BMo
BMo is a stable, metallic transition-metal boride that serves as a key structural component in the molybdenum-boron system.
About BMo
BMo is a transition-metal boride characterized by its metallic electronic structure. As a thermodynamically stable phase located on the convex hull, it represents a robust composition within the boron-molybdenum system, offering structural integrity for high-performance applications. Its metallic nature suggests potential utility in fields requiring efficient electrical conductivity or thermal management. The compound is supported by a significant body of structural data, reflecting its prominence in materials research.
Key Properties
Cross-validated computational properties for BMo, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BMo. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BMo, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -17.233 | 8.60 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -0.452 | — |
| — | — | 0.00 | 0.0000 | -0.500 | — |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -0.452 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0094 | -0.443 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0106 | -17.223 | 8.59 |
| — | — | 0.00 | 0.0107 | -0.490 | — |
| — | — | 0.00 | 0.2607 | -0.240 | — |
| — | — | 0.00 | 0.2626 | -0.238 | — |
| — | — | 0.00 | 0.5662 | 0.066 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.6941 | 0.242 | — |
| — | — | 0.00 | 0.7347 | 0.234 | — |
Applications
Where BMo is used.
Frequently Asked Questions
Common questions about BMo, answered from cross-validated data.
What is BMo?
BMo is a stable, metallic transition-metal boride that serves as a key structural component in the molybdenum-boron system.
What is BMo used for?
What is the band gap of BMo?
Is BMo a metal, semiconductor, or insulator?
Is BMo thermodynamically stable?
What is the crystal structure of BMo?
What is the density of BMo?
How many polymorphs of BMo are known?
What elements does BMo contain?
Where does the data for BMo come from?
How It Compares
Within the transition-metal borides class.
Within the diverse family of transition-metal borides, BMo occupies a distinct position compared to siblings like B2Mo or B3Mo. While many borides in this class exhibit varying boron-to-metal ratios that dictate their hardness and stability, BMo stands out as a stable, metallic phase that bridges the gap between molybdenum-rich and boron-rich variants like CrB4 or MgB4.
Related Compounds
Other Transition-Metal Borides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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