Na6ZnSe4
Na6ZnSe4 is a thermodynamically stable semiconducting compound containing sodium, zinc, and selenium.
About Na6ZnSe4
Na6ZnSe4 is a complex inorganic compound composed of sodium, zinc, and selenium. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its chemical system.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating electronic and optical properties in chalcogenide systems. Its stability suggests potential for integration into specialized material synthesis and solid-state applications.
Key Properties
Cross-validated computational properties for Na6ZnSe4, 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 Na6ZnSe4, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.67 | 0.0000 | -3.293 | 3.24 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.21 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.12 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.23 |
Frequently Asked Questions
Common questions about Na6ZnSe4, answered from cross-validated data.
What is Na6ZnSe4?
Na6ZnSe4 is a thermodynamically stable semiconducting compound containing sodium, zinc, and selenium.
What is the band gap of Na6ZnSe4?
Is Na6ZnSe4 a metal, semiconductor, or insulator?
Is Na6ZnSe4 thermodynamically stable?
What is the crystal structure of Na6ZnSe4?
What is the density of Na6ZnSe4?
How many polymorphs of Na6ZnSe4 are known?
What elements does Na6ZnSe4 contain?
Where does the data for Na6ZnSe4 come from?
How It Compares
As a distinct member of the sodium-zinc-selenium system, Na6ZnSe4 occupies a unique position characterized by its thermodynamic stability. Unlike less stable phases that may require specific conditions for synthesis, this compound represents a robust structural configuration that serves as a benchmark for understanding the electronic behavior of ternary chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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