Re2P5
Re2P5 is a stable semiconducting compound composed of rhenium and phosphorus.
About Re2P5
Re2P5 is a distinct rhenium phosphide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust composition within the binary rhenium-phosphorus system.
Its structural complexity is highlighted by the existence of numerous reported configurations across crystallographic databases. This diversity suggests a versatile material platform for researchers investigating the interplay between transition metal bonding and semiconducting behavior in pnictides.
Key Properties
Cross-validated computational properties for Re2P5, aggregated across 2 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 Re2P5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.49 | 0.0000 | -21.837 | 7.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.21 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.99 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.33 |
| R3m (No. 160) | Trigonal | — | — | — | 10.93 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.90 |
| P1 (No. 1) | Triclinic | — | — | — | 6.33 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.82 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.10 |
Applications
Where Re2P5 is used.
Frequently Asked Questions
Common questions about Re2P5, answered from cross-validated data.
What is Re2P5?
Re2P5 is a stable semiconducting compound composed of rhenium and phosphorus.
What is Re2P5 used for?
What is the band gap of Re2P5?
Is Re2P5 a metal, semiconductor, or insulator?
Is Re2P5 thermodynamically stable?
What is the crystal structure of Re2P5?
What is the density of Re2P5?
How many polymorphs of Re2P5 are known?
What elements does Re2P5 contain?
Where does the data for Re2P5 come from?
How It Compares
As a unique binary phosphide, Re2P5 serves as a foundational reference point for understanding the stability and electronic trends of rhenium-rich compounds. Its position on the convex hull establishes it as a primary candidate for further experimental characterization compared to less stable or metastable phases in the broader pnictide family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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