B6As
Arsenic hexaboride
Arsenic hexaboride is a refractory inorganic compound known for its extreme hardness and chemical stability. It is primarily studied for its potential use in specialized industrial applications that require materials capable of withstanding harsh environments.
Key Properties
Cross-validated computational properties for B6As, 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 B6As, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.65 | 0.0000 | -8.607 | 3.59 |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 2.42 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.46 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.61 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.44 |
| P1 (No. 1) | Triclinic | — | — | — | 4.09 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.55 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.59 |
| P1 (No. 1) | Triclinic | — | — | — | 3.08 |
| P1 (No. 1) | Triclinic | — | — | — | 3.06 |
Applications
Where B6As is used.
Frequently Asked Questions
Common questions about B6As, answered from cross-validated data.
What is B6As?
Arsenic hexaboride is a refractory inorganic compound known for its extreme hardness and chemical stability. It is primarily studied for its potential use in specialized industrial applications that require materials capable of withstanding harsh environments.
What is B6As used for?
What is the band gap of B6As?
Is B6As a metal, semiconductor, or insulator?
Is B6As thermodynamically stable?
What is the crystal structure of B6As?
What is the density of B6As?
How many polymorphs of B6As are known?
What elements does B6As contain?
Where does the data for B6As come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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