BAs
Boron arsenide · Boron monoarsenide
Boron arsenide is a semiconductor material known for its exceptional thermal transport properties. It is primarily researched for its potential to improve heat management in high-performance electronic and optoelectronic devices.
AsB
Overview
Key Properties
Cross-validated computational properties for Boron arsenide, 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.
1.14–1.20 eV
Range across DFT structures
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.
0.080 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
147
4 databases, 21 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BAs, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 1.20 | 0.0804 | -11.069 | 5.09 |
| P63mc (No. 186) | hexagonal | 1.14 | 0.0895 | -11.059 | 5.10 |
| P1 (No. 1) | Triclinic | — | — | — | 2.45 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.98 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.15 |
| P1 (No. 1) | Triclinic | — | — | — | 3.09 |
| P1 (No. 1) | Triclinic | — | — | — | 3.09 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 7.06 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 3.66 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.97 |
| P4mm (No. 99) | Tetragonal | — | — | — | 5.41 |
Uses
Applications
Where Boron arsenide is used.
Semiconductor researchThermal management systemsHigh-power electronicsOptoelectronics
Reference
Frequently Asked Questions
Common questions about Boron arsenide, answered from cross-validated data.
What is BAs?
Boron arsenide is a semiconductor material known for its exceptional thermal transport properties. It is primarily researched for its potential to improve heat management in high-performance electronic and optoelectronic devices.
More questions
What is BAs used for?
Boron arsenide (BAs) is used in semiconductor research, thermal management systems, high-power electronics, and optoelectronics.
What is the band gap of BAs?
Boron arsenide (BAs) has a DFT-computed band gap of 1.14–1.20 eV across 147 reported structures.
Is BAs a metal, semiconductor, or insulator?
With a band gap up to 1.20 eV it is a semiconductor.
Is BAs thermodynamically stable?
Boron arsenide (BAs) has a lowest energy above hull of 0.080 eV/atom (metastable).
What is the crystal structure of BAs?
The lowest-energy reported polymorph of Boron arsenide (BAs) is cubic symmetry, space group F-43m (No. 216).
What is the density of BAs?
The computed density of the ground-state structure of Boron arsenide (BAs) is 5.09 g/cm³.
How many polymorphs of BAs are known?
147 structures of BAs are reported across 4 databases, spanning 21 distinct space groups.
What elements does BAs contain?
Boron arsenide (BAs) contains As and B (2 elements).
Where does the data for BAs come from?
BAs data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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