V6H4O13
V6H4O13 is a semiconducting hydrogen vanadium oxide that exists as a metastable phase of interest in materials science research.
About V6H4O13
V6H4O13 is a complex hydrogen vanadium oxide characterized by its semiconducting electronic behavior. As a compound containing hydrogen, oxygen, and vanadium, it represents a specialized stoichiometry within the broader family of vanadium-based oxides.
Despite its status as a thermodynamically metastable phase situated above the hull, this material has been the subject of significant structural investigation. Its existence across multiple databases highlights its importance in understanding the diverse phase space of vanadium oxides.
Key Properties
Cross-validated computational properties for V6H4O13, 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 V6H4O13, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.1002 | -7.863 | 3.45 |
| C2/m (No. 12) | monoclinic | 0.63 | 0.1053 | -7.858 | 3.39 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1201 | -7.843 | 3.47 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.47 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.81 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.45 |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.39 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.77 |
| C2 (No. 5) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 3.59 |
Applications
Where V6H4O13 is used.
Frequently Asked Questions
Common questions about V6H4O13, answered from cross-validated data.
What is V6H4O13?
V6H4O13 is a semiconducting hydrogen vanadium oxide that exists as a metastable phase of interest in materials science research.
What is V6H4O13 used for?
What is the band gap of V6H4O13?
Is V6H4O13 a metal, semiconductor, or insulator?
Is V6H4O13 thermodynamically stable?
What is the crystal structure of V6H4O13?
What is the density of V6H4O13?
How many polymorphs of V6H4O13 are known?
What elements does V6H4O13 contain?
Where does the data for V6H4O13 come from?
How It Compares
As a unique hydrogen-containing vanadium oxide, V6H4O13 serves as an intriguing case study in structural complexity. While it lacks direct siblings in this specific dataset, it represents the broader class of metastable vanadium-based materials that challenge conventional synthesis pathways.
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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