B4Cr1Y1
B4Cr1Y1 is a stable, semiconducting ternary boride composed of boron, chromium, and yttrium.
About B4Cr1Y1
B4Cr1Y1 is a complex ternary boride characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of boron, chromium, and yttrium atoms.
This compound is of interest to materials scientists investigating the interplay between transition metals and light elements. Its stability suggests potential for use in demanding environments where structural integrity and specific electronic responses are required.
Key Properties
Cross-validated computational properties for B4Cr1Y1, 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 B4Cr1Y1, 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 | 0.16 | 0.0000 | -11.450 | 5.24 |
| No. 0 | unknown | — | — | — | 1.29 |
| No. 0 | unknown | — | — | — | 1.29 |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where B4Cr1Y1 is used.
Frequently Asked Questions
Common questions about B4Cr1Y1, answered from cross-validated data.
What is B4Cr1Y1?
B4Cr1Y1 is a stable, semiconducting ternary boride composed of boron, chromium, and yttrium.
What is B4Cr1Y1 used for?
What is the band gap of B4Cr1Y1?
Is B4Cr1Y1 a metal, semiconductor, or insulator?
Is B4Cr1Y1 thermodynamically stable?
What is the crystal structure of B4Cr1Y1?
What is the density of B4Cr1Y1?
How many polymorphs of B4Cr1Y1 are known?
What elements does B4Cr1Y1 contain?
Where does the data for B4Cr1Y1 come from?
How It Compares
As a unique ternary boride, B4Cr1Y1 occupies a distinct niche in materials science. Unlike simpler binary borides, this compound leverages the combined properties of chromium and yttrium to achieve a stable semiconducting state, marking it as a specialized candidate for advanced materials research.
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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