AgAs
AgAs is an unstable, metallic binary compound formed from silver and arsenic.
About AgAs
AgAs is a binary metallic compound composed of silver and arsenic. Given its electronic character, it exhibits conductive behavior typical of metallic systems, though it lacks a distinct band gap. Its structural complexity is evidenced by a significant number of reported configurations across various databases.
Despite its structural diversity, this compound is characterized by its position above the thermodynamic hull, suggesting it is inherently unstable under standard conditions. Its study is primarily of interest to researchers investigating metastable phases and the fundamental interactions between silver and pnictogen elements.
Key Properties
Cross-validated computational properties for AgAs, 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 AgAs. 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 AgAs, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.2240 | -17.808 | 7.94 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.33 |
| R-3m (No. 166) | Trigonal | — | — | — | 7.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.74 |
| R-3m (No. 166) | Trigonal | — | — | — | 10.60 |
| P2/m (No. 10) | Monoclinic | — | — | — | 8.05 |
| P2/m (No. 10) | Monoclinic | — | — | — | 6.90 |
| P2/m (No. 10) | Monoclinic | — | — | — | 9.63 |
| Pmmm (No. 47) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 7.35 |
| P1 (No. 1) | Triclinic | — | — | — | 5.24 |
Frequently Asked Questions
Common questions about AgAs, answered from cross-validated data.
What is AgAs?
AgAs is an unstable, metallic binary compound formed from silver and arsenic.
What is the band gap of AgAs?
Is AgAs a metal, semiconductor, or insulator?
Is AgAs thermodynamically stable?
What is the crystal structure of AgAs?
What is the density of AgAs?
How many polymorphs of AgAs are known?
What elements does AgAs contain?
Where does the data for AgAs come from?
How It Compares
As a unique binary phase, AgAs does not belong to a broad, well-defined family of compounds with established siblings. It occupies a specialized niche in materials science where its metastability makes it a subject of interest for understanding the limits of phase formation in silver-arsenic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- 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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