Na2Nb2Se4
Na2Nb2Se4 is a thermodynamically stable semiconducting compound containing sodium, niobium, and selenium.
About Na2Nb2Se4
Na2Nb2Se4 is a semiconducting ternary chalcogenide composed of sodium, niobium, and selenium. Its position on the thermodynamic convex hull indicates high structural stability, making it a robust candidate for materials research in the solid-state chemistry domain. The compound is characterized by its distinct electronic behavior, which is typical of complex niobium-based chalcogenides. Its structural integrity suggests potential utility in applications requiring reliable semiconductor performance under varied conditions. As a data-rich material with multiple reported structures, it remains a subject of interest for researchers investigating new functional inorganic materials.
Key Properties
Cross-validated computational properties for Na2Nb2Se4, 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 Na2Nb2Se4, 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 | 0.50 | 0.0000 | -15.414 | 5.55 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0461 | -16.831 | 4.89 |
| — | — | — | — | — | 3.71 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where Na2Nb2Se4 is used.
Frequently Asked Questions
Common questions about Na2Nb2Se4, answered from cross-validated data.
What is Na2Nb2Se4?
Na2Nb2Se4 is a thermodynamically stable semiconducting compound containing sodium, niobium, and selenium.
What is Na2Nb2Se4 used for?
What is the band gap of Na2Nb2Se4?
Is Na2Nb2Se4 a metal, semiconductor, or insulator?
Is Na2Nb2Se4 thermodynamically stable?
What is the crystal structure of Na2Nb2Se4?
What is the density of Na2Nb2Se4?
How many polymorphs of Na2Nb2Se4 are known?
What elements does Na2Nb2Se4 contain?
Where does the data for Na2Nb2Se4 come from?
How It Compares
As a unique member of the niobium-chalcogenide family, Na2Nb2Se4 serves as an important reference point for understanding the interplay between alkali metal incorporation and transition metal coordination. It occupies a distinct space within the broader class of semiconducting chalcogenides, offering a stable framework that differentiates it from less thermodynamically favored phases.
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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