B3Mo

B3Mo is a metallic transition-metal boride compound that is considered stable enough for potential synthesis and use in advanced material applications.

Crystal structure of B3Mo
Ground-state structure · Materials Project
Overview

About B3Mo

B3Mo belongs to the transition-metal boride family, a class of materials recognized for their robust mechanical properties and metallic electronic character. As a near-hull stable compound, it represents a viable candidate for experimental synthesis and further investigation into its physical behavior.

This compound is of significant interest to materials scientists exploring the intersection of boron-rich frameworks and refractory metals. Its metallic nature suggests potential utility in high-performance applications where electrical conductivity and structural integrity are required simultaneously.

At a glance

Key Properties

Cross-validated computational properties for B3Mo, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

84
4 databases, 18 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of B3Mo. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

2
jarvis, materials_project

Space Group Consensus

All match
Uses

Applications

Where B3Mo is used.

Hard materials researchRefractory alloy developmentConductive ceramic studies
Reference

Frequently Asked Questions

Common questions about B3Mo, answered from cross-validated data.

What is B3Mo?

B3Mo is a metallic transition-metal boride compound that is considered stable enough for potential synthesis and use in advanced material applications.

More questions
What is B3Mo used for?
B3Mo is used in hard materials research, refractory alloy development, and conductive ceramic studies.
What is the band gap of B3Mo?
B3Mo is computed to be metallic (no band gap) in the reported DFT structures.
Is B3Mo a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is B3Mo thermodynamically stable?
B3Mo has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
How many polymorphs of B3Mo are known?
84 structures of B3Mo are reported across 4 databases, spanning 18 distinct space groups.
What elements does B3Mo contain?
B3Mo contains B and Mo (2 elements).
Where does the data for B3Mo come from?
B3Mo data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal borides class.

Within the diverse landscape of molybdenum-based borides, B3Mo occupies a unique structural niche compared to simpler phases like BMo or B2Mo. While siblings such as CrB4 exhibit different stoichiometry and bonding characteristics, B3Mo stands out for its specific boron-to-metal ratio, which influences its thermodynamic positioning and potential for specialized industrial applications.

Explore

Related Compounds

Other Transition-Metal Borides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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