Ag4Nb8P4S40
Ag4Nb8P4S40 is a semiconducting quaternary sulfide compound that is theoretically stable enough to be a target for synthesis.
About Ag4Nb8P4S40
Ag4Nb8P4S40 is a complex quaternary sulfide containing silver, niobium, phosphorus, and sulfur. As a semiconducting material, it represents a specialized chemical system that bridges the properties of transition metal sulfides and phosphorus-based frameworks.
The compound is considered thermodynamically near-hull, suggesting it is a viable candidate for experimental synthesis and characterization. Its unique stoichiometry makes it an intriguing subject for investigating electronic behavior in multi-element chalcogenide lattices.
Key Properties
Cross-validated computational properties for Ag4Nb8P4S40, 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 Ag4Nb8P4S40, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.11 | 0.0033 | -5.885 | 3.16 |
| C2/c (No. 15) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.44 |
Applications
Where Ag4Nb8P4S40 is used.
Frequently Asked Questions
Common questions about Ag4Nb8P4S40, answered from cross-validated data.
What is Ag4Nb8P4S40?
Ag4Nb8P4S40 is a semiconducting quaternary sulfide compound that is theoretically stable enough to be a target for synthesis.
What is Ag4Nb8P4S40 used for?
What is the band gap of Ag4Nb8P4S40?
Is Ag4Nb8P4S40 a metal, semiconductor, or insulator?
Is Ag4Nb8P4S40 thermodynamically stable?
What is the crystal structure of Ag4Nb8P4S40?
What is the density of Ag4Nb8P4S40?
How many polymorphs of Ag4Nb8P4S40 are known?
What elements does Ag4Nb8P4S40 contain?
Where does the data for Ag4Nb8P4S40 come from?
How It Compares
As a unique quaternary compound, Ag4Nb8P4S40 serves as a distinct entry in the landscape of complex sulfide materials, providing a baseline for understanding how the integration of silver and niobium influences the semiconducting nature of phosphorus-sulfur networks.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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