B4Mo1Y1
B4Mo1Y1 is a thermodynamically stable, semiconducting ternary boride compound composed of yttrium, molybdenum, and boron.
About B4Mo1Y1
B4Mo1Y1 is a complex ternary boride that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the yttrium-molybdenum-boron system.
Its unique composition makes it an intriguing subject for materials scientists investigating specialized electronic properties. The stability of this compound suggests potential for applications requiring reliable performance in demanding chemical environments.
Key Properties
Cross-validated computational properties for B4Mo1Y1, 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 B4Mo1Y1, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 0.28 | 0.0000 | -13.300 | 5.96 |
| No. 0 | unknown | — | — | — | 1.50 |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where B4Mo1Y1 is used.
Frequently Asked Questions
Common questions about B4Mo1Y1, answered from cross-validated data.
What is B4Mo1Y1?
B4Mo1Y1 is a thermodynamically stable, semiconducting ternary boride compound composed of yttrium, molybdenum, and boron.
What is B4Mo1Y1 used for?
What is the band gap of B4Mo1Y1?
Is B4Mo1Y1 a metal, semiconductor, or insulator?
Is B4Mo1Y1 thermodynamically stable?
What is the crystal structure of B4Mo1Y1?
What is the density of B4Mo1Y1?
How many polymorphs of B4Mo1Y1 are known?
What elements does B4Mo1Y1 contain?
Where does the data for B4Mo1Y1 come from?
How It Compares
As a distinct ternary boride, B4Mo1Y1 occupies a unique niche in materials science, serving as a stable building block for exploring the interplay between transition metals and boron frameworks in semiconducting systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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