AgC2N3
AgC2N3 is a metastable, insulating silver compound that exhibits diverse structural arrangements.
About AgC2N3
AgC2N3 is a silver-containing compound characterized by its wide-band-gap insulating electronic profile. Its structural complexity is evidenced by multiple reported configurations, reflecting the intricate bonding arrangements possible within this chemical system.
As a material that sits above the thermodynamic hull, it is considered inherently metastable. This instability is a key focus for researchers studying the synthesis and potential reactivity of silver-based nitrogen-carbon frameworks.
Key Properties
Cross-validated computational properties for AgC2N3, 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 AgC2N3. 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 AgC2N3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.74 | 0.2276 | -11.212 | 3.02 |
| P3121 (No. 152) | trigonal | 3.58 | 0.2318 | -11.208 | 3.21 |
| P3121 (No. 152) | trigonal | 2.36 | 0.7734 | -10.666 | 3.03 |
| P3121 (No. 152) | trigonal | 0.60 | 0.9338 | -10.506 | 3.74 |
| Pnma (No. 62) | orthorhombic | 0.00 | 1.1185 | -10.321 | 2.41 |
| P3121 (No. 152) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.83 |
Applications
Where AgC2N3 is used.
Frequently Asked Questions
Common questions about AgC2N3, answered from cross-validated data.
What is AgC2N3?
AgC2N3 is a metastable, insulating silver compound that exhibits diverse structural arrangements.
What is AgC2N3 used for?
What is the band gap of AgC2N3?
Is AgC2N3 a metal, semiconductor, or insulator?
Is AgC2N3 thermodynamically stable?
What is the crystal structure of AgC2N3?
What is the density of AgC2N3?
How many polymorphs of AgC2N3 are known?
What elements does AgC2N3 contain?
Where does the data for AgC2N3 come from?
How It Compares
As a unique silver-based compound, AgC2N3 serves as a specialized subject within materials science. Unlike more common, highly stable inorganic solids, its metastable nature makes it a distinct case study for understanding the limits of structural formation in silver-carbon-nitrogen systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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