VCu3S4
VCu3S4 is a stable, semiconducting ternary sulfide compound composed of copper, vanadium, and sulfur.
About VCu3S4
VCu3S4 is a complex ternary sulfide that exhibits semiconducting behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the copper-vanadium-sulfur system.
Its structural integrity and electronic characteristics make it a subject of interest for researchers investigating new functional sulfides. The compound is well-documented across multiple databases, reflecting its significance in the study of stable chalcogenide materials.
Key Properties
Cross-validated computational properties for VCu3S4, 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 VCu3S4, 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-43m (No. 215) | cubic | 1.04 | 0.0000 | -5.598 | 3.97 |
| P-43m (No. 215) | Cubic | — | — | — | 3.88 |
| P-43m (No. 215) | Cubic | — | — | — | 3.97 |
| P-43m (No. 215) | Cubic | — | — | — | 3.93 |
| P-43m (No. 215) | — | — | — | — | — |
Applications
Where VCu3S4 is used.
Frequently Asked Questions
Common questions about VCu3S4, answered from cross-validated data.
What is VCu3S4?
VCu3S4 is a stable, semiconducting ternary sulfide compound composed of copper, vanadium, and sulfur.
What is VCu3S4 used for?
What is the band gap of VCu3S4?
Is VCu3S4 a metal, semiconductor, or insulator?
Is VCu3S4 thermodynamically stable?
What is the crystal structure of VCu3S4?
What is the density of VCu3S4?
How many polymorphs of VCu3S4 are known?
What elements does VCu3S4 contain?
Where does the data for VCu3S4 come from?
How It Compares
As a unique ternary sulfide, VCu3S4 occupies a distinct position in the landscape of copper-based chalcogenides. It serves as a benchmark for stability in its specific elemental combination, providing a foundation for understanding how vanadium integration influences the electronic properties of copper-sulfur frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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