AgCO2
AgCO2 is a semiconducting silver-based compound that exists in a metastable state.
About AgCO2
AgCO2 is a silver-based compound characterized by its semiconducting electronic nature. It represents a complex material system that has been the subject of investigation across multiple structural databases, reflecting a diverse range of possible atomic configurations.
Due to its position relative to the thermodynamic ground state, this compound is considered metastable. Understanding its structural behavior is essential for researchers exploring silver-carbon-oxygen systems and the potential for synthesizing novel inorganic phases.
Key Properties
Cross-validated computational properties for AgCO2, 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 AgCO2. 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 AgCO2, 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 | 1.83 | 0.1639 | -0.825 | — |
| P21/c (No. 14) | monoclinic | 2.25 | 0.1769 | -0.811 | — |
| — | — | 2.32 | 0.1961 | -0.959 | — |
| — | — | 2.21 | 0.1979 | -0.957 | — |
| P21/c (No. 14) | monoclinic | 2.34 | 0.2215 | -6.598 | 4.49 |
| P21/c (No. 14) | monoclinic | 1.98 | 0.2464 | -6.573 | 4.68 |
| P4mm (No. 99) | tetragonal | 0.00 | 1.1654 | 0.177 | — |
| P-1 (No. 2) | triclinic | — | — | — | 7.31 |
| P-1 (No. 2) | triclinic | — | — | — | 4.40 |
| F222 (No. 22) | orthorhombic | — | — | — | 5.37 |
| P-1 (No. 2) | triclinic | — | — | — | 5.86 |
| F222 (No. 22) | orthorhombic | — | — | — | 5.10 |
Frequently Asked Questions
Common questions about AgCO2, answered from cross-validated data.
What is AgCO2?
AgCO2 is a semiconducting silver-based compound that exists in a metastable state.
What is the band gap of AgCO2?
Is AgCO2 a metal, semiconductor, or insulator?
Is AgCO2 thermodynamically stable?
What is the crystal structure of AgCO2?
How many polymorphs of AgCO2 are known?
What elements does AgCO2 contain?
Where does the data for AgCO2 come from?
How It Compares
As a unique inorganic phase, AgCO2 serves as an interesting case study in the broader landscape of silver-based semiconductors. Without direct structural siblings in this specific class, it stands as a distinct entry point for examining how silver coordinates with carbon and oxygen to form semiconducting frameworks.
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)
- 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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