Ag2Mo2O7
Ag2Mo2O7 is a stable, semiconducting silver molybdate compound characterized by its structural robustness and potential for electronic applications.
About Ag2Mo2O7
Ag2Mo2O7 is a silver-based molybdate that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, making it an interesting candidate for materials research where structural integrity is paramount. Its composition of silver, molybdenum, and oxygen allows for unique structural arrangements that are documented across multiple crystallographic configurations. This stability suggests potential for long-term performance in specialized electronic or catalytic environments where phase consistency is required.
Key Properties
Cross-validated computational properties for Ag2Mo2O7, aggregated across 4 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 Ag2Mo2O7. 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 Ag2Mo2O7, 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 | 1.91 | 0.0000 | -7.145 | 5.93 |
| — | — | 1.87 | 0.0000 | -1.664 | — |
| P-1 (No. 2) | triclinic | 1.65 | 0.0000 | -1.625 | — |
| P21/c (No. 14) | monoclinic | 1.88 | 0.0009 | -7.144 | 5.48 |
| P-1 (No. 2) | triclinic | — | — | — | 5.87 |
| P-1 (No. 2) | triclinic | — | — | — | 5.87 |
Applications
Where Ag2Mo2O7 is used.
Frequently Asked Questions
Common questions about Ag2Mo2O7, answered from cross-validated data.
What is Ag2Mo2O7?
Ag2Mo2O7 is a stable, semiconducting silver molybdate compound characterized by its structural robustness and potential for electronic applications.
What is Ag2Mo2O7 used for?
What is the band gap of Ag2Mo2O7?
Is Ag2Mo2O7 a metal, semiconductor, or insulator?
Is Ag2Mo2O7 thermodynamically stable?
What is the crystal structure of Ag2Mo2O7?
What is the density of Ag2Mo2O7?
How many polymorphs of Ag2Mo2O7 are known?
What elements does Ag2Mo2O7 contain?
Where does the data for Ag2Mo2O7 come from?
How It Compares
As a thermodynamically stable member of the silver molybdate family, Ag2Mo2O7 serves as a benchmark for structural reliability within this class of materials. Its position on the convex hull distinguishes it as a highly favorable phase, providing a foundation for understanding how silver and molybdenum interactions influence the semiconducting properties of similar complex oxides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze Ag2Mo2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →