Cl4N6S4V2
This inorganic compound is a complex coordination species containing vanadium, sulfur, nitrogen, and chlorine. It is primarily utilized in academic research settings as a precursor or model system for investigating the structural and electronic properties of metal-sulfur-nitrogen clusters.
Key Properties
Cross-validated computational properties for Cl4N6S4V2, 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 Cl4N6S4V2, 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 | 0.86 | 0.2712 | -6.297 | 2.23 |
| P-1 (No. 2) | triclinic | 0.81 | 0.2754 | -6.293 | 2.26 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.15 |
Applications
Where Cl4N6S4V2 is used.
Frequently Asked Questions
Common questions about Cl4N6S4V2, answered from cross-validated data.
What is Cl4N6S4V2?
This inorganic compound is a complex coordination species containing vanadium, sulfur, nitrogen, and chlorine. It is primarily utilized in academic research settings as a precursor or model system for investigating the structural and electronic properties of metal-sulfur-nitrogen clusters.
What is Cl4N6S4V2 used for?
What is the band gap of Cl4N6S4V2?
Is Cl4N6S4V2 a metal, semiconductor, or insulator?
Is Cl4N6S4V2 thermodynamically stable?
What is the crystal structure of Cl4N6S4V2?
What is the density of Cl4N6S4V2?
How many polymorphs of Cl4N6S4V2 are known?
What elements does Cl4N6S4V2 contain?
Where does the data for Cl4N6S4V2 come from?
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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