Fe2SnTi
Fe2SnTi has a DFT band gap of 0.05 eV across 3 reported structures in 2 space groups; its lowest-energy polymorph is cubic (Fm-3m (No. 225)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Fe2SnTi, 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.
0.05 eV
Range across DFT structures
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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Fe2SnTi, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.05 | 0.0000 | -7.481 | 8.59 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 8.29 |
Reference
Frequently Asked Questions
Common questions about Fe2SnTi, answered from cross-validated data.
What is the band gap of Fe2SnTi?
Fe2SnTi has a DFT-computed band gap of 0.05 eV across 3 reported structures.
More questions
Is Fe2SnTi a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Fe2SnTi thermodynamically stable?
Yes — Fe2SnTi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Fe2SnTi?
The lowest-energy reported polymorph of Fe2SnTi is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Fe2SnTi?
The computed density of the ground-state structure of Fe2SnTi is 8.59 g/cm³.
How many polymorphs of Fe2SnTi are known?
3 structures of Fe2SnTi are reported across 3 databases, spanning 2 distinct space groups.
What elements does Fe2SnTi contain?
Fe2SnTi contains Fe, Sn, and Ti (3 elements).
Where does the data for Fe2SnTi come from?
Fe2SnTi data is cross-referenced from materials_project, nomad, omat24.
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Related Compounds
Other Half-Heusler Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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