B2Mo3
B2Mo3 is a metallic molybdenum boride compound that is considered a viable target for experimental synthesis due to its favorable thermodynamic stability.
About B2Mo3
B2Mo3 is a transition-metal boride characterized by its metallic electronic structure. As a material situated near the thermodynamic hull, it represents a promising candidate for experimental synthesis and structural characterization within the broader family of refractory borides.
Its significance lies in the complex interplay between molybdenum and boron, which often yields robust mechanical properties and high thermal stability. Researchers study this compound to better understand the phase stability and chemical bonding patterns that define the transition-metal boride class.
Key Properties
Cross-validated computational properties for B2Mo3, 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.
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 B2Mo3, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.0230 | -18.978 | 9.02 |
| P4mm (No. 99) | Tetragonal | — | — | — | 9.17 |
| P3m1 (No. 156) | Trigonal | — | — | — | 7.01 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.76 |
| P1 (No. 1) | Triclinic | — | — | — | 12.17 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.97 |
| P1 (No. 1) | Triclinic | — | — | — | 3.45 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.03 |
| P1 (No. 1) | Triclinic | — | — | — | 5.73 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.37 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 9.76 |
| P3m1 (No. 156) | Trigonal | — | — | — | 8.49 |
Applications
Where B2Mo3 is used.
Frequently Asked Questions
Common questions about B2Mo3, answered from cross-validated data.
What is B2Mo3?
B2Mo3 is a metallic molybdenum boride compound that is considered a viable target for experimental synthesis due to its favorable thermodynamic stability.
What is B2Mo3 used for?
What is the band gap of B2Mo3?
Is B2Mo3 a metal, semiconductor, or insulator?
Is B2Mo3 thermodynamically stable?
What is the crystal structure of B2Mo3?
What is the density of B2Mo3?
How many polymorphs of B2Mo3 are known?
What elements does B2Mo3 contain?
Where does the data for B2Mo3 come from?
How It Compares
Within the transition-metal borides class.
Within the diverse landscape of transition-metal borides, B2Mo3 occupies a unique structural niche compared to its siblings like BMo and B2Mo. While many members of this class exhibit varying degrees of hardness and stability, B2Mo3 is distinguished by its specific stoichiometry and its status as a highly studied configuration among the dozens of reported structures in this chemical space.
Related Compounds
Other Transition-Metal Borides in the database.
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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