Si2Ag6O7
Si2Ag6O7 is a metastable, semiconducting silver silicate compound of interest in advanced materials research.
About Si2Ag6O7
Si2Ag6O7 is a complex, metastable silver silicate compound that exhibits semiconducting electronic behavior. Its structural arrangement is characterized by a delicate balance between the silver cations and the silicate framework, making it a subject of interest for fundamental materials research.
Due to its metastable nature, this compound represents a specialized phase that requires precise synthetic conditions. It serves as an intriguing example of how silver-based oxides can deviate from conventional insulating behaviors to adopt semiconducting characteristics.
Key Properties
Cross-validated computational properties for Si2Ag6O7, 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 Si2Ag6O7. 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 Si2Ag6O7, 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/m (No. 12) | monoclinic | 0.22 | 0.0208 | -1.243 | — |
| — | — | 0.33 | 0.0443 | -1.325 | — |
| — | — | 0.44 | 0.0453 | -1.324 | — |
| C2/m (No. 12) | monoclinic | 0.18 | 0.0467 | -5.621 | 6.04 |
| P21 (No. 4) | monoclinic | 0.28 | 0.0492 | -5.619 | 6.22 |
| P2/c (No. 13) | monoclinic | 0.30 | 0.0531 | -5.615 | 6.35 |
| P21 (No. 4) | monoclinic | — | — | — | 6.57 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.40 |
| P2/c (No. 13) | monoclinic | — | — | — | 6.65 |
| P2/c (No. 13) | monoclinic | — | — | — | 6.56 |
| P2/c (No. 13) | monoclinic | — | — | — | 6.79 |
| P2/c (No. 13) | monoclinic | — | — | — | 6.35 |
Frequently Asked Questions
Common questions about Si2Ag6O7, answered from cross-validated data.
What is Si2Ag6O7?
Si2Ag6O7 is a metastable, semiconducting silver silicate compound of interest in advanced materials research.
What is the band gap of Si2Ag6O7?
Is Si2Ag6O7 a metal, semiconductor, or insulator?
Is Si2Ag6O7 thermodynamically stable?
What is the crystal structure of Si2Ag6O7?
What is the density of Si2Ag6O7?
How many polymorphs of Si2Ag6O7 are known?
What elements does Si2Ag6O7 contain?
Where does the data for Si2Ag6O7 come from?
How It Compares
As a unique silver silicate, Si2Ag6O7 occupies a distinct niche in materials science, representing a specialized inorganic phase that highlights the structural diversity possible within silver-oxygen-silicon systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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