Na6ZnS4
This compound is a complex sodium zinc sulfide material typically studied for its structural properties in solid-state chemistry. It is primarily utilized as a precursor or model system in research focused on the development of advanced ionic conductors and sulfide-based materials.
Key Properties
Cross-validated computational properties for Na6ZnS4, 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 Na6ZnS4, 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 | 2.16 | 0.0000 | -6.918 | 2.35 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.33 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.27 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.34 |
Applications
Where Na6ZnS4 is used.
Frequently Asked Questions
Common questions about Na6ZnS4, answered from cross-validated data.
What is Na6ZnS4?
This compound is a complex sodium zinc sulfide material typically studied for its structural properties in solid-state chemistry. It is primarily utilized as a precursor or model system in research focused on the development of advanced ionic conductors and sulfide-based materials.
What is Na6ZnS4 used for?
What is the band gap of Na6ZnS4?
Is Na6ZnS4 a metal, semiconductor, or insulator?
Is Na6ZnS4 thermodynamically stable?
What is the crystal structure of Na6ZnS4?
What is the density of Na6ZnS4?
How many polymorphs of Na6ZnS4 are known?
What elements does Na6ZnS4 contain?
Where does the data for Na6ZnS4 come from?
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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