Ca2H38O46V10
Ca2H38O46V10 is a metastable, semiconducting compound containing calcium, hydrogen, oxygen, and vanadium.
About Ca2H38O46V10
Ca2H38O46V10 is a complex inorganic compound composed of calcium, hydrogen, oxygen, and vanadium. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic or insulating oxides, making it a subject of interest for fundamental materials research.
This compound is characterized as metastable, suggesting it exists in a specific structural state that requires precise synthesis conditions to maintain. Its intricate composition highlights the diversity of vanadium-based chemistry and the potential for discovering novel functional materials within complex hydrated systems.
Key Properties
Cross-validated computational properties for Ca2H38O46V10, 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 Ca2H38O46V10, 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 | 2.34 | 0.0297 | -6.440 | 2.32 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.17 |
Frequently Asked Questions
Common questions about Ca2H38O46V10, answered from cross-validated data.
What is Ca2H38O46V10?
Ca2H38O46V10 is a metastable, semiconducting compound containing calcium, hydrogen, oxygen, and vanadium.
What is the band gap of Ca2H38O46V10?
Is Ca2H38O46V10 a metal, semiconductor, or insulator?
Is Ca2H38O46V10 thermodynamically stable?
What is the crystal structure of Ca2H38O46V10?
What is the density of Ca2H38O46V10?
How many polymorphs of Ca2H38O46V10 are known?
What elements does Ca2H38O46V10 contain?
Where does the data for Ca2H38O46V10 come from?
How It Compares
As a unique inorganic assembly, Ca2H38O46V10 represents a specialized structural motif within the broader landscape of vanadium-oxygen frameworks. While many vanadium compounds are studied for their redox capabilities, this specific stoichiometry occupies a distinct niche, serving as a reference point for understanding how hydration and calcium coordination influence the electronic behavior of complex vanadium-based semiconductors.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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