Si2Ag6O7

Si2Ag6O7 is a metastable, semiconducting silver silicate compound of interest in advanced materials research.

AgOSi
Crystal structure of Si2Ag6O7 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Si2Ag6O7, aggregated across 3 databases.

Band Gap

0.17–0.33 eV
Range across DFT structures

Energy Above Hull

0.047 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Si2Ag6O7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic0.170.0467-5.6216.04
P21 (No. 4)monoclinic0.330.0492-5.6196.22
P2/c (No. 13)monoclinic0.310.0531-5.6156.35
C2/m (No. 12)
P2/c (No. 13)Monoclinic6.35
P2/c (No. 13)Monoclinic6.79
P2/c (No. 13)Monoclinic6.56
Reference

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.

More questions
What is the band gap of Si2Ag6O7?
Si2Ag6O7 has a DFT-computed band gap of 0.17–0.33 eV across 7 reported structures.
Is Si2Ag6O7 a metal, semiconductor, or insulator?
With a band gap up to 0.33 eV it is a semiconductor.
Is Si2Ag6O7 thermodynamically stable?
Si2Ag6O7 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of Si2Ag6O7?
The lowest-energy reported polymorph of Si2Ag6O7 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Si2Ag6O7?
The computed density of the ground-state structure of Si2Ag6O7 is 6.04 g/cm³.
How many polymorphs of Si2Ag6O7 are known?
7 structures of Si2Ag6O7 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Si2Ag6O7 contain?
Si2Ag6O7 contains Ag, O, and Si (3 elements).
Where does the data for Si2Ag6O7 come from?
Si2Ag6O7 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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