NaS2Sc
NaS2Sc is a stable, semiconducting ternary sulfide compound that is the subject of ongoing structural and electronic investigation.
About NaS2Sc
NaS2Sc is a ternary sulfide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system.
The material has garnered significant interest in structural research, with multiple distinct crystallographic arrangements documented across major materials databases. Its stability and electronic properties make it a subject of ongoing investigation for potential applications in specialized electronic or optoelectronic devices.
Key Properties
Cross-validated computational properties for NaS2Sc, 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 NaS2Sc, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.68 | 0.0000 | -9.760 | 2.73 |
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Applications
Where NaS2Sc is used.
Frequently Asked Questions
Common questions about NaS2Sc, answered from cross-validated data.
What is NaS2Sc?
NaS2Sc is a stable, semiconducting ternary sulfide compound that is the subject of ongoing structural and electronic investigation.
What is NaS2Sc used for?
What is the band gap of NaS2Sc?
Is NaS2Sc a metal, semiconductor, or insulator?
Is NaS2Sc thermodynamically stable?
What is the crystal structure of NaS2Sc?
What is the density of NaS2Sc?
How many polymorphs of NaS2Sc are known?
What elements does NaS2Sc contain?
Where does the data for NaS2Sc come from?
How It Compares
As a stable ternary sulfide, NaS2Sc serves as a fundamental example of complex chalcogenide chemistry. It occupies a distinct position in the landscape of sodium-based sulfides, providing a baseline for understanding how the integration of scandium influences the electronic and structural framework of these semiconducting materials.
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).
- alexandria — Data from alexandria.
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