BaMoN2
BaMoN2 is a thermodynamically stable, semimetallic ternary nitride used in advanced materials research.
About BaMoN2
BaMoN2 is a complex ternary nitride that exists in a thermodynamically stable state on the convex hull. Its electronic character is defined as a near-zero-gap semimetallic material, positioning it as a subject of interest for fundamental studies in solid-state physics and materials design.
As a material with multiple reported structural configurations, it represents a versatile platform for exploring nitrogen-based coordination environments. Its unique electronic nature makes it a compelling candidate for researchers investigating the transition between insulating and metallic behavior in ternary nitrides.
Key Properties
Cross-validated computational properties for BaMoN2, 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 BaMoN2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.04 | 0.0000 | -8.815 | 6.48 |
| — | — | — | — | — | 5.99 |
| — | — | — | — | — | 5.99 |
| P1 (No. 1) | Triclinic | — | — | — | 2.42 |
| P1 (No. 1) | Triclinic | — | — | — | 1.98 |
| P1 (No. 1) | Triclinic | — | — | — | 3.63 |
Applications
Where BaMoN2 is used.
Frequently Asked Questions
Common questions about BaMoN2, answered from cross-validated data.
What is BaMoN2?
BaMoN2 is a thermodynamically stable, semimetallic ternary nitride used in advanced materials research.
What is BaMoN2 used for?
What is the band gap of BaMoN2?
Is BaMoN2 a metal, semiconductor, or insulator?
Is BaMoN2 thermodynamically stable?
What is the crystal structure of BaMoN2?
What is the density of BaMoN2?
How many polymorphs of BaMoN2 are known?
What elements does BaMoN2 contain?
Where does the data for BaMoN2 come from?
How It Compares
As a distinct ternary nitride, BaMoN2 occupies a unique position in materials science where its stability and semimetallic nature allow it to serve as a baseline for understanding the structural and electronic evolution of molybdenum-based nitrogen compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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