Li4Nb4Rb8S16
Li4Nb4Rb8S16 is a stable, semiconducting quaternary sulfide compound composed of lithium, niobium, rubidium, and sulfur.
About Li4Nb4Rb8S16
Li4Nb4Rb8S16 is a quaternary sulfide compound that exhibits semiconducting electronic behavior. As a material residing on the thermodynamic convex hull, it demonstrates inherent stability, making it a subject of interest for structural characterization and solid-state research.
The compound is characterized by its complex arrangement of lithium, niobium, rubidium, and sulfur atoms. Its status as a stable phase suggests potential utility in specialized electronic or optoelectronic applications where specific semiconducting properties are required.
Key Properties
Cross-validated computational properties for Li4Nb4Rb8S16, 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 Li4Nb4Rb8S16, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.35 | 0.0000 | -5.287 | 2.80 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.56 |
Applications
Where Li4Nb4Rb8S16 is used.
Frequently Asked Questions
Common questions about Li4Nb4Rb8S16, answered from cross-validated data.
What is Li4Nb4Rb8S16?
Li4Nb4Rb8S16 is a stable, semiconducting quaternary sulfide compound composed of lithium, niobium, rubidium, and sulfur.
What is Li4Nb4Rb8S16 used for?
What is the band gap of Li4Nb4Rb8S16?
Is Li4Nb4Rb8S16 a metal, semiconductor, or insulator?
Is Li4Nb4Rb8S16 thermodynamically stable?
What is the crystal structure of Li4Nb4Rb8S16?
What is the density of Li4Nb4Rb8S16?
How many polymorphs of Li4Nb4Rb8S16 are known?
What elements does Li4Nb4Rb8S16 contain?
Where does the data for Li4Nb4Rb8S16 come from?
How It Compares
As a unique quaternary sulfide, Li4Nb4Rb8S16 occupies a distinct position in materials science. Unlike simpler binary or ternary sulfides, this compound leverages a complex stoichiometry to maintain thermodynamic stability, serving as a valuable reference point for understanding how alkali and transition metal combinations influence electronic performance in multinary chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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