B1Be1Co2
B1Be1Co2 is a semiconducting ternary compound composed of boron, beryllium, and cobalt that is primarily studied for its structural complexity and metastable nature.
About B1Be1Co2
B1Be1Co2 is a complex ternary compound composed of boron, beryllium, and cobalt. As a semiconducting material, it represents a specialized niche in inorganic chemistry, drawing interest for its unique electronic configuration and potential for tailored physical properties.
Despite its existence in multiple structural forms, the compound is characterized as being thermodynamically metastable. Its position above the ground-state hull suggests it is a challenging phase to synthesize, making it a subject of significant interest for computational materials scientists studying structural diversity.
Key Properties
Cross-validated computational properties for B1Be1Co2, aggregated across 2 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 B1Be1Co2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.25 | 3.0385 | -3.474 | 0.53 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where B1Be1Co2 is used.
Frequently Asked Questions
Common questions about B1Be1Co2, answered from cross-validated data.
What is B1Be1Co2?
B1Be1Co2 is a semiconducting ternary compound composed of boron, beryllium, and cobalt that is primarily studied for its structural complexity and metastable nature.
What is B1Be1Co2 used for?
What is the band gap of B1Be1Co2?
Is B1Be1Co2 a metal, semiconductor, or insulator?
Is B1Be1Co2 thermodynamically stable?
What is the crystal structure of B1Be1Co2?
What is the density of B1Be1Co2?
How many polymorphs of B1Be1Co2 are known?
What elements does B1Be1Co2 contain?
Where does the data for B1Be1Co2 come from?
How It Compares
As a unique ternary phase, B1Be1Co2 occupies a specialized position within the broader landscape of boron-beryllium-cobalt compounds. Lacking direct structural analogs in this immediate class, it serves as an important case study for understanding how the integration of light elements like boron and beryllium with transition metals can influence electronic behavior and thermodynamic stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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