AgClO2
AgClO2 is a semiconducting silver chlorite compound characterized by its structural complexity and inherent thermodynamic instability.
About AgClO2
AgClO2 is a semiconducting compound containing silver, chlorine, and oxygen. As a complex inorganic salt, it represents a unique chemical arrangement that has been the subject of extensive structural investigation across multiple scientific databases. Its electronic properties suggest potential for specialized applications in materials science research. Due to its position above the thermodynamic hull, this compound is considered inherently unstable under standard conditions. This metastability makes it a fascinating subject for chemists studying the synthesis and decomposition pathways of silver-based oxyanion compounds.
Key Properties
Cross-validated computational properties for AgClO2, aggregated across 6 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 AgClO2. 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 AgClO2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.00 | 0.0402 | -0.201 | — |
| C2/c (No. 15) | monoclinic | 0.70 | 0.0909 | -0.151 | — |
| Cm (No. 8) | monoclinic | 0.41 | 0.1025 | -0.139 | — |
| — | — | 0.80 | 0.2002 | -0.171 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.2208 | -3.919 | 2.69 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.2295 | -3.910 | 3.98 |
| C2/c (No. 15) | monoclinic | 0.86 | 0.2364 | -3.903 | 3.14 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2502 | -3.889 | 3.59 |
| Pcca (No. 54) | orthorhombic | 0.96 | 0.2639 | -3.876 | 4.28 |
| Pcca (No. 54) | orthorhombic | 0.78 | 0.3168 | 0.075 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.3318 | -3.808 | 3.79 |
| P1 (No. 1) | triclinic | 0.00 | 0.3374 | 0.096 | — |
Applications
Where AgClO2 is used.
Frequently Asked Questions
Common questions about AgClO2, answered from cross-validated data.
What is AgClO2?
AgClO2 is a semiconducting silver chlorite compound characterized by its structural complexity and inherent thermodynamic instability.
What is AgClO2 used for?
What is the band gap of AgClO2?
Is AgClO2 a metal, semiconductor, or insulator?
Is AgClO2 thermodynamically stable?
What is the crystal structure of AgClO2?
What is the density of AgClO2?
How many polymorphs of AgClO2 are known?
What elements does AgClO2 contain?
Where does the data for AgClO2 come from?
How It Compares
As a distinct silver-based chlorite, AgClO2 occupies a specialized niche in inorganic chemistry. Unlike more common and stable silver halides or oxides, this compound exhibits a higher degree of structural complexity, requiring careful handling and synthesis strategies to navigate its metastable nature.
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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