AgAsO2
AgAsO2 is a metastable semiconducting compound containing silver, arsenic, and oxygen that is primarily studied for its structural diversity.
About AgAsO2
AgAsO2 is a complex ternary compound composed of silver, arsenic, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Due to its metastable nature, this compound represents a unique structural configuration that is not found in the most common thermodynamic ground states. Its existence across multiple structural databases highlights its significance as a target for researchers exploring non-equilibrium material phases.
Key Properties
Cross-validated computational properties for AgAsO2, aggregated across 4 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 AgAsO2. 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 AgAsO2, 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 (No. 5) | monoclinic | 2.38 | 0.0488 | -5.510 | 5.07 |
| C2 (No. 5) | monoclinic | 2.33 | 0.0674 | -0.849 | — |
| P4mm (No. 99) | tetragonal | 0.89 | 0.2220 | -0.694 | — |
| R-3m (No. 166) | trigonal | 0.71 | 0.2929 | -0.623 | — |
| R3m (No. 160) | trigonal | 0.07 | 0.3562 | -0.560 | — |
| P-1 (No. 2) | triclinic | — | — | — | 5.87 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.46 |
| C2 (No. 5) | monoclinic | — | — | — | 5.46 |
| C2 (No. 5) | monoclinic | — | — | — | 5.07 |
| C2 (No. 5) | monoclinic | — | — | — | 5.21 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.92 |
| — | — | — | — | — | 5.76 |
Applications
Where AgAsO2 is used.
Frequently Asked Questions
Common questions about AgAsO2, answered from cross-validated data.
What is AgAsO2?
AgAsO2 is a metastable semiconducting compound containing silver, arsenic, and oxygen that is primarily studied for its structural diversity.
What is AgAsO2 used for?
What is the band gap of AgAsO2?
Is AgAsO2 a metal, semiconductor, or insulator?
Is AgAsO2 thermodynamically stable?
What is the crystal structure of AgAsO2?
What is the density of AgAsO2?
How many polymorphs of AgAsO2 are known?
What elements does AgAsO2 contain?
Where does the data for AgAsO2 come from?
How It Compares
As a unique ternary phase, AgAsO2 occupies a specialized niche in materials science. Without direct structural siblings in this specific classification, it serves as a distinct example of how silver and arsenic can coordinate within an oxide framework to produce semiconducting behavior.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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