HfMn2
HfMn2 is a stable metallic intermetallic compound formed from hafnium and manganese.
About HfMn2
HfMn2 is a metallic intermetallic compound composed of hafnium and manganese. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that is highly favored in its chemical system.
Its metallic character and structural reliability make it a subject of significant interest in materials science. With extensive documentation across multiple databases, it serves as a foundational reference point for understanding the behavior of hafnium-manganese binary systems.
Key Properties
Cross-validated computational properties for HfMn2, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HfMn2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for HfMn2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.255 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -0.272 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -24.969 | 11.25 |
| — | — | 0.00 | 0.0021 | -0.253 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0097 | -0.262 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0148 | -24.955 | 11.20 |
| — | — | 0.00 | 0.3677 | 0.113 | — |
| — | — | 0.00 | 2.9684 | 2.713 | — |
| P-1 (No. 2) | triclinic | — | — | — | 7.28 |
| P1 (No. 1) | triclinic | — | — | — | 4.18 |
| P1 (No. 1) | triclinic | — | — | — | 4.60 |
| P1 (No. 1) | triclinic | — | — | — | 4.79 |
Applications
Where HfMn2 is used.
Frequently Asked Questions
Common questions about HfMn2, answered from cross-validated data.
What is HfMn2?
HfMn2 is a stable metallic intermetallic compound formed from hafnium and manganese.
What is HfMn2 used for?
What is the band gap of HfMn2?
Is HfMn2 a metal, semiconductor, or insulator?
Is HfMn2 thermodynamically stable?
What is the crystal structure of HfMn2?
How many polymorphs of HfMn2 are known?
What elements does HfMn2 contain?
Where does the data for HfMn2 come from?
How It Compares
As a stable intermetallic compound, HfMn2 serves as a primary example of structural stability within its binary system, providing a baseline for investigating the phase behavior and electronic properties of hafnium-based alloys.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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