HfSn2
Hafnium distannide is an intermetallic compound composed of hafnium and tin. It is primarily studied in materials science for its structural properties and potential roles in advanced alloy development.
HfSn
Overview
Key Properties
Cross-validated computational properties for HfSn2, aggregated across 4 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.
Metallic / not reported
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.
0.001 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
67
4 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HfSn2, 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. |
|---|---|---|---|---|---|
| P6222 (No. 180) | hexagonal | 0.00 | 0.0011 | -31.809 | 10.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.44 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.70 |
| P1 (No. 1) | Triclinic | — | — | — | 5.61 |
| P1 (No. 1) | Triclinic | — | — | — | 5.81 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 6.18 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.09 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.60 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.72 |
Uses
Applications
Where HfSn2 is used.
Materials science researchAlloy developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about HfSn2, answered from cross-validated data.
What is HfSn2?
Hafnium distannide is an intermetallic compound composed of hafnium and tin. It is primarily studied in materials science for its structural properties and potential roles in advanced alloy development.
More questions
What is HfSn2 used for?
HfSn2 is used in materials science research, alloy development, and solid-state chemistry studies.
What is the band gap of HfSn2?
HfSn2 is computed to be metallic (no band gap) in the reported DFT structures.
Is HfSn2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfSn2 thermodynamically stable?
HfSn2 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
What is the crystal structure of HfSn2?
The lowest-energy reported polymorph of HfSn2 is hexagonal symmetry, space group P6222 (No. 180).
What is the density of HfSn2?
The computed density of the ground-state structure of HfSn2 is 10.35 g/cm³.
How many polymorphs of HfSn2 are known?
67 structures of HfSn2 are reported across 4 databases, spanning 17 distinct space groups.
What elements does HfSn2 contain?
HfSn2 contains Hf and Sn (2 elements).
Where does the data for HfSn2 come from?
HfSn2 data is cross-referenced from materials_project, mpaloe, jarvis.
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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