AgN3O4
AgN3O4 is an unstable, semiconducting silver-based compound characterized by its complex nitrogen and oxygen coordination.
About AgN3O4
AgN3O4 is a complex inorganic compound composed of silver, nitrogen, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic salts, positioning it as a subject of interest for fundamental structural studies.
Due to its position above the thermodynamic hull, this compound is considered inherently unstable under standard conditions. Its existence is documented across a limited number of structural databases, reflecting the synthetic challenges associated with stabilizing such silver-nitrogen-oxygen frameworks.
Key Properties
Cross-validated computational properties for AgN3O4, 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.
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 AgN3O4. 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 AgN3O4, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 1.96 | 0.2418 | -6.268 | 3.41 |
| Pbca (No. 61) | orthorhombic | 1.62 | 0.2612 | 0.045 | — |
| Pbca (No. 61) | orthorhombic | — | — | — | 3.61 |
Frequently Asked Questions
Common questions about AgN3O4, answered from cross-validated data.
What is AgN3O4?
AgN3O4 is an unstable, semiconducting silver-based compound characterized by its complex nitrogen and oxygen coordination.
What is the band gap of AgN3O4?
Is AgN3O4 a metal, semiconductor, or insulator?
Is AgN3O4 thermodynamically stable?
What is the crystal structure of AgN3O4?
What is the density of AgN3O4?
How many polymorphs of AgN3O4 are known?
What elements does AgN3O4 contain?
Where does the data for AgN3O4 come from?
How It Compares
As a unique inorganic compound, AgN3O4 represents a specialized niche in materials chemistry where high-energy configurations are explored. Unlike more common, thermodynamically stable silver salts, this material serves as a case study in the structural diversity possible within metastable silver-based systems.
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)
- 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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