Hf2Mn1Re1
Hf2Mn1Re1 is a metastable ternary intermetallic compound with semimetallic properties used primarily in fundamental materials research.
About Hf2Mn1Re1
Hf2Mn1Re1 is a complex ternary intermetallic compound composed of hafnium, manganese, and rhenium. It exhibits a semimetallic electronic character, placing it in a unique regime between traditional metals and semiconductors. Due to its position above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize.
This material is primarily of interest in fundamental condensed matter research, where its structural diversity—evidenced by numerous reported configurations—offers a platform for studying phase competition. Its electronic properties make it a subject of investigation for potential specialized applications in quantum materials and advanced alloy development.
Key Properties
Cross-validated computational properties for Hf2Mn1Re1, 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 Hf2Mn1Re1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.07 | 4.2267 | -6.441 | 1.09 |
| P2/m (No. 10) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Hf2Mn1Re1 is used.
Frequently Asked Questions
Common questions about Hf2Mn1Re1, answered from cross-validated data.
What is Hf2Mn1Re1?
Hf2Mn1Re1 is a metastable ternary intermetallic compound with semimetallic properties used primarily in fundamental materials research.
What is Hf2Mn1Re1 used for?
What is the band gap of Hf2Mn1Re1?
Is Hf2Mn1Re1 a metal, semiconductor, or insulator?
Is Hf2Mn1Re1 thermodynamically stable?
What is the crystal structure of Hf2Mn1Re1?
What is the density of Hf2Mn1Re1?
How many polymorphs of Hf2Mn1Re1 are known?
What elements does Hf2Mn1Re1 contain?
Where does the data for Hf2Mn1Re1 come from?
How It Compares
As a member of the transition metal ternary system, Hf2Mn1Re1 serves as an example of the structural complexity inherent in high-entropy or multi-component metallic systems. Without direct structural siblings in this specific ternary space, it stands as a unique case study in how the interplay between hafnium, manganese, and rhenium leads to metastable, near-zero-gap electronic behavior.
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).
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