Ag2CO3
Silver carbonate · Silver(I) carbonate
Silver carbonate is a stable, semiconducting inorganic compound primarily used as a versatile reagent in organic synthesis and catalytic applications.
About Silver carbonate
Silver carbonate is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it serves as a reliable precursor in various chemical transformations and synthetic pathways. Its structural integrity makes it a subject of significant interest in materials science research. The compound is frequently utilized in specialized chemical synthesis, particularly where silver-based reagents are required to facilitate specific organic reactions. Its role is defined by its ability to act as a mild oxidizing agent and a source of silver ions, which are essential for driving complex molecular assembly in laboratory and industrial settings.
Key Properties
Cross-validated computational properties for Silver carbonate, aggregated across 5 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 Ag2CO3. 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 Ag2CO3, 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. |
|---|---|---|---|---|---|
| — | — | 0.71 | 0.0000 | -0.946 | — |
| P21/m (No. 11) | monoclinic | 0.61 | 0.0000 | -0.815 | — |
| P21/m (No. 11) | monoclinic | 0.47 | 0.0000 | -6.050 | 6.10 |
| — | — | 0.96 | 0.0170 | -0.929 | — |
| P31c (No. 159) | trigonal | 0.75 | 0.0268 | -6.023 | 6.06 |
| Ima2 (No. 46) | orthorhombic | 0.45 | 0.0275 | -6.022 | 5.54 |
| P-6 (No. 174) | hexagonal | 0.53 | 0.0288 | -0.786 | — |
| P-6 (No. 174) | hexagonal | 0.00 | 0.0296 | -6.020 | 5.55 |
| Pmc21 (No. 26) | orthorhombic | 0.59 | 0.0297 | -6.020 | 5.43 |
| P21/m (No. 11) | monoclinic | — | — | — | 5.70 |
| P31c (No. 159) | trigonal | — | — | — | 5.79 |
| P21/m (No. 11) | monoclinic | — | — | — | 5.92 |
Applications
Where Silver carbonate is used.
Frequently Asked Questions
Common questions about Silver carbonate, answered from cross-validated data.
What is Ag2CO3?
Silver carbonate is a stable, semiconducting inorganic compound primarily used as a versatile reagent in organic synthesis and catalytic applications.
What is Ag2CO3 used for?
What is the band gap of Ag2CO3?
Is Ag2CO3 a metal, semiconductor, or insulator?
Is Ag2CO3 thermodynamically stable?
What is the crystal structure of Ag2CO3?
How many polymorphs of Ag2CO3 are known?
What elements does Ag2CO3 contain?
Where does the data for Ag2CO3 come from?
How It Compares
As a standalone entry in this context, silver carbonate represents a fundamental silver-based salt that maintains high thermodynamic stability, distinguishing it from more volatile or reactive metal carbonates that may not share its robust structural profile.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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