CrB4
CrB4 is a thermodynamically stable, semiconducting transition-metal boride used in materials science research.
About CrB4
CrB4 is a distinct transition-metal boride characterized by its thermodynamic stability on the convex hull. As a member of this robust class of materials, it exhibits semiconducting electronic behavior, making it a subject of significant interest for researchers exploring hard, chemically resistant substances.
Its structural complexity is highlighted by a high number of reported configurations across major materials databases. This extensive data availability underscores its importance in understanding the fundamental bonding and stability trends within metal-rich boride systems.
Key Properties
Cross-validated computational properties for CrB4, 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 CrB4, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0000 | -9.157 | 4.34 |
| Immm (No. 71) | orthorhombic | 0.13 | 0.0086 | -9.149 | 4.30 |
| Immm (No. 71) | Orthorhombic | — | — | — | 4.25 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.03 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 4.07 |
| Pnnm (No. 58) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.08 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 4.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.92 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.72 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 3.15 |
Applications
Where CrB4 is used.
Frequently Asked Questions
Common questions about CrB4, answered from cross-validated data.
What is CrB4?
CrB4 is a thermodynamically stable, semiconducting transition-metal boride used in materials science research.
What is CrB4 used for?
What is the band gap of CrB4?
Is CrB4 a metal, semiconductor, or insulator?
Is CrB4 thermodynamically stable?
What is the crystal structure of CrB4?
What is the density of CrB4?
How many polymorphs of CrB4 are known?
What elements does CrB4 contain?
Where does the data for CrB4 come from?
How It Compares
Within the transition-metal borides class.
Within the diverse family of transition-metal borides, CrB4 stands out for its specific stoichiometry and stable phase configuration compared to more common binary phases like BW or various molybdenum borides such as BMo2. While many members of this class are metallic, CrB4 is notable for its semiconducting nature, distinguishing it from the typically conductive behavior observed in many other transition-metal boride siblings.
Related Compounds
Other Transition-Metal Borides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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