B16Er4Mo4
B16Er4Mo4 is a thermodynamically stable semiconducting ternary boride containing erbium and molybdenum.
About B16Er4Mo4
B16Er4Mo4 is a complex ternary boride composed of erbium, molybdenum, and boron. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, suggesting potential utility in specialized electronic or optoelectronic device architectures where specific band-gap tuning is required. The material has been identified across multiple structural databases, reflecting its status as a recognized crystalline entity within the broader family of rare-earth transition metal borides. Its unique stoichiometry allows for intricate bonding networks that differentiate it from simpler binary systems.
Key Properties
Cross-validated computational properties for B16Er4Mo4, 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 B16Er4Mo4, 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 | -7.660 | 8.09 |
| Pbam (No. 55) | — | — | — | — | — |
| — | — | — | — | — | 6.30 |
Applications
Where B16Er4Mo4 is used.
Frequently Asked Questions
Common questions about B16Er4Mo4, answered from cross-validated data.
What is B16Er4Mo4?
B16Er4Mo4 is a thermodynamically stable semiconducting ternary boride containing erbium and molybdenum.
What is B16Er4Mo4 used for?
What is the band gap of B16Er4Mo4?
Is B16Er4Mo4 a metal, semiconductor, or insulator?
Is B16Er4Mo4 thermodynamically stable?
What is the crystal structure of B16Er4Mo4?
What is the density of B16Er4Mo4?
How many polymorphs of B16Er4Mo4 are known?
What elements does B16Er4Mo4 contain?
Where does the data for B16Er4Mo4 come from?
How It Compares
As a unique ternary boride, B16Er4Mo4 occupies a distinct niche in materials science. Unlike simpler transition metal borides that often exhibit metallic conductivity, this compound leverages its specific erbium and molybdenum composition to achieve semiconducting behavior, positioning it as a specialized candidate for advanced materials research.
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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