V2Cu3H6O11
V2Cu3H6O11 is a metastable, semimetallic inorganic compound composed of vanadium, copper, hydrogen, and oxygen.
About V2Cu3H6O11
V2Cu3H6O11 is a complex inorganic compound characterized by its near-zero-gap electronic structure, placing it in the category of semimetallic materials. Its composition, involving vanadium, copper, hydrogen, and oxygen, suggests a nuanced electronic environment that is highly sensitive to atomic configuration.
As a metastable phase, this compound represents a unique state of matter that requires precise synthesis conditions to stabilize. With multiple reported structures across various databases, it remains a subject of significant interest for researchers investigating the interplay between transition metals and hydrogen in solid-state systems.
Key Properties
Cross-validated computational properties for V2Cu3H6O11, aggregated across 4 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 V2Cu3H6O11, 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/m (No. 12) | monoclinic | 0.00 | 0.0295 | -6.270 | 3.41 |
| Cc (No. 9) | monoclinic | 0.08 | 0.0332 | -6.266 | 3.38 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0457 | -6.253 | 3.38 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.41 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.48 |
| No. 0 | unknown | — | — | — | 0.88 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.60 |
| C2/m (No. 12) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 3.59 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.38 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.46 |
Frequently Asked Questions
Common questions about V2Cu3H6O11, answered from cross-validated data.
What is V2Cu3H6O11?
V2Cu3H6O11 is a metastable, semimetallic inorganic compound composed of vanadium, copper, hydrogen, and oxygen.
What is the band gap of V2Cu3H6O11?
Is V2Cu3H6O11 a metal, semiconductor, or insulator?
Is V2Cu3H6O11 thermodynamically stable?
What is the crystal structure of V2Cu3H6O11?
What is the density of V2Cu3H6O11?
How many polymorphs of V2Cu3H6O11 are known?
What elements does V2Cu3H6O11 contain?
Where does the data for V2Cu3H6O11 come from?
How It Compares
As a unique inorganic phase with no direct structural siblings currently classified alongside it, V2Cu3H6O11 stands as a distinct entry in materials databases. Its semimetallic nature distinguishes it from more conventional insulating or metallic oxides, marking it as a specialized candidate for studies into unconventional electronic behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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