B16Er4W4
B16Er4W4 is a thermodynamically stable, semiconducting ternary boride containing erbium and tungsten.
About B16Er4W4
B16Er4W4 is a complex ternary boride compound composed of erbium, tungsten, and boron. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is of significant interest for materials science research into advanced metallic-ceramic systems. Its semiconducting electronic character differentiates it from purely metallic borides, suggesting potential for specialized electronic or structural applications where specific conductivity profiles are required. The material is characterized by a well-defined structural framework that has been documented across multiple databases, highlighting its reliability as a subject for computational and experimental study. Its stability makes it a compelling candidate for further investigation into its physical and chemical properties.
Key Properties
Cross-validated computational properties for B16Er4W4, 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 B16Er4W4, 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 | 0.59 | 0.0000 | -7.979 | 10.45 |
| Pbam (No. 55) | — | — | — | — | — |
| — | — | — | — | — | 10.36 |
Applications
Where B16Er4W4 is used.
Frequently Asked Questions
Common questions about B16Er4W4, answered from cross-validated data.
What is B16Er4W4?
B16Er4W4 is a thermodynamically stable, semiconducting ternary boride containing erbium and tungsten.
What is B16Er4W4 used for?
What is the band gap of B16Er4W4?
Is B16Er4W4 a metal, semiconductor, or insulator?
Is B16Er4W4 thermodynamically stable?
What is the crystal structure of B16Er4W4?
What is the density of B16Er4W4?
How many polymorphs of B16Er4W4 are known?
What elements does B16Er4W4 contain?
Where does the data for B16Er4W4 come from?
How It Compares
As a distinct ternary boride, B16Er4W4 occupies a unique position in materials science where the combination of rare-earth erbium and refractory tungsten provides a specialized structural niche. Unlike simpler binary borides, this compound leverages the interplay between its constituent elements to achieve thermodynamic stability, serving as a benchmark for complex boron-rich systems that exhibit semiconducting behavior.
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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