H4N2O3
Ammonium nitrate · AN
H4N2O3 is a nitrogen-based insulating compound known for its high reactivity and widespread use in industrial and agricultural sectors.
About Ammonium nitrate
H4N2O3 is a nitrogen-rich compound that functions as a wide-gap insulator. Its electronic structure is characterized by a significant energy separation between the valence and conduction bands, which is typical for materials of this chemical composition.
Due to its position relative to the thermodynamic ground state, this compound is considered metastable. It is a highly studied substance with numerous reported structural configurations, reflecting its complex chemistry and reactivity in various environments.
Key Properties
Cross-validated computational properties for Ammonium nitrate, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for H4N2O3, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 4.21 | 0.1650 | -5.818 | 1.28 |
| Pccn (No. 56) | orthorhombic | 3.31 | 0.2165 | -5.767 | 1.63 |
| P-421m (No. 113) | tetragonal | 3.07 | 0.2230 | -5.760 | 1.62 |
| P42 (No. 77) | tetragonal | 3.23 | 0.2268 | -5.756 | 1.65 |
| Pmmn (No. 59) | orthorhombic | 3.13 | 0.2291 | -5.754 | 1.85 |
| Pnma (No. 62) | orthorhombic | 3.39 | 0.2367 | -5.747 | 1.58 |
| Pmmn (No. 59) | orthorhombic | 3.11 | 0.2465 | -5.737 | 1.65 |
| Pnma (No. 62) | orthorhombic | 5.04 | 0.4964 | -5.487 | 1.59 |
| Pna21 (No. 33) | orthorhombic | 4.82 | 0.5061 | -5.477 | 1.66 |
| P1 (No. 1) | triclinic | 1.17 | 0.5135 | -5.470 | 1.34 |
| Pmmn (No. 59) | orthorhombic | 2.74 | 0.6110 | -5.372 | 1.68 |
| Pna21 (No. 33) | orthorhombic | 1.60 | 0.6343 | -5.349 | 1.17 |
Applications
Where Ammonium nitrate is used.
Frequently Asked Questions
Common questions about Ammonium nitrate, answered from cross-validated data.
What is H4N2O3?
H4N2O3 is a nitrogen-based insulating compound known for its high reactivity and widespread use in industrial and agricultural sectors.
What is H4N2O3 used for?
What is the band gap of H4N2O3?
Is H4N2O3 a metal, semiconductor, or insulator?
Is H4N2O3 thermodynamically stable?
What is the crystal structure of H4N2O3?
What is the density of H4N2O3?
How many polymorphs of H4N2O3 are known?
What elements does H4N2O3 contain?
Where does the data for H4N2O3 come from?
How It Compares
As a unique chemical entity, this compound serves as a critical reference point for nitrogen-based energetics. Unlike more stable mineral phases, its tendency to exist above the thermodynamic hull dictates its specialized handling and specific industrial utility.
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).
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