Mo2H2O7
Mo2H2O7 is a semiconducting molybdenum-based compound that exists in a metastable state and is primarily studied for its structural properties in inorganic chemistry research.
About Mo2H2O7
Mo2H2O7 is a complex molybdenum-based compound characterized by its semiconducting electronic nature. Its unique composition of hydrogen, molybdenum, and oxygen places it in a niche category of inorganic materials that are frequently investigated for their potential in specialized chemical synthesis and catalytic pathways.
Despite its existence across multiple structural databases, the compound is identified as being thermodynamically unstable relative to its constituent phases. This metastability is a key focus for researchers studying phase transitions and the synthesis of complex oxides under non-equilibrium conditions.
Key Properties
Cross-validated computational properties for Mo2H2O7, 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 Mo2H2O7, 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 (No. 4) | monoclinic | 2.26 | 0.1297 | -7.357 | 3.93 |
| P21/m (No. 11) | monoclinic | 2.24 | 0.1411 | -7.346 | 3.84 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.84 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.28 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.95 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.93 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.39 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.04 |
| P21/m (No. 11) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where Mo2H2O7 is used.
Frequently Asked Questions
Common questions about Mo2H2O7, answered from cross-validated data.
What is Mo2H2O7?
Mo2H2O7 is a semiconducting molybdenum-based compound that exists in a metastable state and is primarily studied for its structural properties in inorganic chemistry research.
What is Mo2H2O7 used for?
What is the band gap of Mo2H2O7?
Is Mo2H2O7 a metal, semiconductor, or insulator?
Is Mo2H2O7 thermodynamically stable?
What is the crystal structure of Mo2H2O7?
What is the density of Mo2H2O7?
How many polymorphs of Mo2H2O7 are known?
What elements does Mo2H2O7 contain?
Where does the data for Mo2H2O7 come from?
How It Compares
As a unique inorganic compound, Mo2H2O7 occupies a distinct position in materials science where its semiconducting behavior and metastable nature define its utility. Unlike more robust, thermodynamically stable oxides, this material serves as an important case study for understanding the synthesis challenges and structural diversity inherent in complex molybdenum-hydrogen-oxygen systems.
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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