SiAgO
This compound is a complex inorganic material consisting of silver, silicon, and oxygen. It is primarily studied in the context of advanced materials research for its potential electronic or catalytic properties.
AgOSi
Overview
Key Properties
Cross-validated computational properties for SiAgO, 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.
0.67 eV
Range across DFT structures
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.
0.020 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SiAgO, 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. |
|---|---|---|---|---|---|
| P42/n (No. 86) | tetragonal | 0.67 | 0.0196 | -5.347 | 5.81 |
| P42/n (No. 86) | tetragonal | 0.00 | 1.1702 | -4.995 | 4.30 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.44 |
| P1 (No. 1) | Triclinic | — | — | — | 6.34 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.99 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.42 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.52 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.28 |
| P-6m2 (No. 187) | — | — | — | — | — |
Uses
Applications
Where SiAgO is used.
Materials science researchCatalysis studiesElectronic component development
Reference
Frequently Asked Questions
Common questions about SiAgO, answered from cross-validated data.
What is SiAgO?
This compound is a complex inorganic material consisting of silver, silicon, and oxygen. It is primarily studied in the context of advanced materials research for its potential electronic or catalytic properties.
More questions
What is SiAgO used for?
SiAgO is used in materials science research, catalysis studies, and electronic component development.
What is the band gap of SiAgO?
SiAgO has a DFT-computed band gap of 0.67 eV across 9 reported structures.
Is SiAgO a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is SiAgO thermodynamically stable?
SiAgO has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
What is the crystal structure of SiAgO?
The lowest-energy reported polymorph of SiAgO is tetragonal symmetry, space group P42/n (No. 86).
What is the density of SiAgO?
The computed density of the ground-state structure of SiAgO is 5.81 g/cm³.
How many polymorphs of SiAgO are known?
9 structures of SiAgO are reported across 3 databases, spanning 5 distinct space groups.
What elements does SiAgO contain?
SiAgO contains Ag, O, and Si (3 elements).
Where does the data for SiAgO come from?
SiAgO data is cross-referenced from materials_project, mpaloe, jarvis.
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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