Where does the data for Na3SbSe3 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Unlike the more widely recognized binary thermoelectric standards such as Bi2Te3 or Sb2Te3, Na3SbSe3 incorporates alkali metal sodium to modify its electronic and structural properties. While members like Bi2Te3 are heavily utilized for their optimized performance in cooling and power generation, Na3SbSe3 offers a different structural motif that expands the chemical space of the class, providing a unique alternative to the more traditional binary and ternary chalcogenides.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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