B16Ho4Mo4
B16Ho4Mo4 is a thermodynamically stable, semiconducting ternary boride composed of holmium, molybdenum, and boron.
About B16Ho4Mo4
B16Ho4Mo4 is a complex ternary boride that occupies a stable position on the thermodynamic convex hull. Its electronic character as a semiconductor makes it an intriguing subject for research into specialized electronic and magnetic materials, where the interplay between the rare-earth holmium and transition metal molybdenum influences its physical properties.
This compound is notable for its structural diversity, with multiple reported configurations across crystallographic databases. Its stability suggests it can be synthesized and handled reliably, providing a robust platform for investigating the fundamental physics of boron-rich metallic systems.
Key Properties
Cross-validated computational properties for B16Ho4Mo4, 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 B16Ho4Mo4, 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 | 0.58 | 0.0000 | -7.658 | 7.97 |
| — | — | — | — | — | 4.97 |
| Pbam (No. 55) | — | — | — | — | — |
Applications
Where B16Ho4Mo4 is used.
Frequently Asked Questions
Common questions about B16Ho4Mo4, answered from cross-validated data.
What is B16Ho4Mo4?
B16Ho4Mo4 is a thermodynamically stable, semiconducting ternary boride composed of holmium, molybdenum, and boron.
What is B16Ho4Mo4 used for?
What is the band gap of B16Ho4Mo4?
Is B16Ho4Mo4 a metal, semiconductor, or insulator?
Is B16Ho4Mo4 thermodynamically stable?
What is the crystal structure of B16Ho4Mo4?
What is the density of B16Ho4Mo4?
How many polymorphs of B16Ho4Mo4 are known?
What elements does B16Ho4Mo4 contain?
Where does the data for B16Ho4Mo4 come from?
How It Compares
As a unique ternary boride, B16Ho4Mo4 represents a distinct structural arrangement within the broader landscape of rare-earth transition metal borides. Unlike more common binary borides, this compound leverages the specific stoichiometry of holmium, molybdenum, and boron to achieve a stable semiconducting state that is not found in simpler, more frequently studied metal-boron systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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