B16Cr4Pr4
B16Cr4Pr4 is a metastable, semiconducting ternary boride composed of boron, chromium, and praseodymium.
About B16Cr4Pr4
B16Cr4Pr4 is a complex ternary boride featuring a unique arrangement of boron, chromium, and praseodymium atoms. As a semiconducting material, it exhibits distinct electronic behavior that differentiates it from metallic borides, making it a subject of interest for fundamental solid-state research.
Because this compound is classified as metastable, its synthesis requires precise control over processing conditions to stabilize its specific structural configuration. It remains a specialized material within the broader family of rare-earth transition metal borides, with multiple reported structures highlighting its structural complexity.
Key Properties
Cross-validated computational properties for B16Cr4Pr4, 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 B16Cr4Pr4, 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 | 0.34 | 0.0318 | -12.797 | 6.19 |
| — | — | — | — | — | 6.19 |
| Pbam (No. 55) | — | — | — | — | — |
Applications
Where B16Cr4Pr4 is used.
Frequently Asked Questions
Common questions about B16Cr4Pr4, answered from cross-validated data.
What is B16Cr4Pr4?
B16Cr4Pr4 is a metastable, semiconducting ternary boride composed of boron, chromium, and praseodymium.
What is B16Cr4Pr4 used for?
What is the band gap of B16Cr4Pr4?
Is B16Cr4Pr4 a metal, semiconductor, or insulator?
Is B16Cr4Pr4 thermodynamically stable?
What is the crystal structure of B16Cr4Pr4?
What is the density of B16Cr4Pr4?
How many polymorphs of B16Cr4Pr4 are known?
What elements does B16Cr4Pr4 contain?
Where does the data for B16Cr4Pr4 come from?
How It Compares
As a member of the diverse family of ternary borides, B16Cr4Pr4 occupies a niche position due to its semiconducting nature and metastable state. Unlike many highly stable, metallic-like borides that are commonly utilized for their hardness or conductivity, this compound represents a more specialized structural phase that requires careful thermodynamic consideration.
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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