Mn2VPO7
Mn2VPO7 is a semiconducting transition-metal phosphate that is considered a promising candidate for synthesis and study in energy storage research.
About Mn2VPO7
Mn2VPO7 is a complex transition-metal phosphate that exhibits semiconducting electronic behavior. Its structural framework, composed of manganese, vanadium, phosphorus, and oxygen, is characterized by a high degree of stability that suggests it is a viable candidate for experimental synthesis and characterization.
This compound is of significant interest to researchers exploring new electrode materials. By leveraging the redox-active nature of its constituent transition metals, Mn2VPO7 serves as a platform for investigating ion transport and charge storage mechanisms in solid-state systems.
Key Properties
Cross-validated computational properties for Mn2VPO7, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Mn2VPO7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Mn2VPO7, 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. |
|---|---|---|---|---|---|
| — | — | 1.66 | 0.0000 | -2.439 | — |
| Cm (No. 8) | monoclinic | 0.48 | 0.0000 | -2.151 | — |
| Cm (No. 8) | monoclinic | 1.60 | 0.0021 | -8.593 | 3.63 |
| Cm (No. 8) | monoclinic | — | — | — | 3.63 |
| Cm (No. 8) | monoclinic | — | — | — | 3.77 |
| Cm (No. 8) | monoclinic | — | — | — | 3.98 |
Applications
Where Mn2VPO7 is used.
Frequently Asked Questions
Common questions about Mn2VPO7, answered from cross-validated data.
What is Mn2VPO7?
Mn2VPO7 is a semiconducting transition-metal phosphate that is considered a promising candidate for synthesis and study in energy storage research.
What is Mn2VPO7 used for?
What is the band gap of Mn2VPO7?
Is Mn2VPO7 a metal, semiconductor, or insulator?
Is Mn2VPO7 thermodynamically stable?
What is the crystal structure of Mn2VPO7?
How many polymorphs of Mn2VPO7 are known?
What elements does Mn2VPO7 contain?
Where does the data for Mn2VPO7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse family of transition-metal phosphates, Mn2VPO7 occupies a unique space compared to well-known olivine-structured materials like LiFePO4 or LiMnPO4. While those lithium-based phosphates are primary benchmarks for battery cathodes, Mn2VPO7 represents a more complex structural arrangement that distinguishes it from simpler pyrophosphates like TiP2O7, offering a different pathway for optimizing electrochemical performance.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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