Mo2O5

Molybdenum pentoxide

Molybdenum pentoxide is a binary oxide of molybdenum that exists as a dark-colored solid. It is primarily studied for its potential roles in catalytic processes and as a precursor material for the development of advanced electronic and energy storage components.

Crystal structure of Mo2O5 (orthorhombic, Pmmn (No. 59))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Mo2O5, aggregated across 4 databases.

Band Gap

0.76–1.51 eV
Range across DFT structures

Energy Above Hull

0.078 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

41
4 databases, 9 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mo2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pmmn (No. 59)orthorhombic0.760.0783-8.5224.28
Cmcm (No. 63)orthorhombic1.510.1096-8.4903.26
Pbam (No. 55)orthorhombic0.000.2047-8.3954.11
Pmmn (No. 59)Orthorhombic5.14
C2 (No. 5)Monoclinic7.08
Cmmm (No. 65)
C2/m (No. 12)Monoclinic8.29
Cmcm (No. 63)
Cmcm (No. 63)Orthorhombic3.87
P-1 (No. 2)Triclinic3.66
P-1 (No. 2)Triclinic4.50
Cm (No. 8)Monoclinic3.85
Uses

Applications

Where Mo2O5 is used.

CatalysisChemical synthesisMaterials science researchSemiconductor development
Reference

Frequently Asked Questions

Common questions about Mo2O5, answered from cross-validated data.

What is Mo2O5?

Molybdenum pentoxide is a binary oxide of molybdenum that exists as a dark-colored solid. It is primarily studied for its potential roles in catalytic processes and as a precursor material for the development of advanced electronic and energy storage components.

More questions
What is Mo2O5 used for?
Mo2O5 is used in catalysis, chemical synthesis, materials science research, and semiconductor development.
What is the band gap of Mo2O5?
Mo2O5 has a DFT-computed band gap of 0.76–1.51 eV across 41 reported structures.
Is Mo2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.51 eV it is a semiconductor.
Is Mo2O5 thermodynamically stable?
Mo2O5 has a lowest energy above hull of 0.078 eV/atom (metastable).
What is the crystal structure of Mo2O5?
The lowest-energy reported polymorph of Mo2O5 is orthorhombic symmetry, space group Pmmn (No. 59).
What is the density of Mo2O5?
The computed density of the ground-state structure of Mo2O5 is 4.28 g/cm³.
How many polymorphs of Mo2O5 are known?
41 structures of Mo2O5 are reported across 4 databases, spanning 9 distinct space groups.
What elements does Mo2O5 contain?
Mo2O5 contains Mo and O (2 elements).
Where does the data for Mo2O5 come from?
Mo2O5 data is cross-referenced from materials_project, mpaloe, jarvis.
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Related Compounds

Other Conversion Oxide Anodes in the database.

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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