HgN2
Mercury nitride is a nitrogen-rich inorganic compound containing mercury and nitrogen atoms. It is primarily studied for its structural properties and potential as a high-energy material in specialized chemical research.
HgN
Overview
Key Properties
Cross-validated computational properties for HgN2, 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.
0.92 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.
2.721 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
127
2 databases, 26 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HgN2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.92 | 2.7212 | -19.821 | 2.89 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.70 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.68 |
| P1 (No. 1) | Triclinic | — | — | — | 5.69 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 7.27 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.94 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.92 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.01 |
Uses
Applications
Where HgN2 is used.
Chemical researchHigh-energy materials studies
Reference
Frequently Asked Questions
Common questions about HgN2, answered from cross-validated data.
What is HgN2?
Mercury nitride is a nitrogen-rich inorganic compound containing mercury and nitrogen atoms. It is primarily studied for its structural properties and potential as a high-energy material in specialized chemical research.
More questions
What is HgN2 used for?
HgN2 is used in chemical research and high-energy materials studies.
What is the band gap of HgN2?
HgN2 has a DFT-computed band gap of 0.92 eV across 127 reported structures.
Is HgN2 a metal, semiconductor, or insulator?
With a band gap up to 0.92 eV it is a semiconductor.
Is HgN2 thermodynamically stable?
HgN2 has a lowest energy above hull of 2.721 eV/atom (above hull).
What is the crystal structure of HgN2?
The lowest-energy reported polymorph of HgN2 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of HgN2?
The computed density of the ground-state structure of HgN2 is 2.89 g/cm³.
How many polymorphs of HgN2 are known?
127 structures of HgN2 are reported across 2 databases, spanning 26 distinct space groups.
What elements does HgN2 contain?
HgN2 contains Hg and N (2 elements).
Where does the data for HgN2 come from?
HgN2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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