MgN8
MgN8 is a semiconducting magnesium-nitrogen compound that is currently studied for its potential high-energy properties.
About MgN8
MgN8 is a nitrogen-rich magnesium compound that exhibits semiconducting electronic behavior. Its composition, characterized by a high nitrogen-to-metal ratio, places it in a specialized category of materials often investigated for their potential as high-energy density candidates.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under ambient conditions. Despite this, it remains a subject of interest in computational materials science, with multiple structural configurations identified across various databases.
Key Properties
Cross-validated computational properties for MgN8, 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.
Reported Structures
Lowest-energy structures reported for MgN8, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 0.77 | 1.3962 | -7.356 | 1.31 |
| I4/m (No. 87) | — | — | — | — | — |
| — | — | — | — | — | 1.26 |
| — | — | — | — | — | 1.48 |
Applications
Where MgN8 is used.
Frequently Asked Questions
Common questions about MgN8, answered from cross-validated data.
What is MgN8?
MgN8 is a semiconducting magnesium-nitrogen compound that is currently studied for its potential high-energy properties.
What is MgN8 used for?
What is the band gap of MgN8?
Is MgN8 a metal, semiconductor, or insulator?
Is MgN8 thermodynamically stable?
What is the crystal structure of MgN8?
What is the density of MgN8?
How many polymorphs of MgN8 are known?
What elements does MgN8 contain?
Where does the data for MgN8 come from?
How It Compares
As a unique nitrogen-rich system, MgN8 serves as an intriguing case study for the stability limits of metal-nitrogen frameworks. Without direct structural siblings, it functions as a standalone example of the challenges involved in synthesizing and stabilizing nitrogen-heavy inorganic compounds.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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