AgN3
Silver azide · Silver(I) azide
Silver azide is a highly sensitive inorganic compound known for its explosive properties. It is primarily utilized in specialized detonators and explosive initiators due to its ability to decompose rapidly when triggered.
AgN
Overview
Key Properties
Cross-validated computational properties for Silver azide, 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.
1.57–1.63 eV
Range across DFT structures
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.
0.625 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
123
4 databases, 23 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AgN3. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for AgN3, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 1.57 | 0.6249 | -11.561 | 4.32 |
| I4/mcm (No. 140) | tetragonal | 1.63 | 0.6449 | -11.541 | 4.87 |
| P1 (No. 1) | Triclinic | — | — | — | 5.82 |
| Ibam (No. 72) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.72 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.40 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.69 |
| P1 (No. 1) | Triclinic | — | — | — | 5.36 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.93 |
| P1 (No. 1) | Triclinic | — | — | — | 3.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.40 |
Uses
Applications
Where Silver azide is used.
DetonatorsExplosive initiatorsLaboratory research
Reference
Frequently Asked Questions
Common questions about Silver azide, answered from cross-validated data.
What is AgN3?
Silver azide is a highly sensitive inorganic compound known for its explosive properties. It is primarily utilized in specialized detonators and explosive initiators due to its ability to decompose rapidly when triggered.
More questions
What is AgN3 used for?
Silver azide (AgN3) is used in detonators, explosive initiators, and laboratory research.
What is the band gap of AgN3?
Silver azide (AgN3) has a DFT-computed band gap of 1.57–1.63 eV across 123 reported structures.
Is AgN3 a metal, semiconductor, or insulator?
With a band gap up to 1.63 eV it is a semiconductor.
Is AgN3 thermodynamically stable?
Silver azide (AgN3) has a lowest energy above hull of 0.625 eV/atom (above hull).
What is the crystal structure of AgN3?
The lowest-energy reported polymorph of Silver azide (AgN3) is orthorhombic symmetry, space group Ibam (No. 72).
What is the density of AgN3?
The computed density of the ground-state structure of Silver azide (AgN3) is 4.32 g/cm³.
How many polymorphs of AgN3 are known?
123 structures of AgN3 are reported across 4 databases, spanning 23 distinct space groups.
What elements does AgN3 contain?
Silver azide (AgN3) contains Ag and N (2 elements).
Where does the data for AgN3 come from?
AgN3 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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