MoHO3
MoHO3 is a metastable, semiconducting hydrogen-molybdenum-oxide compound studied for its complex structural properties.
About MoHO3
MoHO3 is a metastable hydrogen-molybdenum-oxide compound that exhibits semiconducting electronic behavior. Its structural complexity is highlighted by its presence in multiple distinct crystallographic configurations across research databases, marking it as a subject of interest for fundamental solid-state studies.
Because it exists in a metastable state, this compound offers unique pathways for phase transformation and chemical reactivity. Researchers investigate such materials to understand how hydrogen incorporation influences the electronic landscape of transition metal oxides, potentially unlocking new functional characteristics for future electronic or catalytic applications.
Key Properties
Cross-validated computational properties for MoHO3, 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 MoHO3, 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 (No. 5) | monoclinic | 0.76 | 0.0905 | -7.487 | 4.10 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.10 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.58 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.25 |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where MoHO3 is used.
Frequently Asked Questions
Common questions about MoHO3, answered from cross-validated data.
What is MoHO3?
MoHO3 is a metastable, semiconducting hydrogen-molybdenum-oxide compound studied for its complex structural properties.
What is MoHO3 used for?
What is the band gap of MoHO3?
Is MoHO3 a metal, semiconductor, or insulator?
Is MoHO3 thermodynamically stable?
What is the crystal structure of MoHO3?
What is the density of MoHO3?
How many polymorphs of MoHO3 are known?
What elements does MoHO3 contain?
Where does the data for MoHO3 come from?
How It Compares
As a unique hydrogen-bearing molybdenum oxide, MoHO3 represents a specialized niche within the broader family of transition metal oxides. While many molybdenum oxides are known for their stable, highly conductive phases, this compound stands out due to its metastable nature and specific electronic character, providing a distinct structural profile that differentiates it from more common, highly stable oxide counterparts.
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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