B16Tb4W4
B16Tb4W4 is a thermodynamically stable, semiconducting ternary boride containing terbium and tungsten.
About B16Tb4W4
B16Tb4W4 is a complex ternary boride compound composed of boron, terbium, and tungsten. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of these elements that maintains integrity under standard conditions.
This material exhibits semiconducting electronic character, positioning it as an interesting subject for investigation in advanced materials research. Its presence across multiple structural databases underscores its significance as a well-defined crystalline compound within the broader family of rare-earth transition metal borides.
Key Properties
Cross-validated computational properties for B16Tb4W4, 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 B16Tb4W4, 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 | 0.56 | 0.0000 | -7.975 | 10.03 |
| Pbam (No. 55) | — | — | — | — | — |
| — | — | — | — | — | 9.96 |
Applications
Where B16Tb4W4 is used.
Frequently Asked Questions
Common questions about B16Tb4W4, answered from cross-validated data.
What is B16Tb4W4?
B16Tb4W4 is a thermodynamically stable, semiconducting ternary boride containing terbium and tungsten.
What is B16Tb4W4 used for?
What is the band gap of B16Tb4W4?
Is B16Tb4W4 a metal, semiconductor, or insulator?
Is B16Tb4W4 thermodynamically stable?
What is the crystal structure of B16Tb4W4?
What is the density of B16Tb4W4?
How many polymorphs of B16Tb4W4 are known?
What elements does B16Tb4W4 contain?
Where does the data for B16Tb4W4 come from?
How It Compares
As a distinct ternary phase, B16Tb4W4 serves as a representative example of the structural complexity achievable when combining rare-earth elements with transition metals and boron. It occupies a stable niche in the chemical landscape, providing a reference point for understanding the electronic and structural trends of metal-rich boride systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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