H40O40S4V4
H40O40S4V4 is a wide-band-gap insulating compound that displays sufficient thermodynamic stability to be considered a viable target for synthesis.
About H40O40S4V4
H40O40S4V4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its structural composition suggests a distinct arrangement of hydrogen, oxygen, sulfur, and vanadium, marking it as a subject of interest for fundamental materials science exploration. The compound exhibits near-hull thermodynamic stability, indicating it is a viable candidate for synthesis and experimental verification in controlled laboratory environments. This stability, combined with its electronic properties, positions it as a noteworthy entry in structural databases for researchers investigating insulating materials. Its potential utility lies in its specific electronic character, which is often sought after in applications requiring stable, non-conductive inorganic frameworks. As a material that occupies a near-hull energy state, it serves as a valuable case study for understanding the formation and structural diversity of complex hydrated vanadium-sulfur systems.
Key Properties
Cross-validated computational properties for H40O40S4V4, 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 H40O40S4V4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.08 | 0.0068 | -5.937 | 1.99 |
| Pmn21 (No. 31) | orthorhombic | 3.42 | 0.0103 | -5.933 | 1.97 |
| Pmn21 (No. 31) | orthorhombic | 3.13 | 0.0280 | -5.915 | 1.94 |
| Pmn21 (No. 31) | orthorhombic | 1.17 | 0.5243 | -5.419 | 1.36 |
| — | — | — | — | — | 2.00 |
| — | — | — | — | — | 2.00 |
| — | — | — | — | — | 2.00 |
| No. 0 | unknown | — | — | — | 0.51 |
Applications
Where H40O40S4V4 is used.
Frequently Asked Questions
Common questions about H40O40S4V4, answered from cross-validated data.
What is H40O40S4V4?
H40O40S4V4 is a wide-band-gap insulating compound that displays sufficient thermodynamic stability to be considered a viable target for synthesis.
What is H40O40S4V4 used for?
What is the band gap of H40O40S4V4?
Is H40O40S4V4 a metal, semiconductor, or insulator?
Is H40O40S4V4 thermodynamically stable?
What is the crystal structure of H40O40S4V4?
What is the density of H40O40S4V4?
How many polymorphs of H40O40S4V4 are known?
What elements does H40O40S4V4 contain?
Where does the data for H40O40S4V4 come from?
How It Compares
As an unclassified material with no direct structural siblings currently identified in this specific grouping, H40O40S4V4 stands as a unique representative of its chemical composition. It serves as a benchmark for future discovery within this chemical space, offering a distinct electronic and structural profile that distinguishes it from more common vanadium-based insulators.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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